#DEFINITION	Reference Metabolome for Erythrina variegata
#IDENTTFIER	RefMeta-Erythrina variegata.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Erythrina variegata
#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 Erythrina variegata 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	997.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	1.0
71.01379	21.3
71.58389	0.4
72.99303	1.7
73.02942	6.3
75.00870	8.9
83.01385	2.7
85.02950	17.3
86.00077	1.3
87.00876	5.9
87.04514	2.0
89.02440	2.0
95.01382	2.6
96.95983	1.3
97.02934	0.5
99.00878	13.7
100.01165	0.3
101.02431	3.1
103.04005	1.0
111.00878	0.6
112.01674	0.3
113.02446	8.9
115.00357	0.3
115.04000	1.7
127.03996	0.3
131.03500	4.4
136.78491	0.3
142.14322	0.3
143.03526	2.6
145.05045	0.7
157.01433	0.7
163.06004	0.5
205.07143	1.9
289.18008	0.4
292.70731	0.2
305.34586	0.2
423.32751	0.5
439.14130	0.2
439.35754	1.2
441.37030	0.3
465.37186	1.2
541.38940	0.3
543.40741	0.4
586.28381	0.3
611.42828	0.3
657.43347	0.4
701.42609	0.7
881.98755	0.3
921.52600	0.5
935.54004	0.4
979.51764	1.6
997.53717	100.0
998.54156	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	998.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36282	100.0
73.82674	33.8
73.95119	37.2
87.45139	32.0
99.62544	32.6
194.03412	31.3
357.54553	31.2
399.14233	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	995.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.7
71.01379	16.2
71.55707	0.5
72.99304	1.6
73.02945	4.6
75.00869	8.3
75.88435	0.4
83.01358	1.9
85.02947	11.3
86.00090	1.4
86.24414	0.5
87.00874	8.0
87.04514	2.1
89.02448	3.6
95.01397	3.4
96.96001	2.7
97.02963	0.5
99.00875	9.1
101.02445	6.6
103.04007	0.6
112.01669	0.9
113.02448	8.2
115.03995	1.6
119.03468	1.0
131.03476	3.6
142.76311	0.4
143.03490	3.6
145.05083	0.7
157.01404	0.5
163.06134	1.0
205.07118	1.9
231.33215	0.4
258.86386	0.4
381.26529	0.4
423.62091	0.4
509.36249	1.4
511.38034	0.6
579.40808	1.3
625.40619	2.1
678.29681	0.5
825.53821	0.5
977.51294	1.8
995.52112	100.0
996.52344	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50539	0.0
71.01363	0.2
71.52247	0.1
72.99267	0.0
73.02939	0.1
75.00870	0.1
78.95897	0.1
79.95731	5.2
83.01329	0.0
85.02941	0.1
87.00859	0.1
94.98081	0.0
95.97566	0.1
96.96004	100.0
97.95954	0.2
99.00904	0.1
113.02431	0.1
143.03502	0.0
179.01093	0.0
272.00818	0.0
275.30991	0.0
449.49805	0.0
584.42664	0.0
895.50238	0.7
896.51263	0.1
933.46582	0.1
993.48193	0.7
994.48749	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	988.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	0.9
69.03438	0.3
70.71294	0.2
70.71643	0.5
71.01381	13.2
72.99313	1.1
73.02555	0.2
73.02940	3.4
75.00867	5.4
83.01378	1.9
85.02454	0.4
85.02950	8.2
86.00082	0.8
87.00871	4.0
87.04507	1.4
89.01938	0.2
89.02441	3.3
95.01374	2.2
96.95990	0.3
97.02939	0.5
99.00872	5.9
101.02439	5.9
103.04006	1.1
111.00801	0.3
111.56252	0.2
112.01679	0.3
113.02445	6.2
115.03992	1.5
119.03505	1.1
125.02402	0.6
131.03503	2.8
143.02408	0.3
143.03487	3.6
145.05032	0.6
157.01376	0.6
159.02921	0.3
161.04523	0.6
163.06133	1.2
188.12529	0.2
205.07159	2.1
296.42593	0.2
321.52048	0.2
439.35825	2.1
509.39951	2.0
511.37274	0.2
553.39142	0.4
907.50372	0.8
925.51581	100.0
926.51849	11.1
988.50989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	1.3
71.55592	0.2
73.02943	1.6
83.01392	0.5
85.02933	0.2
89.02448	0.3
93.03455	0.3
95.01358	0.2
100.03986	0.1
101.02429	1.0
108.02190	0.2
109.02947	0.2
113.02457	0.6
121.02943	2.5
122.03757	0.9
123.00903	0.8
123.04536	0.5
124.01668	0.5
131.05002	0.2
134.03732	0.2
135.04538	0.4
136.01701	0.2
136.05309	0.6
137.02434	0.7
137.06091	0.3
138.03246	0.2
143.05023	0.6
145.02957	0.4
145.06523	0.2
146.03712	0.4
147.04503	1.3
149.02443	1.3
149.04494	0.1
149.06154	0.2
150.03226	4.3
151.03973	0.4
153.05580	0.4
158.03728	1.9
159.04507	6.3
160.05292	20.1
161.06075	5.9
162.03172	0.2
162.06505	0.1
163.04013	3.8
164.04782	4.5
165.05309	0.2
168.04308	0.3
173.06067	2.8
174.06767	0.2
175.07629	20.6
176.04794	0.4
176.07988	0.5
177.05548	5.3
178.06334	6.4
179.07013	0.3
185.49199	0.1
189.05579	0.1
191.07112	0.4
192.07901	1.1
193.05063	0.2
193.08690	2.5
194.26671	0.1
203.05565	0.2
269.04324	0.2
281.80396	0.1
283.10284	0.1
297.07651	0.2
297.11206	0.1
298.08185	0.1
298.11957	0.2
299.08902	0.1
299.12924	0.3
309.07678	0.1
311.08893	0.1
314.11633	0.9
320.40765	0.1
324.09814	0.2
325.10165	0.2
327.12399	0.5
327.42825	0.1
328.12653	0.6
329.13913	100.0
330.10315	0.2
330.14236	4.3
339.12427	0.4
340.12592	0.4
341.13541	0.3
359.14984	20.5
360.15363	1.0
362.43869	0.2
404.21341	0.1
450.62051	0.1
503.19138	0.8
528.00372	0.2
563.21381	2.5
564.21735	0.2
774.61530	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	988.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	2.3
71.02818	0.7
73.02947	2.6
73.74556	0.3
83.01356	1.1
85.02949	0.6
89.02431	0.4
89.63876	0.2
96.36410	0.3
101.02453	1.9
109.02954	0.3
113.02405	1.0
119.03462	0.4
121.02952	2.6
131.03471	0.3
135.04474	0.5
145.02902	0.9
147.04495	0.9
156.40074	0.3
161.04527	0.4
163.03954	1.2
175.04002	4.0
176.04633	0.3
179.07150	0.4
190.06320	1.8
203.07130	0.7
209.06030	0.3
219.08092	0.4
221.06097	0.6
222.05275	2.9
225.09422	0.3
228.23004	0.3
233.06075	0.5
235.07533	0.8
237.09134	0.5
239.07083	0.8
240.04193	0.5
241.04904	0.4
241.08781	0.6
245.06168	0.5
247.07561	0.5
251.07266	1.3
253.05093	0.4
253.08632	1.9
261.05603	1.2
262.06406	0.5
263.07098	3.1
264.07880	0.5
265.08630	0.6
267.06580	2.3
268.07291	0.7
268.10858	0.5
269.05060	0.4
269.08206	4.1
270.08597	0.4
275.07162	0.6
276.07840	0.4
278.06161	0.4
278.09393	0.9
279.06635	3.8
279.09763	0.6
280.07239	0.9
281.08145	7.6
282.08658	0.5
283.09674	1.7
291.06708	2.5
292.07443	1.0
293.08185	3.2
294.08932	3.5
295.06009	0.4
295.09647	0.7
296.06979	0.5
296.10532	1.7
297.07687	21.1
297.11093	1.8
298.07977	1.0
307.09799	1.4
308.07007	0.5
308.10547	3.1
309.07678	29.1
309.11301	11.4
310.08029	1.7
310.11789	0.8
311.05682	0.7
311.09219	1.2
312.10019	21.0
313.10315	1.1
323.09232	7.2
324.09998	25.9
325.10342	1.3
327.12347	100.0
328.12643	5.1
339.12338	82.6
340.12726	4.5
351.05713	0.8
357.13403	2.3
359.51682	0.3
369.13416	0.5
381.13501	0.5
428.70230	0.3
473.11221	0.5
605.14893	0.4
760.45886	0.4
839.23010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	1.4
69.03460	0.5
70.32778	1.1
71.01378	15.1
72.01700	0.3
72.99298	1.0
73.02938	4.1
75.00869	10.9
75.01302	0.6
81.03450	1.1
83.01375	2.5
85.02944	16.4
86.00071	0.3
87.00870	3.7
87.04504	0.7
89.02450	2.0
95.01396	2.1
96.95995	0.8
97.02952	0.8
98.20625	0.4
99.00869	10.4
99.04484	0.8
101.02431	3.3
103.04007	0.7
103.07055	0.3
109.02930	0.4
111.00908	0.5
113.02446	5.9
115.00298	0.5
115.03988	0.9
125.02390	0.6
127.04004	1.1
131.03499	2.8
143.03477	1.6
145.05061	0.9
157.01447	1.1
187.06187	0.6
197.41743	0.4
205.07153	2.7
209.32237	0.3
227.54439	0.3
229.13443	0.3
230.57344	0.3
247.08090	0.7
338.53976	0.4
351.51288	0.3
438.00607	0.3
439.35776	1.8
460.80930	0.3
509.40271	1.4
535.48022	0.3
554.43005	0.3
833.50592	0.8
895.49310	1.4
919.51288	0.5
937.51605	100.0
938.51910	13.5
938.70752	0.7
981.51929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99817	2.9
71.01383	43.6
71.56497	1.7
72.99284	2.7
73.02934	7.2
75.00877	14.4
78.91866	2.4
80.91693	12.7
83.01378	7.8
85.02953	30.5
87.00867	6.4
87.04519	2.7
89.02467	3.9
95.01379	2.8
96.96021	3.2
99.00882	17.4
101.02439	5.1
112.01681	3.3
113.02441	15.3
115.00372	1.6
115.04043	1.8
131.03561	8.1
143.03500	5.6
205.07164	1.7
269.00922	1.6
439.35699	3.5
457.53842	1.4
509.40189	2.0
599.39795	9.9
621.37195	3.3
665.36456	1.8
681.39661	3.6
771.43066	11.7
828.47583	1.7
895.50549	57.4
895.68109	3.1
896.50439	6.6
917.48761	100.0
918.49036	10.6
940.47992	1.7
961.47382	14.9
977.50830	24.2
978.50226	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	977.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18689	0.6
71.01005	0.1
71.01379	1.6
73.02946	0.6
77.37949	0.1
83.01377	0.2
85.02953	0.8
87.00879	0.1
89.02448	0.2
91.01881	0.3
95.01364	0.2
99.00864	0.2
101.02433	1.1
113.02446	0.7
125.02463	0.1
131.51302	0.1
132.02190	0.2
133.02956	0.4
135.00868	0.5
143.03444	0.1
147.11876	0.1
153.01936	0.1
159.02971	0.2
161.04523	0.6
169.06586	0.2
179.05600	0.1
180.05826	0.2
181.06570	0.2
182.03726	0.1
183.04578	0.1
195.04436	0.1
196.05322	0.4
197.06137	0.5
203.05580	0.1
208.05235	0.6
209.06056	0.9
211.03889	0.1
223.03978	0.4
224.04701	1.2
225.05536	0.8
227.16588	0.1
237.05525	0.3
249.05473	0.1
251.03520	0.2
252.04254	1.8
253.05029	100.0
254.05365	5.1
254.09270	0.1
255.05582	0.5
266.05771	0.1
267.06549	0.1
275.07037	0.2
281.04529	0.2
285.04074	0.1
295.06091	1.5
337.07050	0.1
371.20688	1.2
389.21768	2.7
390.22000	0.1
431.22827	3.3
432.23224	0.2
457.11374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99804	0.1
69.46358	0.4
71.01373	1.0
73.02938	0.8
75.79563	0.1
81.03426	0.1
83.01381	0.4
85.02941	0.2
87.00857	0.0
89.00327	0.1
89.02423	0.5
91.01881	0.3
95.01385	0.1
98.19901	0.1
101.02432	0.9
107.01386	0.6
113.02441	0.5
117.03490	0.2
119.03513	0.2
121.02930	0.1
123.04510	0.1
131.03479	0.1
132.02127	0.3
133.02948	1.9
133.60959	0.1
134.03577	0.1
135.00871	0.3
135.04510	0.4
143.03394	0.1
145.02811	0.1
149.02451	0.1
149.04533	0.2
151.00316	0.2
155.05037	0.1
156.05806	0.1
157.02881	0.3
158.03828	0.1
159.04514	0.8
161.02460	0.2
161.04509	0.4
169.06538	0.4
171.04541	0.2
173.02373	0.1
176.01181	0.1
179.05620	0.2
180.05779	0.4
181.06567	0.9
182.03758	0.1
183.04480	0.6
195.04439	0.1
196.05263	0.4
197.06058	0.6
199.03989	0.3
201.05551	0.8
209.06073	0.2
211.03987	0.2
212.04681	0.1
213.05568	0.3
221.06731	0.1
223.04042	0.1
224.04768	0.9
225.05525	0.9
226.02794	0.1
226.05859	0.1
227.03462	0.3
237.05510	0.1
237.07684	0.1
239.03438	0.4
239.07188	0.1
240.04233	0.4
241.05026	0.3
252.04265	0.1
253.05069	0.7
255.06561	0.1
265.05014	0.1
267.02905	0.5
268.01474	0.1
268.03732	6.7
269.04510	100.0
270.04852	4.7
271.06006	0.1
281.04523	0.1
282.05341	0.1
283.06052	0.4
291.06619	0.8
293.04608	0.1
297.03876	0.1
311.05569	7.1
312.05756	0.4
335.05435	0.4
353.06705	0.5
371.20749	0.1
383.07660	2.8
384.07944	0.3
392.16125	0.1
413.08881	0.1
413.21738	0.5
473.10471	0.1
723.63947	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	975.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07150	0.1
71.01384	0.8
73.02939	0.4
81.06170	0.1
83.01387	0.1
85.02961	0.4
89.02415	0.3
91.01877	0.4
95.01365	0.1
101.02434	0.7
113.02448	0.4
117.03443	0.2
119.03472	0.1
123.08179	0.2
132.02190	0.2
133.02968	0.5
135.00870	0.5
137.09711	0.1
140.33211	0.1
149.04509	0.1
153.01988	0.1
161.04547	0.3
163.11313	0.2
169.06564	0.1
180.05835	0.2
181.06413	0.2
183.04314	0.1
189.12746	0.4
195.04475	0.1
196.05304	0.3
197.06053	0.6
203.05800	0.1
207.13910	0.7
208.05267	0.6
209.06078	1.1
210.06537	0.1
211.03896	0.1
221.06288	0.1
223.04030	0.4
224.04752	1.4
225.05537	0.8
225.15018	0.4
237.05437	0.4
251.03357	0.1
252.04280	1.5
253.05038	100.0
254.05371	4.5
267.06516	0.1
275.07175	0.2
281.04541	0.2
295.06113	1.3
319.06256	0.1
369.19156	1.6
387.20117	0.9
429.21219	1.8
430.21719	0.1
469.07489	0.1
473.10529	0.1
736.33777	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	967.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	0.7
71.01380	8.0
71.55286	0.4
71.55724	0.4
73.02946	1.2
81.03461	0.4
83.01366	0.7
85.02952	1.3
87.00863	1.8
89.02442	5.8
95.01392	0.6
97.02961	1.0
99.00888	0.4
101.02441	5.7
111.08191	0.6
113.02438	3.4
113.45936	0.3
116.33920	0.3
119.03458	1.7
121.10225	0.6
125.02446	1.9
143.03496	0.8
143.99020	0.3
153.20509	0.3
161.04559	1.6
165.12872	0.4
167.10779	0.3
171.10229	1.9
179.05577	2.1
179.14357	0.8
181.12325	0.7
183.13860	1.3
195.13904	6.7
196.14531	0.4
203.10484	0.6
205.12369	0.9
219.10065	0.5
221.06580	0.6
223.13295	7.9
224.13707	0.3
225.14732	0.4
228.13631	0.7
235.07898	1.7
237.11041	1.7
239.00412	0.3
249.11057	14.1
250.11353	0.7
253.09204	0.3
256.13177	1.5
263.12570	0.4
267.12128	3.0
267.25189	0.3
275.20123	6.6
277.21616	0.5
287.07675	0.5
293.21207	100.0
294.21542	4.6
305.08743	0.7
309.20654	0.4
317.21194	0.4
379.12408	0.9
397.13486	16.2
398.13797	0.7
415.14569	9.9
416.14941	0.6
569.42188	1.6
607.25610	0.6
629.24255	2.7
647.25092	2.1
673.34467	1.4
691.35339	3.7
692.36072	0.5
885.48096	0.5
892.29559	0.4
907.46552	0.5
965.20178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01347	0.3
73.06702	0.1
82.06323	0.1
89.23135	0.1
89.23773	0.1
91.01873	0.4
101.02450	0.2
102.29681	0.1
117.03458	0.1
118.64918	0.1
121.02889	0.2
127.69874	0.1
132.02170	0.2
133.02921	1.0
134.03738	0.3
135.00851	0.6
147.04453	0.2
161.02412	0.2
163.00336	0.4
165.01944	0.2
169.06471	0.2
180.05789	0.2
181.06616	0.2
195.04385	0.2
196.05293	0.3
197.06027	0.5
208.05295	0.6
209.06032	0.9
211.03886	0.2
216.10512	0.2
223.03967	0.5
224.04742	1.4
225.05560	0.7
229.41814	0.1
229.71077	0.2
237.05475	0.6
241.04987	0.2
245.27226	0.2
251.03358	0.2
252.04280	1.3
253.05031	100.0
254.05374	4.6
255.02968	0.6
255.05437	0.1
267.06598	0.2
269.04498	0.5
270.05139	0.3
275.06995	0.3
281.04617	0.2
283.02521	0.3
284.03238	0.6
285.04022	4.2
286.04285	0.2
295.06165	1.5
296.03275	0.2
297.03992	3.6
297.07196	0.3
298.04788	19.9
299.05347	1.5
309.03979	1.2
310.04736	0.7
311.05530	0.5
312.06454	0.3
313.03732	0.2
313.07062	1.4
314.07501	0.2
319.06381	0.2
325.03543	0.4
325.07120	0.2
326.04260	0.9
327.04987	0.2
330.03763	0.6
337.07355	0.2
338.04166	0.2
339.05014	0.3
341.06613	18.8
342.06979	1.0
344.05411	0.3
351.59692	0.1
353.06595	1.1
356.05182	0.8
371.07666	5.5
372.08026	0.4
383.07645	0.6
385.09412	0.2
413.08865	0.2
443.10117	0.2
461.10950	31.8
462.11316	1.9
614.90338	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	1.7
72.99303	0.3
73.02941	0.3
75.00481	0.2
75.00906	0.3
77.03979	1.0
79.01904	1.1
82.88156	0.2
83.01408	0.4
85.02949	2.7
86.94299	0.2
87.00863	0.4
89.02371	0.2
89.03979	0.2
93.03448	1.3
95.01393	1.0
96.96012	0.4
99.00885	0.9
101.02445	0.5
103.00349	0.3
105.03489	0.4
107.01408	0.4
109.03062	0.2
113.02447	4.5
115.00406	0.2
117.03464	6.7
119.05011	0.7
121.02946	1.3
129.01945	0.3
133.02940	0.3
135.04527	0.8
145.02946	0.3
147.04535	0.4
149.02432	0.7
151.00415	0.3
159.04530	1.2
161.02429	3.0
163.00371	0.7
163.04013	1.0
165.01913	1.6
174.27226	0.2
175.00337	0.6
175.02501	2.3
175.03900	0.3
177.01901	0.3
180.05742	0.3
181.06613	0.2
182.03799	0.5
183.04506	1.4
183.08128	0.9
189.01868	0.2
193.01524	0.2
194.07318	0.2
195.04544	0.2
195.08173	0.3
196.05223	0.5
197.06079	1.3
201.05553	0.3
203.03539	0.2
209.06172	0.3
210.06963	0.5
211.07608	1.0
211.09418	0.2
217.93893	0.2
224.04787	0.7
225.05556	0.6
227.03441	0.4
227.07114	0.3
237.05484	0.5
239.07063	1.7
241.05103	0.3
251.07248	0.3
253.05025	1.1
254.05881	0.6
267.06546	0.3
268.03839	0.5
269.04535	25.5
270.05005	1.1
279.06558	0.5
281.04538	7.7
282.05289	2.2
283.06100	46.8
284.06424	2.4
293.04453	2.9
295.06076	6.5
307.05838	0.3
308.03412	0.3
309.04282	1.3
309.07480	0.3
311.05588	83.8
312.05939	4.4
314.04318	2.2
321.04175	1.2
321.07504	0.3
323.05579	13.3
324.05881	0.7
325.07083	0.4
339.05127	0.6
341.06631	21.3
342.06946	1.0
353.06671	1.9
360.15366	0.3
371.07285	0.2
377.06561	0.6
395.07657	1.7
413.08694	4.7
414.09003	0.4
431.09796	5.8
432.10376	0.3
445.07764	5.5
446.08105	0.3
473.10855	100.0
474.11230	7.3
517.10004	0.4
875.96631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5385
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.3
71.01382	12.5
72.99307	0.9
73.02958	1.9
83.01385	1.8
85.02940	3.0
87.00864	3.2
89.01931	1.0
89.02449	14.4
93.01960	0.8
95.01379	1.3
97.02942	1.9
99.00851	1.1
101.02441	10.9
113.02444	7.8
119.03514	2.3
125.02471	4.7
141.01707	7.5
142.23517	0.7
143.03551	1.6
149.34642	0.7
161.04573	3.7
174.48163	0.7
179.05594	2.7
183.13881	6.3
193.12292	1.7
199.06104	0.7
211.13385	100.0
212.13794	2.3
217.07176	0.8
221.06622	1.1
229.26205	0.8
235.08185	4.4
245.34015	0.7
259.08289	0.7
277.21716	43.9
278.22040	2.4
287.07703	1.2
305.08786	2.1
323.09894	0.8
328.37292	0.7
379.12433	10.6
397.13498	32.7
398.13846	1.5
415.14584	7.2
591.26508	11.4
609.27789	10.6
657.35126	2.3
675.35730	4.3
869.49011	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	958.501
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01871	0.2
68.99792	1.2
69.03423	0.7
70.87695	0.5
71.01379	17.5
72.99301	1.4
73.02940	4.7
75.00465	0.5
75.00870	7.6
80.86863	0.3
82.95399	0.3
83.01384	2.5
85.02947	13.4
86.00079	0.8
87.00872	4.2
87.04496	1.1
89.02444	2.5
95.01389	1.4
96.96005	1.0
99.00266	0.5
99.00876	7.3
101.02458	2.1
103.04013	1.2
111.00845	0.4
113.02443	6.2
115.00337	0.3
115.03999	1.5
119.03488	0.3
127.03926	0.2
131.02562	0.4
131.03500	5.1
143.03487	3.5
145.05031	0.5
157.01440	0.3
163.06076	0.6
205.07155	2.2
226.12914	0.2
247.08243	0.3
439.35736	1.9
509.39743	1.6
599.38629	0.3
895.50531	100.0
896.50867	12.7
958.48779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
68.28780	0.9
68.99806	2.2
69.49948	5.2
71.01007	1.4
71.01382	24.4
71.49805	0.9
72.06570	0.9
72.99290	2.8
73.02956	6.5
75.00867	8.5
76.70838	1.0
83.01379	2.8
83.05029	1.5
85.02942	15.5
86.00089	1.8
87.00879	8.7
87.04531	1.9
88.32026	1.1
89.02463	4.3
95.01360	4.3
95.19169	1.1
96.96000	4.0
97.02930	1.1
99.00262	1.3
99.00874	17.5
101.02431	6.0
103.04023	1.5
112.01669	1.2
113.02449	11.1
115.04004	1.9
119.03506	1.3
125.02386	1.7
131.03487	3.1
142.40100	0.8
142.90504	0.9
143.03464	4.4
157.01437	0.9
161.04530	1.3
205.07196	1.8
269.08035	1.1
423.32559	1.3
467.31512	1.2
469.33157	3.4
473.95520	0.9
537.35730	4.5
538.41986	0.8
538.49652	1.3
583.35986	6.5
601.37793	1.1
627.35083	6.1
745.41980	1.2
878.79395	0.9
935.46509	1.8
953.47406	100.0
954.29163	1.4
954.47583	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	953.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99797	2.1
69.03426	1.6
71.01378	28.5
71.55848	2.4
72.99306	2.1
73.02935	8.2
74.81860	1.6
75.00878	9.7
76.11876	1.7
79.01061	1.6
81.32549	1.6
83.01376	4.8
83.05019	31.9
84.01068	1.6
85.02941	20.6
86.00085	1.7
87.00880	8.3
87.04520	2.4
89.02459	8.1
92.51386	1.5
95.01371	5.5
96.75275	1.6
96.96008	9.6
97.02946	1.8
99.00869	14.2
101.02434	11.3
113.02443	12.3
115.03963	1.8
119.03441	3.0
125.02460	2.3
131.03464	4.7
143.03471	6.2
161.04562	2.0
205.07185	1.6
255.06532	2.6
376.55008	1.5
423.32983	2.2
431.73148	1.6
918.00079	1.8
953.47455	100.0
954.47534	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	6.6
71.56578	0.2
71.56983	0.3
72.99305	0.8
73.02937	0.3
83.01389	0.6
85.02951	1.7
87.00846	0.2
89.02444	6.2
95.01345	0.4
97.06563	0.2
99.03896	0.3
99.04511	3.7
101.02444	4.0
107.01373	0.5
109.06577	0.3
113.02433	2.4
119.03502	1.9
121.06577	0.3
125.02387	0.4
132.63000	0.2
133.02930	0.6
134.55431	0.2
135.04495	1.2
149.02394	0.3
151.00362	1.9
163.11230	0.3
165.12831	2.2
175.04047	0.2
179.05620	0.2
189.12761	0.4
191.10757	0.2
197.05972	0.3
207.13879	5.6
208.05379	0.3
209.06192	0.3
209.11807	13.6
210.12111	0.3
225.05524	0.3
225.14938	5.6
226.15303	0.3
227.12683	0.4
237.05540	0.2
251.12869	3.2
252.04247	0.4
253.05031	26.3
254.05350	2.1
255.05635	0.3
269.13916	29.2
270.14215	1.2
284.03229	1.3
285.03943	3.7
286.04349	2.0
287.05563	2.9
287.15067	0.5
295.05768	0.3
297.04248	0.2
298.04483	0.4
299.05496	0.2
327.05164	1.3
328.05460	0.5
329.05878	0.2
341.60471	0.2
357.06140	0.2
417.08118	0.4
431.19165	0.4
447.09302	3.0
448.09601	3.0
449.10001	3.4
449.20227	100.0
450.20581	6.2
458.43924	0.2
461.10596	0.2
768.16290	0.2
865.79181	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	2.3
69.03443	1.3
70.93561	0.9
71.01381	34.3
71.55361	1.3
72.99290	3.0
73.02941	8.8
73.76891	0.9
75.00873	12.2
83.01402	4.6
85.02950	22.8
85.72704	0.9
86.00101	2.2
87.00866	9.5
87.04504	3.0
89.02444	7.1
95.01379	6.2
96.95996	2.8
99.00874	15.6
100.01228	1.0
101.02444	10.7
103.04009	1.7
111.03597	0.9
113.02434	12.2
115.04005	1.9
119.03529	2.1
125.02410	1.3
131.03464	6.2
143.03471	5.0
145.05045	1.2
152.99553	1.1
157.01401	1.2
163.06111	1.7
205.07097	3.2
206.31937	1.0
214.68156	0.9
243.02525	1.0
277.21661	1.6
327.17914	1.2
465.37286	4.1
479.51312	1.1
481.25378	2.3
535.41516	3.1
558.58588	1.0
571.79163	1.0
617.07141	1.3
690.67578	1.0
838.01160	1.3
914.19037	1.0
933.52307	2.8
951.53223	100.0
952.53595	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	949.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	24.6
70.05390	1.4
70.05800	2.2
71.01382	15.0
72.99310	1.2
73.02946	6.2
75.00864	1.2
79.01881	8.2
80.43808	0.6
81.03465	1.3
82.20313	0.6
83.01386	2.7
85.02945	8.8
87.00880	1.0
89.02441	4.3
93.03438	0.8
95.01379	9.8
96.96010	4.5
97.02946	14.7
99.00875	2.2
101.02435	9.8
107.01380	18.3
108.02173	23.5
108.02910	1.2
109.02950	39.1
110.03292	0.8
113.02444	6.5
119.03506	2.8
119.04978	0.9
121.02940	7.9
123.00868	10.3
125.02444	23.1
133.03029	1.0
134.03749	1.7
135.00887	4.0
135.04532	1.3
136.01643	2.3
137.02440	9.2
143.03511	1.6
145.02910	1.5
146.03717	0.6
147.04521	1.4
147.84109	0.6
149.02397	6.5
149.04332	0.6
150.03116	0.9
151.00366	20.5
151.03998	1.5
152.01080	1.4
153.01927	87.8
154.02289	1.7
159.04541	0.7
160.01643	2.1
161.02348	1.3
161.04526	3.3
163.04019	2.0
164.04674	0.7
165.01854	0.7
165.05595	0.8
165.12834	3.5
167.03506	2.0
169.06535	0.7
175.02638	0.8
175.03992	3.0
176.04395	1.1
177.01891	4.3
179.03462	0.8
179.05615	1.1
191.03517	1.2
191.14345	1.4
193.05072	0.6
195.02902	1.8
195.06601	0.7
197.06059	7.5
203.05586	1.7
204.05670	0.6
205.04939	0.7
207.13853	1.4
209.15460	2.6
213.05644	1.2
219.02887	1.0
242.03397	0.9
242.05836	14.0
243.06589	21.9
244.06778	0.8
251.44449	0.6
253.05191	0.7
269.04489	2.9
279.05081	44.0
280.05441	2.1
285.07538	0.7
293.09198	0.7
297.06125	29.0
298.06311	1.3
299.06403	0.7
299.39322	0.6
311.05707	1.3
327.05240	1.4
327.18173	0.6
339.07169	100.0
340.07471	6.5
341.07437	1.2
353.19751	1.2
371.20648	6.4
372.21045	0.8
413.21790	14.9
414.21927	1.0
447.12979	35.2
448.13223	2.7
473.10690	1.2
752.32098	1.1
753.32507	1.5
756.27112	0.7
792.94482	0.9
840.32043	0.9
888.99091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
67.50136	0.6
71.01375	3.2
73.02943	2.2
79.50710	0.6
83.01374	0.7
85.02910	1.4
89.02457	1.2
93.03468	0.7
96.96023	0.8
101.02433	2.1
105.55869	0.6
113.02448	1.2
117.03468	2.4
119.03510	0.6
121.70332	0.6
133.02956	1.6
135.04494	1.5
159.04486	0.7
161.02467	2.0
161.04453	0.9
163.36076	0.7
175.03992	1.4
177.01854	1.0
177.05617	0.8
190.02548	0.7
191.03418	0.8
191.64212	0.7
203.03526	0.9
205.05060	0.8
207.03014	2.2
249.03966	1.1
251.07217	0.7
253.05011	2.7
267.06686	0.8
269.04395	1.6
281.04700	0.8
282.05185	1.0
283.06067	6.2
285.04007	0.7
293.04446	0.9
295.06186	5.3
296.06882	1.4
297.07712	8.2
299.05505	1.2
307.06192	1.3
311.05600	9.0
314.04358	0.7
322.04947	0.8
323.05597	5.7
325.07086	3.3
327.05002	6.7
328.05905	2.1
335.05667	1.7
337.07150	2.4
339.05075	2.0
341.06537	1.3
351.05136	4.9
353.06650	22.0
354.06973	1.4
356.05087	1.2
357.06024	2.3
363.05127	0.9
365.06516	1.6
367.04507	2.1
369.06110	15.6
370.06396	1.8
381.06049	3.0
383.07642	9.0
387.20282	1.1
395.07623	1.1
397.05298	0.8
399.02448	1.0
399.07245	8.9
413.08160	0.9
429.21143	1.3
430.21573	0.8
431.09778	1.5
437.08069	0.6
441.08389	0.7
447.09180	6.0
455.09872	1.4
457.11282	0.7
471.09421	1.9
473.10760	6.4
473.16602	1.1
487.08701	1.3
489.10349	12.6
507.10977	0.9
513.36157	0.8
557.12964	1.8
575.14032	100.0
576.14453	7.3
591.13702	1.9
592.13788	2.4
593.15051	55.3
594.15070	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	949.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57829	0.6
83.01390	0.6
89.02463	0.3
91.10516	0.3
96.95999	0.6
97.02954	0.3
102.15872	0.3
107.01392	1.1
108.02171	0.2
109.02945	0.7
117.03472	0.5
121.02969	0.7
121.89454	0.3
125.02425	0.6
132.02156	0.3
133.02950	4.5
134.03731	0.5
135.00804	0.3
135.04483	0.6
142.98329	0.2
147.04543	0.5
149.02399	0.9
151.00369	1.8
161.02493	0.4
163.00220	0.5
163.03979	0.8
165.02039	0.4
173.02412	0.3
175.04015	1.4
177.01859	0.3
191.03467	0.4
191.76820	0.3
197.06058	0.4
199.04004	1.1
201.01993	0.5
209.06154	0.4
211.04044	0.6
213.05524	0.5
217.05006	0.6
224.04794	0.5
227.03436	0.8
240.04150	0.4
241.04988	0.7
249.55278	0.3
252.04248	0.8
253.05049	40.9
254.05341	2.4
255.02818	0.3
256.03699	1.7
269.04599	0.6
279.06546	0.3
281.04657	0.5
283.02600	0.4
283.06113	0.8
283.99960	0.4
284.03250	29.3
285.04034	63.2
286.04431	2.6
295.06104	0.5
297.04041	3.9
298.04813	2.6
299.05539	4.1
309.04160	0.3
311.05640	2.2
325.03403	0.4
327.05078	25.7
328.05356	1.2
339.05139	1.3
357.06158	8.1
358.06299	0.5
369.06027	0.6
393.06448	0.3
413.08646	0.5
429.08383	0.4
429.21332	0.5
430.21561	0.3
431.23123	0.3
447.09290	100.0
448.09647	7.0
473.10971	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	939.6419
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33379	3.8
71.01376	3.2
73.02935	1.6
83.01397	0.9
83.05032	0.7
89.02458	0.9
89.48855	0.5
93.03473	0.9
96.95999	4.6
101.02415	2.0
113.02415	1.6
119.03490	0.6
125.02387	0.5
135.04517	0.7
137.02383	1.0
149.06079	0.5
150.03223	1.0
161.04529	1.6
165.05492	0.7
193.04999	0.6
251.60693	0.5
266.18307	0.5
289.11133	1.1
431.22742	0.8
436.10782	0.6
511.50064	0.4
554.57843	0.5
643.25311	0.5
659.14618	0.5
664.23926	0.6
903.66339	2.6
939.64117	100.0
940.64325	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	947.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37907	0.6
69.03464	1.3
71.01382	47.7
72.99295	2.0
73.02548	1.4
73.02945	23.8
75.00867	1.0
76.97754	0.6
79.57578	0.7
83.01389	7.1
83.05010	1.0
85.02949	15.7
87.00863	3.4
89.02441	26.5
94.15328	0.7
95.01388	4.4
99.00875	3.0
100.55496	0.7
101.02439	32.4
102.02787	0.8
112.23483	0.7
113.02447	22.5
119.03496	11.0
125.02446	1.5
131.03482	1.7
132.39754	0.8
137.09782	1.7
143.03476	3.4
147.11786	0.7
149.04538	2.7
153.09224	1.2
159.03056	1.3
161.04555	12.5
165.09084	1.3
169.57849	0.7
173.09692	1.5
179.05621	3.2
184.98010	0.7
187.11191	0.8
189.12831	18.0
203.05576	1.6
203.31644	0.7
205.12338	1.6
207.13879	3.6
221.06599	1.9
223.13377	7.5
224.13763	1.7
225.14856	0.8
240.05397	0.9
324.54205	0.7
369.14523	1.2
369.19138	20.1
370.19580	0.8
387.20221	32.2
388.20532	1.9
412.66953	0.8
429.21255	100.0
430.21747	6.6
431.09988	1.0
431.23471	1.0
624.82037	0.7
649.85645	0.7
715.98358	0.8
937.80078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	0.8
70.97270	1.0
71.01377	50.8
72.99310	2.9
73.02943	22.9
75.00851	1.1
83.01379	6.8
85.02946	16.0
85.49307	0.5
87.00881	3.8
89.02441	31.1
95.01381	3.8
97.02946	1.1
99.00872	2.0
101.02435	34.4
113.02441	22.7
119.03493	10.1
125.02444	1.5
131.03502	2.3
137.09685	0.9
143.03481	3.5
149.04556	2.5
153.09186	2.8
154.09515	0.7
157.06592	0.6
158.24670	0.5
159.02972	1.7
161.04544	13.6
163.11365	0.6
173.09656	1.7
175.00345	0.8
179.05562	3.6
181.12454	0.5
189.12840	17.9
190.02695	1.7
203.05519	1.1
205.05016	2.5
205.12231	0.9
207.13870	4.5
216.80013	0.5
223.06104	0.8
223.13235	0.8
225.11261	0.6
225.14948	1.6
253.05003	1.6
312.06512	0.6
351.18207	1.0
369.06094	1.0
369.19135	15.9
370.19357	1.3
387.20212	39.3
388.20453	2.2
411.20340	0.7
427.19492	1.3
429.21231	100.0
430.21524	6.6
473.16452	4.2
505.09827	1.5
571.65991	0.5
591.13446	6.5
592.14014	1.1
970.51056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70760	4.0
71.01375	44.8
72.99300	3.1
73.02941	18.3
75.00868	1.5
79.95743	1.6
83.01387	9.1
85.02937	18.2
87.00854	3.4
89.02430	12.2
90.20065	1.4
95.01377	3.7
96.95998	18.6
97.02921	1.7
98.95584	4.0
99.00870	3.1
101.01786	2.6
101.02432	33.6
113.02443	22.7
115.00368	2.0
119.03528	7.5
123.04488	1.5
125.02420	3.3
131.03464	2.9
137.02400	1.6
137.09673	1.8
143.03488	4.2
149.04536	4.2
159.02966	4.3
161.04553	17.2
179.10872	2.0
180.85141	1.3
203.05402	1.6
209.15443	3.8
221.06593	3.7
253.04987	4.0
283.06198	2.4
299.05313	1.7
311.05545	1.8
353.19705	17.6
371.16367	2.6
371.20700	29.0
389.21759	17.1
399.09036	1.9
401.21667	2.6
413.21744	73.7
414.22079	5.7
431.10132	3.1
431.22794	100.0
432.23083	5.9
475.21747	3.5
487.05408	1.6
554.41034	1.5
630.26697	1.5
857.20740	1.7
897.37634	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	935.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.5
65.08786	0.1
69.93347	0.1
71.01379	2.1
72.99304	0.3
73.02947	0.2
75.00863	0.6
83.01383	0.5
85.02949	2.3
85.81427	0.1
87.00870	0.7
89.02454	0.4
89.26263	0.1
95.01382	0.7
99.00887	1.2
101.02423	0.1
103.00363	0.3
105.03431	0.2
107.01392	1.3
109.02974	0.6
113.02450	2.2
115.00374	0.3
117.01953	0.3
121.02937	0.5
129.01942	0.2
132.02151	0.2
133.02942	4.7
134.03323	0.2
135.00868	0.2
135.04488	0.2
135.33705	0.1
142.67125	0.1
143.05014	0.1
149.02458	1.3
151.00357	3.0
151.03888	0.2
157.02896	0.1
161.02406	0.1
166.42955	0.1
169.06689	0.2
171.04509	0.4
175.02466	0.4
175.03954	1.8
177.01906	0.3
185.06078	0.4
189.05536	0.1
196.05170	0.1
197.06061	0.3
198.03131	0.2
199.03981	1.7
201.01984	0.6
211.03941	0.2
213.05566	0.3
215.03503	0.3
217.05019	1.1
223.04024	0.1
225.05312	0.2
229.05093	0.2
239.03372	0.1
240.04347	0.2
241.05055	0.8
242.02296	0.2
243.02924	0.5
253.05037	7.3
253.79243	0.1
254.05379	3.7
255.05621	1.2
257.04501	0.4
267.02872	0.2
269.04410	0.3
283.06018	0.4
284.03308	0.5
284.06216	0.2
285.04022	100.0
286.04370	5.6
297.03952	0.3
298.04611	0.2
299.05670	0.3
311.05637	0.7
312.05899	0.4
327.05045	1.2
339.05081	0.2
341.06454	0.2
342.07037	0.1
355.04407	0.2
357.06033	1.0
369.06409	0.2
381.06088	0.5
399.07425	0.2
431.09982	0.9
432.10065	0.8
433.10507	0.3
461.07224	58.0
462.07541	4.2
503.02045	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.7
71.56840	0.4
73.02932	0.3
77.03973	0.9
79.01910	0.5
84.32029	0.2
85.02949	0.2
85.50457	0.2
91.01871	0.5
91.66377	0.2
93.03471	0.9
95.01361	0.3
96.96050	0.3
100.48566	0.2
105.03439	0.4
111.93320	0.2
117.03457	4.4
119.05018	0.5
121.02959	1.1
123.04520	0.2
132.02150	0.2
133.02953	0.4
135.00858	0.5
135.04515	1.2
147.04524	0.4
149.02451	1.3
159.04523	1.0
161.02435	2.3
163.00354	0.3
163.04016	1.9
165.01932	0.4
169.06592	0.3
173.02400	0.3
175.03998	0.2
179.03430	0.3
181.06606	0.2
183.04504	0.5
189.01831	0.3
191.03447	1.0
195.04587	0.2
195.08142	0.2
196.05312	0.6
197.05957	1.3
203.03479	0.6
208.05276	0.5
209.06042	0.9
211.04146	0.3
211.07608	0.3
215.07178	0.4
215.83662	0.2
223.03976	0.4
224.04791	1.4
225.05560	1.3
227.07016	0.3
235.92732	0.2
237.05553	0.7
239.07040	1.3
241.05121	0.3
252.04282	1.6
253.05034	100.0
254.05389	5.6
267.06476	0.3
268.03763	1.5
269.04526	2.0
275.07361	0.2
281.04526	2.9
282.05292	1.7
283.06085	30.2
284.06424	1.6
285.04031	0.2
293.04517	1.5
295.06110	2.9
309.03906	0.6
311.05579	55.1
312.05957	2.7
314.04443	0.6
323.05573	2.9
341.06613	8.5
342.07123	0.6
353.06662	0.5
383.07928	0.2
413.08911	0.4
431.09781	78.3
432.10138	5.2
560.48395	0.2
774.35541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79301	1.3
69.63400	8.4
71.01376	15.7
72.38704	1.3
72.99326	1.5
73.02946	3.1
79.86803	1.2
83.01353	2.0
85.02955	3.2
87.00875	6.8
89.02440	11.9
97.02924	1.7
101.02431	13.9
113.02426	6.7
119.03518	3.6
125.02457	5.6
143.03481	2.9
161.04558	3.6
179.05580	2.6
182.81297	1.5
213.14943	100.0
214.15268	3.5
215.18947	1.3
217.07243	1.5
235.08139	5.5
255.23329	3.0
277.21701	57.9
278.21982	3.0
305.08957	2.0
359.67667	1.4
379.12433	13.8
397.13486	43.0
398.13812	1.5
415.14520	6.5
483.27216	3.4
593.27856	2.8
611.29187	5.6
675.35919	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00301	0.3
71.01364	0.3
71.55650	0.3
76.93710	0.3
77.03966	0.9
79.01893	0.6
91.01904	0.4
93.03441	0.9
105.03464	0.6
117.03460	4.0
119.05008	0.5
120.34807	0.3
121.02941	1.0
123.45638	0.2
128.98291	0.2
132.02190	0.2
133.02931	0.7
135.00876	0.5
135.03642	0.2
135.04440	1.1
145.02965	0.3
149.02420	0.9
159.04482	1.2
161.02405	2.1
163.00447	0.4
163.04008	2.0
165.01987	0.5
166.65884	0.3
173.02443	0.2
177.26344	0.2
179.03592	0.3
180.05867	0.4
183.04494	0.4
191.03424	0.9
193.01439	0.6
195.04575	0.3
195.08266	0.4
196.05315	0.5
197.06087	0.9
203.03418	0.6
208.05225	0.7
209.06085	1.2
211.07603	0.3
223.03995	0.5
224.04831	1.5
225.05530	0.9
237.05489	0.8
239.07083	0.9
252.04288	1.3
253.05034	100.0
254.05392	5.6
255.06297	0.2
267.06552	0.3
268.03772	1.6
269.04553	2.6
281.04550	2.5
282.05338	1.3
283.06100	28.2
284.06464	1.2
293.04465	1.1
295.06049	2.3
309.04016	0.4
311.05591	50.8
312.05978	2.6
314.04202	0.5
320.84195	0.3
323.05670	2.8
341.06613	7.7
342.06943	0.4
353.06433	0.4
403.04160	0.3
413.08670	0.3
431.09781	72.9
432.10098	5.2
477.44781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.6
71.56918	0.3
73.02943	0.4
75.00865	0.2
80.02678	0.7
89.02460	0.2
91.81998	0.1
93.03475	0.4
96.96002	1.4
98.95580	0.2
101.02440	0.6
107.01363	0.2
108.02161	18.1
109.02461	0.3
113.02413	0.3
119.05021	0.5
121.02943	2.6
121.44041	0.2
122.03749	0.2
123.04516	53.8
124.04842	1.1
133.02937	0.6
135.04533	0.2
136.01631	0.8
137.02376	0.8
144.59720	0.1
147.04489	0.3
148.05290	11.9
149.02437	0.9
149.05655	0.6
150.03180	0.5
150.54391	0.2
151.03937	0.5
161.04552	0.4
161.18739	0.1
162.03198	0.7
163.07635	8.7
164.08032	0.4
165.01915	8.1
166.02254	0.2
179.03490	7.8
180.04260	2.1
190.02715	0.2
193.06549	0.7
205.05020	0.3
207.13956	0.3
210.06918	0.2
212.03253	0.6
221.06055	0.9
223.07603	0.3
238.06210	0.2
253.08629	0.8
269.07990	0.2
270.04831	0.2
271.09720	100.0
272.10077	5.1
281.08356	0.2
313.10794	0.3
347.20923	0.2
367.13843	0.3
370.57983	0.2
371.08633	0.2
475.24921	0.2
536.71936	0.2
596.33972	0.2
709.23480	0.2
856.05170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	0.6
69.51064	0.4
71.01379	15.2
72.99305	0.7
73.02946	8.1
81.03459	3.2
83.01379	2.2
83.04568	0.8
83.05022	8.3
85.02945	5.5
87.00877	1.2
89.02432	7.9
95.01366	1.2
97.02930	0.5
98.20724	1.1
99.00874	0.7
101.02441	10.7
113.02441	8.5
119.03481	2.0
125.07172	1.2
128.34029	0.4
131.03462	0.6
143.03503	0.6
143.08260	0.4
149.04565	0.8
161.04544	4.2
173.09641	1.0
179.05502	0.6
189.12837	6.5
207.13734	0.8
224.17590	1.9
225.16095	6.9
242.18977	0.5
327.05008	0.8
328.05542	0.6
333.22879	1.8
367.27090	1.2
369.19055	5.0
372.70612	0.4
387.20215	10.5
388.20432	0.6
429.21255	28.0
430.21582	1.5
431.09634	0.8
433.31693	5.0
448.09756	0.7
449.20258	0.5
451.32855	100.0
452.33209	6.0
732.65436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.516
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	0.3
68.99815	2.1
69.03449	1.4
69.48767	1.2
71.01378	32.8
72.99304	2.8
73.02943	10.6
75.00868	13.3
78.96194	0.2
81.03470	0.5
83.01386	4.7
83.05007	0.3
84.02155	0.4
85.02945	19.8
86.00083	2.1
87.00874	8.8
87.04505	3.0
89.02443	6.2
95.01382	5.5
97.02939	0.9
97.06606	0.2
98.20590	0.3
99.00875	12.7
99.04523	0.6
101.02435	12.1
103.04009	2.2
111.00858	0.5
112.01661	0.5
113.02444	13.2
115.00367	0.3
115.04001	4.9
119.03485	1.8
125.02439	0.8
127.03974	0.4
128.96716	0.2
129.01941	0.2
131.03488	5.6
139.00349	0.6
143.03494	6.5
145.05052	1.0
157.01418	0.9
159.03026	0.5
161.04541	0.8
163.06078	1.6
205.07138	3.0
247.08188	0.3
285.66656	0.2
288.38110	0.2
334.38498	0.2
397.69186	0.2
439.30032	0.3
439.35791	4.8
440.35831	0.4
441.37347	0.4
509.39990	2.5
541.32135	0.2
581.38116	0.3
599.39313	0.4
890.24225	0.2
891.40637	0.2
907.50513	1.4
925.51556	100.0
926.51892	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	923.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01926	0.3
68.99817	2.9
69.03451	1.2
71.01378	29.0
72.99302	2.4
73.02940	8.2
75.00870	11.4
79.14079	0.3
83.01389	4.2
85.02949	17.8
86.00085	2.0
86.03223	0.4
87.00872	8.8
87.04505	2.1
89.02442	5.0
95.01373	5.0
97.02941	0.7
98.20721	1.0
99.00877	12.2
99.04510	0.7
101.02436	8.8
103.03988	2.1
111.00859	0.6
112.01657	0.8
112.31400	0.4
113.02448	11.6
115.00344	0.4
115.03999	2.8
119.03499	1.4
125.02435	1.0
131.03505	5.2
139.00316	0.5
143.03490	4.8
145.05035	1.3
157.01349	0.5
161.04617	0.9
163.06068	1.6
205.07199	2.3
247.08104	0.4
337.81610	0.3
349.06366	0.3
403.86874	0.3
405.27557	0.5
421.30994	0.9
437.34250	5.1
438.34476	0.6
507.38333	1.9
535.38391	0.4
551.37634	0.5
597.38080	0.6
786.86877	0.4
810.71661	0.3
905.49548	2.0
913.96490	0.4
923.50031	100.0
924.50421	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	925.517
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14149	0.2
67.01884	0.4
68.99812	2.5
69.03466	1.0
70.64099	0.5
70.64464	0.2
71.01380	30.7
72.01730	0.3
72.62711	0.2
72.99304	3.3
73.02948	9.0
75.00870	12.2
81.03444	0.4
81.28320	0.2
83.01381	4.4
84.02180	0.3
85.02948	17.9
86.00095	1.8
87.00874	9.9
87.04516	3.0
89.02443	8.0
95.01383	4.6
97.02959	1.0
99.00880	12.5
99.04533	0.6
101.02438	12.3
103.03999	2.8
109.02901	0.3
111.00880	0.6
112.01656	0.6
113.02450	11.5
115.00384	0.4
115.04012	4.1
115.13124	0.2
119.03503	2.1
125.02425	0.7
127.03993	0.4
128.60582	0.2
131.03503	5.7
139.00371	0.7
143.03496	6.2
145.05075	1.0
148.64104	0.2
157.01456	0.9
159.03032	0.2
161.04555	1.3
163.06122	2.1
171.60222	0.2
195.40408	0.2
205.07167	4.2
233.06641	0.2
247.08029	0.2
281.80435	0.2
341.52560	0.2
409.30426	0.2
414.84903	0.2
423.32770	0.4
439.35861	3.6
440.36084	0.6
441.37601	0.4
442.69589	0.2
474.90732	0.2
509.39905	3.2
510.40076	0.4
537.40283	0.4
553.38776	0.3
581.38135	0.3
599.39288	0.7
734.08624	0.2
907.49872	1.5
925.51593	100.0
926.51953	15.6
954.59497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00342	0.3
65.42692	0.2
70.41572	0.3
71.01369	0.6
73.02925	0.6
77.03926	0.5
77.68880	0.3
79.01913	0.4
81.03462	0.3
83.01389	0.4
85.02915	0.5
97.02934	0.5
101.02405	0.5
105.03474	0.4
107.01369	0.4
109.02946	1.5
113.02452	0.5
119.05001	0.9
121.02913	1.0
125.02409	1.2
133.02945	9.7
135.04503	1.2
137.02422	0.5
147.04509	0.9
149.02419	1.0
151.00322	0.6
151.03998	0.5
161.02431	0.7
163.00343	1.2
163.04004	2.4
165.01888	1.2
171.04488	0.4
175.03952	2.3
177.01831	0.8
191.03471	1.3
193.01384	1.6
196.05202	0.3
199.03969	1.2
201.01918	0.9
203.03290	0.5
211.04036	0.6
211.07646	0.4
212.04608	0.4
213.05450	0.7
215.03423	0.4
217.04996	0.4
225.05580	0.6
227.07069	0.5
240.04190	0.7
241.04944	0.7
243.02771	0.4
253.05086	1.4
254.05498	0.4
255.02901	0.9
255.06534	0.6
256.03851	0.3
269.04510	1.2
271.05838	0.3
281.04523	0.7
283.02628	0.4
283.06036	0.6
284.03241	7.9
285.04044	7.1
286.04211	0.5
297.00565	0.5
297.04019	13.4
298.04739	8.1
299.05569	16.1
300.05844	0.7
309.04041	0.9
311.05579	3.8
324.02576	0.6
325.03381	1.0
327.05063	87.7
328.05432	6.1
339.05142	3.2
341.06653	1.1
357.06137	24.8
358.01190	0.3
358.06448	1.2
369.06226	2.0
388.45087	0.3
393.06247	0.7
411.07211	0.4
431.09909	1.6
447.09280	100.0
448.09616	6.4
461.07407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20436	0.6
70.20850	1.0
71.01379	0.4
77.03971	1.0
81.48545	0.3
93.03465	0.9
110.93398	0.3
117.03458	3.0
117.57463	0.3
119.05027	0.8
121.02944	0.7
138.43539	0.3
149.85941	0.3
159.04520	1.0
161.02452	1.4
161.96611	0.3
163.00421	0.5
163.03979	0.8
165.01897	0.8
168.85352	0.4
182.03656	0.4
183.04501	0.7
183.08133	0.7
197.05975	0.8
201.05490	0.4
211.07649	0.5
224.04903	0.6
237.05486	0.4
239.07170	1.2
253.04950	0.7
254.06012	0.4
269.04507	2.8
279.06686	0.4
281.04517	4.0
282.05273	2.0
283.06104	35.1
284.06357	2.3
293.04547	1.1
295.06122	3.0
298.04501	0.4
299.05127	0.4
308.03397	0.4
309.04037	0.7
311.05591	58.5
312.05930	3.2
314.04367	1.7
323.05545	6.0
327.05145	1.1
328.05438	0.5
341.06622	16.5
342.07022	1.2
353.06598	1.6
355.08423	0.6
357.06195	1.0
377.06631	0.4
431.09778	4.7
447.08994	2.3
448.09619	1.2
449.09897	0.5
475.08783	100.0
476.09048	5.9
626.36896	0.4
674.15466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00311	0.3
70.93443	0.2
71.55539	0.2
73.02958	0.2
77.03938	0.3
79.01881	0.3
83.01382	0.3
83.78090	0.2
91.30352	0.2
95.01347	0.3
97.02952	0.4
105.03435	0.5
107.01363	0.5
109.02966	1.5
113.02410	0.2
115.23924	0.2
119.05015	0.6
121.02941	1.0
123.04423	0.2
125.02408	0.8
132.02165	0.2
133.02943	9.6
134.03679	0.3
135.04523	1.3
137.02435	0.4
145.02974	0.2
147.04488	1.1
148.01617	0.4
149.02428	1.4
151.00255	0.3
151.04057	0.3
161.02406	1.1
163.00383	1.3
163.04012	2.7
165.01889	1.6
175.00352	0.3
175.03986	2.5
175.44325	0.2
177.01883	0.7
179.03467	0.2
187.03923	0.2
191.03438	1.6
192.03749	0.2
193.01395	1.2
198.03322	0.3
199.04027	1.1
201.01913	1.1
202.38477	0.2
203.03471	0.4
207.13972	0.2
209.05940	0.3
211.04004	0.5
212.04791	0.2
213.05539	0.8
215.03343	0.4
217.05064	0.6
217.47829	0.2
225.05486	0.8
226.02768	0.3
227.03342	0.6
227.07146	0.2
227.21039	0.2
229.01549	0.3
229.05008	0.2
240.04269	0.7
241.05075	0.9
243.03067	0.4
251.03413	0.3
253.05038	0.7
254.05490	0.3
255.02995	0.7
255.06584	0.7
256.03549	0.3
257.04404	0.3
267.03049	0.3
269.04510	1.1
271.06042	0.3
281.04501	0.4
283.06079	0.4
284.03232	7.6
285.04013	6.3
286.04138	0.6
297.04016	13.2
298.04742	7.7
299.05573	16.3
300.05920	1.0
309.04031	0.7
311.05585	2.0
324.02844	0.4
325.03317	0.8
327.05054	90.6
328.05411	5.9
329.05484	0.3
339.05042	2.6
340.05923	0.2
341.06561	0.8
357.06116	24.6
358.06442	1.4
369.06107	2.7
385.59290	0.2
393.06137	0.8
408.33957	0.2
429.20975	0.3
447.09265	100.0
448.09628	8.7
448.15894	0.4
449.09860	0.7
473.13748	0.3
772.58691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00313	0.5
67.91137	0.2
69.24479	1.9
71.01372	0.5
79.01898	0.4
83.01384	0.5
89.02485	0.3
90.13254	0.2
96.64503	0.3
97.02961	0.5
98.19827	0.5
101.02445	0.3
105.03455	0.4
107.01363	0.4
109.02934	1.5
113.02448	0.3
119.05007	0.7
121.02966	1.1
123.00813	0.3
123.04469	0.3
125.02445	1.1
132.02237	0.2
133.02945	9.1
134.03705	0.3
135.04515	1.1
137.02434	0.5
139.31996	0.3
145.02890	0.4
147.04507	1.0
149.02422	1.2
149.60008	0.2
151.00352	0.5
151.03996	0.3
152.60933	0.2
161.02399	1.0
163.00270	1.1
163.03993	2.3
165.01901	1.1
171.04599	0.3
173.02419	0.4
175.03976	2.0
177.01865	0.7
179.03473	0.3
191.03508	1.9
193.01430	1.4
196.05202	0.3
198.03119	0.5
199.04030	1.4
201.01933	1.0
203.03433	0.4
211.03923	0.3
213.05574	0.7
215.03474	0.5
225.05450	0.8
226.02589	0.2
227.03586	0.6
227.07074	0.4
229.01469	0.3
229.05063	0.3
231.06586	0.4
237.05688	0.3
240.04272	0.9
241.05074	0.7
243.03001	0.4
253.05017	0.8
255.02959	0.5
255.06650	0.6
269.04480	1.4
270.05161	0.4
271.06015	0.4
281.04590	0.4
283.06125	0.3
284.03238	7.1
285.04025	6.3
286.04343	0.4
297.04016	12.5
298.04776	7.4
298.07620	0.2
299.05582	15.4
300.05884	0.8
309.04013	0.7
311.05655	2.2
311.87399	0.2
324.02621	0.5
325.03421	1.0
327.05069	88.2
328.05420	5.1
328.09317	0.2
328.14655	0.3
339.05084	2.6
341.06726	0.7
357.06140	24.9
358.06558	1.5
369.06186	2.2
393.06226	1.1
403.15500	0.3
429.21411	0.4
447.09277	100.0
448.03732	0.5
448.09653	6.8
630.61066	0.2
692.40723	0.3
943.33447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85875	2.3
70.94151	0.5
71.01384	1.9
81.03445	0.6
82.14526	0.5
95.75635	0.5
96.95985	1.5
99.19880	0.5
99.65087	0.5
101.02446	1.0
102.97800	0.5
121.10237	14.8
122.10517	0.5
125.09695	1.0
127.11296	0.7
147.52301	0.5
151.06294	0.7
171.10257	37.1
172.10550	0.8
183.13846	1.5
185.11800	1.7
197.11794	0.6
211.13380	6.5
231.21182	4.2
235.08264	0.6
257.19351	0.7
275.20126	77.1
276.20502	3.3
277.21722	2.7
278.35025	0.6
293.21204	100.0
294.21539	5.6
325.25250	0.7
341.24680	0.7
359.25928	0.6
369.24197	0.7
387.25467	2.1
401.06400	0.5
405.26337	1.5
459.08258	0.5
563.93060	0.6
623.34253	10.6
624.34656	1.5
707.43854	0.7
917.46698	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	919.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
70.22056	0.5
70.22449	0.5
71.01361	1.2
72.67950	0.2
73.02934	1.1
73.07225	0.2
77.03958	0.3
79.01881	0.3
83.01372	0.5
85.02942	0.7
89.02434	0.3
95.01339	0.3
97.02981	0.2
98.19918	0.2
101.02457	1.4
105.03452	0.4
107.01348	0.4
109.02961	1.6
113.02448	1.3
119.04993	0.5
121.02947	1.2
125.02412	0.7
132.02174	0.2
132.98523	0.2
133.02943	9.6
134.03291	0.3
135.04514	0.9
137.02434	0.5
138.42450	0.2
139.62244	0.2
143.03471	0.2
147.04515	0.8
149.02399	1.2
149.04590	0.5
151.00328	0.5
151.04013	0.5
161.02403	0.8
161.04478	1.1
163.00352	1.1
163.03993	2.7
164.01086	0.2
165.01883	1.9
173.02382	0.4
175.03984	2.3
177.01927	0.8
185.06085	0.2
191.03465	1.3
193.01411	1.2
199.03944	1.0
201.01869	1.1
203.03477	0.4
211.03922	0.6
211.07605	0.2
212.04716	0.4
213.05582	1.1
215.03450	0.4
217.05029	0.3
221.06598	0.4
225.05458	0.6
227.03465	0.4
227.07025	0.3
229.01329	0.3
231.06497	0.4
240.04260	0.6
241.05000	0.8
243.02994	0.4
251.03378	0.3
253.04971	1.0
254.05594	0.3
255.02931	0.5
255.06647	0.5
256.03769	0.6
257.04520	0.4
259.05936	0.3
269.04495	1.0
270.05322	0.3
271.06131	0.3
281.04639	0.3
284.03217	8.0
285.04019	6.2
286.04120	0.3
297.04031	12.2
298.04730	7.4
299.05569	15.6
300.05978	1.1
309.03897	0.7
311.05502	2.0
324.02612	0.3
325.03461	1.2
327.05057	86.2
328.05402	5.1
339.05099	2.9
340.05450	0.4
341.06506	0.6
357.06128	23.4
358.06519	1.2
367.17557	0.5
369.05960	2.1
393.06113	0.7
411.07166	0.3
413.03925	0.2
421.40787	0.2
427.19611	0.6
429.07828	0.3
447.09274	100.0
448.09686	7.5
500.78125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47987	5.2
69.48405	2.3
71.01380	55.3
72.99305	2.9
73.02946	23.6
75.00873	1.4
81.03377	0.9
83.01389	10.3
85.02946	22.1
86.31287	1.0
87.00874	2.3
89.02444	17.1
95.01379	3.7
96.96024	1.7
97.02947	1.9
98.20618	1.9
98.76286	1.0
99.00861	9.2
101.02441	41.1
107.69581	1.0
113.01714	1.7
113.02455	24.5
119.03504	8.3
125.02464	1.5
125.81409	0.9
126.56239	1.0
131.03471	1.1
137.09671	3.4
143.03487	3.5
149.04556	1.6
151.17131	1.1
159.02986	4.2
161.04536	14.9
165.12831	34.2
166.13173	1.1
179.05656	2.5
191.14426	12.8
203.05656	7.0
204.05949	2.0
205.12363	1.3
207.13904	13.0
208.14175	4.7
209.15466	16.1
231.13907	2.4
253.05025	1.6
269.04428	3.8
275.16434	1.2
293.17532	3.6
327.17993	1.3
353.19620	4.5
371.20700	35.6
372.21011	3.0
410.96570	1.0
413.21768	100.0
414.22391	6.4
415.77396	1.3
546.00854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	4.1
69.34155	8.9
71.01379	68.1
72.99297	2.8
73.02943	100.0
75.00867	1.7
83.00912	2.1
83.01384	28.2
83.01884	1.5
85.02953	10.3
87.00879	3.4
89.02435	16.1
95.01392	2.7
96.95992	5.2
97.02947	1.9
98.20638	2.2
99.00852	1.7
101.02438	90.0
113.02445	31.3
113.03252	1.3
116.17943	1.0
119.03490	10.7
125.02427	3.1
131.03499	8.7
133.17886	0.9
141.38364	1.1
143.03487	9.8
147.02931	1.6
149.03381	1.0
149.04552	18.9
155.03499	3.2
161.04541	37.2
179.05594	1.3
203.05554	6.3
211.63892	1.0
221.06673	12.1
253.05141	1.2
269.04474	2.1
371.20645	1.7
404.45279	1.1
413.21912	7.4
744.72638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
68.82156	0.2
69.03442	0.2
69.80770	1.0
71.01380	3.3
73.02950	1.2
75.00881	0.3
83.01384	0.3
85.02947	2.1
89.02443	0.7
91.01910	0.4
94.19716	0.2
95.01357	0.8
96.95995	0.5
101.02425	2.2
105.80688	0.2
108.02177	0.3
113.02450	3.9
119.03511	0.6
131.03493	0.6
133.19789	0.2
135.00873	1.0
143.03458	0.4
148.01674	1.0
149.02409	0.2
149.04494	0.5
161.04536	0.9
184.05296	1.3
195.04462	0.8
196.05280	0.7
198.03156	0.3
211.03979	4.2
212.04652	0.7
221.06664	0.3
223.03920	0.6
224.04701	0.9
232.06244	0.3
239.03482	3.3
240.04271	3.3
251.03226	0.2
252.04398	0.4
255.03014	0.5
267.02972	2.0
267.06558	0.6
268.03745	48.8
269.04144	3.0
281.04514	0.5
282.05252	0.9
283.06094	100.0
284.06448	5.8
285.07532	0.2
297.07477	0.3
311.05679	0.3
325.03622	0.4
325.07132	2.8
536.45990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.5
70.79404	0.8
70.79729	1.5
71.01377	58.5
71.05014	0.7
72.01717	1.2
72.99297	1.0
73.02940	17.0
80.16604	0.7
83.01390	7.4
85.02944	12.5
86.70892	0.7
87.00878	1.7
89.02444	11.2
93.03445	1.0
95.00463	0.7
95.01377	2.7
96.95997	4.5
97.02943	2.0
99.00852	4.5
101.02435	23.7
101.03098	1.2
109.06599	2.6
113.02441	13.8
119.03501	5.6
123.08141	0.8
125.02455	3.8
131.03459	0.9
137.02536	1.0
137.09676	5.3
137.56296	0.8
138.10060	0.9
139.07600	1.3
139.37733	0.7
143.03493	4.4
149.04573	1.6
149.09726	2.0
153.01936	0.8
155.03534	1.0
161.04538	9.0
165.12775	1.8
185.04541	0.9
189.12801	2.1
191.14407	1.0
192.11530	12.0
193.11882	0.8
203.05594	49.5
204.05917	3.3
205.06099	1.1
207.13876	100.0
208.14200	10.0
209.14384	1.3
304.43909	0.8
307.35556	0.8
319.06500	0.8
351.18082	1.0
353.19833	2.8
371.20697	12.8
372.21597	0.9
411.20224	5.6
413.21771	38.5
414.22189	2.1
480.94455	0.8
528.58112	0.8
537.42975	0.9
737.95349	0.8
855.67267	0.8
913.36633	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	913.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.5
70.79404	0.8
70.79729	1.5
71.01377	58.5
71.05014	0.7
72.01717	1.2
72.99297	1.0
73.02940	17.0
80.16604	0.7
83.01390	7.4
85.02944	12.5
86.70892	0.7
87.00878	1.7
89.02444	11.2
93.03445	1.0
95.00463	0.7
95.01377	2.7
96.95997	4.5
97.02943	2.0
99.00852	4.5
101.02435	23.7
101.03098	1.2
109.06599	2.6
113.02441	13.8
119.03501	5.6
123.08141	0.8
125.02455	3.8
131.03459	0.9
137.02536	1.0
137.09676	5.3
137.56296	0.8
138.10060	0.9
139.07600	1.3
139.37733	0.7
143.03493	4.4
149.04573	1.6
149.09726	2.0
153.01936	0.8
155.03534	1.0
161.04538	9.0
165.12775	1.8
185.04541	0.9
189.12801	2.1
191.14407	1.0
192.11530	12.0
193.11882	0.8
203.05594	49.5
204.05917	3.3
205.06099	1.1
207.13876	100.0
208.14200	10.0
209.14384	1.3
304.43909	0.8
307.35556	0.8
319.06500	0.8
351.18082	1.0
353.19833	2.8
371.20697	12.8
372.21597	0.9
411.20224	5.6
413.21771	38.5
414.22189	2.1
480.94455	0.8
528.58112	0.8
537.42975	0.9
737.95349	0.8
855.67267	0.8
913.36633	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	913.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03963	0.9
70.60771	1.0
70.61127	0.7
71.01383	2.0
73.02931	0.7
81.01179	0.3
85.02957	1.1
93.03453	90.5
94.03783	1.3
95.06184	0.4
96.96007	2.9
99.00942	0.4
101.02432	1.0
105.73254	0.4
107.05025	0.3
110.06092	0.5
112.37797	0.4
113.02432	1.4
117.59128	0.3
120.08211	1.5
122.06121	5.1
125.02442	0.4
134.06117	1.3
135.08101	0.3
136.07724	0.4
137.02438	100.0
138.02773	2.4
144.04546	0.6
158.79456	0.4
173.14554	0.3
174.05569	0.6
183.13853	0.6
203.05922	0.8
215.11926	0.5
222.07909	0.4
227.11984	0.4
236.09630	0.5
237.10326	2.0
239.11806	0.5
241.13362	0.4
249.10480	0.6
250.07419	0.5
250.11258	0.4
251.08209	0.8
251.11900	2.5
253.05112	0.7
262.11328	0.5
263.08444	0.5
263.11853	1.6
264.08844	1.9
265.09845	3.1
265.13406	1.3
269.12997	0.5
275.08401	0.7
275.11841	0.6
276.08969	0.5
277.09769	2.4
278.10468	2.4
279.11398	0.9
285.12494	0.5
287.13937	0.7
290.10663	0.7
291.11365	2.7
292.12177	1.8
293.12955	4.1
294.13464	0.4
296.11789	0.5
297.12399	0.7
299.07608	1.1
310.09552	0.4
313.11780	0.6
318.09998	0.9
319.10880	2.9
324.11035	0.6
325.12125	0.6
335.10239	0.8
336.11230	1.2
337.11838	1.3
343.13174	0.7
344.13965	0.8
351.13263	0.5
355.88010	0.4
358.15732	1.5
361.10999	0.4
369.14444	0.5
370.15671	0.5
372.13110	0.7
372.17249	1.5
373.17917	0.5
374.18854	0.8
385.14194	0.7
386.14868	1.9
398.15543	0.6
399.15863	0.7
400.16797	1.7
412.16754	0.4
413.17114	0.5
414.18115	2.5
415.19037	1.0
418.17786	2.0
426.14597	0.5
440.16159	0.9
441.16785	1.0
458.17337	1.4
459.17871	2.2
476.18396	0.5
477.19034	0.7
490.19830	1.8
537.25446	0.9
563.23285	1.2
581.23975	12.9
582.24475	1.5
595.25659	0.4
599.25116	2.8
613.26550	14.4
613.36554	0.7
614.26819	2.3
631.27594	6.6
632.28302	0.8
652.25214	1.5
673.29108	1.1
679.23737	0.4
711.32855	0.4
725.28925	0.6
743.29224	6.7
744.29779	1.4
757.30695	1.7
775.17889	0.7
775.31891	13.3
776.31995	1.7
866.59015	0.4
881.32617	8.0
881.48834	0.6
882.33398	1.6
913.35071	6.9
914.36078	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	911.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	35.6
71.56930	1.1
72.99304	2.5
73.02941	9.7
75.00869	13.6
79.34461	0.8
83.01381	5.0
85.02952	23.9
86.00084	1.5
87.00881	9.6
87.04516	2.6
88.98802	1.3
89.02438	3.3
95.01392	3.9
96.95998	5.6
99.00882	14.3
101.02443	5.2
113.02444	11.9
115.04009	2.3
125.02366	1.4
131.03464	7.5
143.03482	5.9
157.01448	1.6
203.05812	0.9
205.07123	3.1
245.41714	0.8
253.05107	1.4
267.11337	1.3
284.26660	0.9
285.12497	1.1
327.05057	1.4
343.12915	0.9
395.19131	1.2
398.14957	1.5
437.34799	1.4
455.35330	1.0
567.23596	1.6
579.22485	2.9
809.76825	1.1
879.34064	0.9
893.49695	1.4
911.50275	100.0
912.50403	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	911.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	2.7
69.64748	2.8
71.01379	37.9
73.02941	9.8
81.03442	0.9
83.01392	3.8
85.02946	6.5
89.02441	1.8
93.76805	0.4
95.01385	0.6
96.96017	2.6
97.02941	2.2
98.20550	0.6
99.00874	2.9
101.02428	10.1
109.06589	2.0
113.02452	5.1
119.03513	0.9
121.06607	0.6
122.06084	1.6
123.08137	1.1
125.02456	2.5
131.03532	0.6
133.06581	0.5
134.03764	0.6
137.02452	0.5
137.09737	4.5
139.07632	1.7
143.03520	3.1
149.04523	1.1
149.09711	1.6
150.03210	0.8
151.07594	0.6
155.03500	1.0
160.01688	0.9
161.04539	4.6
163.11215	0.6
165.05621	0.9
165.12814	0.7
172.89851	0.5
173.04611	0.4
175.03938	1.1
189.12869	0.9
192.11542	11.0
193.11870	0.6
203.05600	46.7
204.05975	0.7
207.13881	100.0
208.14221	4.4
225.87927	0.5
233.99080	0.5
237.10310	0.8
251.11812	0.8
265.09955	0.7
277.09793	0.7
278.10651	0.7
291.11279	1.1
293.12735	0.7
318.09930	0.5
337.11874	0.6
400.16418	0.6
411.20203	6.0
418.17673	0.5
490.19592	0.6
581.24268	1.3
613.26733	1.9
631.27460	1.0
893.37476	0.9
911.38928	3.1
912.39435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.6
71.01366	0.5
71.56863	0.2
73.02936	0.5
83.01373	0.5
84.43554	0.2
89.02428	0.2
96.95992	0.6
101.02458	0.8
107.01381	1.1
109.02969	0.4
113.02426	0.4
119.05079	0.2
121.02942	0.5
125.02422	0.2
132.02179	0.2
133.01949	0.3
133.02939	6.6
135.04510	0.8
147.04492	0.3
149.02451	1.0
149.04538	0.2
151.00365	5.3
161.02446	0.2
161.04492	0.2
163.00395	0.3
163.04005	0.5
164.11020	0.2
165.01836	0.3
171.04556	0.3
173.02440	0.2
175.03981	2.8
179.03490	0.2
189.05553	0.2
191.03499	0.3
193.01369	0.2
197.06067	0.4
198.03235	0.3
199.04018	1.8
200.04356	0.2
201.01897	0.7
213.05539	0.7
215.03494	0.3
217.05080	0.9
223.04073	0.3
227.03535	0.2
229.05144	0.3
240.04335	0.3
241.05077	1.1
243.02927	0.7
253.04932	0.4
256.03793	1.7
257.04434	0.8
269.04498	0.7
270.05048	0.2
281.04501	0.2
284.03250	4.5
285.04025	100.0
286.01151	0.4
286.04373	7.2
287.04929	1.3
287.14005	0.4
297.04025	3.1
298.04761	1.3
299.05545	2.3
300.05658	0.2
311.05563	0.5
327.05069	17.2
328.05423	1.6
339.05054	0.5
341.06430	0.2
353.10358	0.3
357.06134	7.1
358.06381	0.5
361.89374	0.2
369.06097	0.6
382.38336	0.2
393.06311	0.4
411.07574	0.2
447.09293	73.8
448.09616	7.3
448.15887	0.2
449.10254	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	907.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84698	1.3
71.01379	2.8
73.02934	0.9
77.03951	0.7
79.01900	0.5
85.02948	1.7
90.94280	0.5
93.03431	1.5
101.02447	2.4
105.03442	0.8
107.01356	0.4
111.89245	0.4
113.02425	1.4
117.03470	5.3
119.05022	0.7
121.02946	1.2
125.02436	0.6
125.67211	0.5
133.02946	0.4
135.04504	1.3
145.02890	0.4
149.02411	1.8
150.03171	0.4
151.03891	0.4
159.04468	1.2
161.02443	2.6
161.04526	1.1
163.03993	3.0
165.01927	0.7
173.02425	0.6
173.06071	0.6
191.03471	1.5
193.01367	0.6
197.06076	1.1
211.07549	0.6
224.04799	0.6
239.07080	1.0
241.05081	0.5
245.09834	0.4
253.05009	6.2
254.05229	0.6
268.03897	2.0
269.04608	2.0
281.04517	3.4
282.05310	2.3
283.06119	35.9
284.06409	2.8
293.04578	2.1
295.06042	0.8
311.05591	66.7
312.05988	5.2
314.04300	0.8
323.05661	3.6
341.06635	9.5
342.06995	0.7
371.20834	1.7
389.21817	3.5
405.12814	1.1
431.09793	100.0
432.10138	8.7
432.23102	0.5
433.10345	0.8
463.09088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.4
68.99828	2.5
69.03456	3.1
71.01376	20.7
71.36147	0.4
72.99290	1.3
73.02933	3.0
75.00864	13.0
83.01380	3.3
85.02945	10.8
87.00861	1.1
89.02439	7.1
95.01371	4.1
95.51075	0.4
97.02945	4.8
98.19849	1.2
99.00870	11.5
101.02435	8.8
111.00851	0.6
112.01635	0.5
113.02444	8.3
115.00317	0.4
119.03487	2.3
125.02431	7.4
139.00362	0.7
149.73769	0.4
157.01366	1.1
204.84671	0.4
230.21950	0.5
450.17535	0.4
461.54608	0.4
464.07776	0.5
515.35315	0.5
565.39075	1.0
567.40643	0.5
777.41418	0.5
905.48926	100.0
906.49304	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	905.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95869	0.2
63.02389	0.2
65.00324	0.4
69.28160	0.6
69.28586	1.3
71.01365	0.6
72.64631	0.2
73.02938	0.5
83.01391	0.4
85.02945	0.3
89.02410	0.3
95.01394	0.2
96.95998	0.6
101.02427	0.6
107.01373	0.8
113.02454	0.4
121.02941	0.4
132.02240	0.2
133.02943	5.9
135.04558	0.3
149.02402	1.1
151.00343	3.7
153.35863	0.2
161.04576	0.2
163.00496	0.2
165.60623	0.2
171.04466	0.3
175.03989	2.3
177.01886	0.3
194.83499	0.2
197.06027	0.4
198.03346	0.3
198.75023	0.2
199.04018	1.8
201.01924	0.6
210.56729	0.2
213.05525	0.7
217.05038	1.4
225.05573	0.2
239.03410	0.3
240.04309	0.3
241.04999	0.9
243.02994	0.7
256.03793	1.7
257.04568	0.5
260.94922	0.3
267.02777	0.3
269.04498	0.3
278.18826	0.2
281.91562	0.2
284.03241	4.2
285.04019	100.0
286.01169	0.2
286.04379	5.5
297.03998	2.4
298.04700	1.2
299.05557	2.2
311.05511	0.6
327.05051	12.9
328.05383	0.6
339.05106	0.5
341.06259	0.3
357.06113	5.1
358.06396	0.5
369.06012	0.5
393.14099	0.2
403.19632	0.3
447.09274	71.3
448.09601	5.8
547.95587	0.2
687.90845	0.2
700.78784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	1.2
73.02953	0.8
79.95610	0.5
83.01344	0.5
85.02909	0.7
89.02467	0.5
96.96006	1.9
101.02402	0.9
104.55305	0.5
104.65248	0.5
107.01385	0.7
109.02945	1.7
113.02439	0.7
115.04078	0.5
116.65873	0.5
121.02936	0.8
122.75822	0.5
123.40424	0.5
125.02395	1.5
133.02946	10.2
135.04544	1.2
137.02539	0.5
144.32600	0.6
147.04576	0.7
149.02409	1.7
151.00380	0.8
161.02490	1.9
161.04442	0.6
163.00356	1.7
163.03975	2.1
165.01883	1.0
173.02370	0.6
175.02534	0.4
175.03975	2.3
177.01886	1.0
179.03497	0.9
180.28737	0.5
183.04549	0.6
191.03459	1.0
193.01331	0.6
199.03940	1.1
201.01848	1.1
203.03369	0.6
213.05563	1.2
215.03455	1.0
225.05550	1.6
227.03596	0.7
229.01480	0.6
240.04254	1.1
241.05124	0.9
243.02983	0.7
243.06548	0.6
253.05013	1.8
255.06624	1.2
268.03714	2.5
269.04529	35.3
270.04846	4.5
271.05243	0.7
284.03250	6.7
285.03979	11.1
286.04514	0.8
297.04001	18.7
298.04745	8.8
299.05566	13.6
300.05984	0.9
311.05557	5.6
311.08896	0.7
311.10510	0.6
312.06039	0.6
325.03525	0.8
327.05057	100.0
328.05344	7.2
339.05182	3.4
341.06476	1.0
353.06625	0.8
357.06131	46.3
358.06516	2.9
369.06097	4.4
383.07639	1.7
387.11884	1.3
393.06000	1.5
411.07059	1.1
429.08258	1.0
447.09265	60.7
448.09500	4.9
473.10965	1.5
571.61865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91812	0.8
71.01384	1.6
73.02947	0.7
77.03965	1.2
79.01900	0.7
83.01378	0.4
85.02950	0.6
89.02454	0.7
93.03465	0.9
98.19920	0.2
101.02439	1.2
105.03472	0.5
107.01357	0.3
113.02423	0.6
117.03467	6.0
118.03838	0.2
119.04995	0.5
121.02959	1.4
123.04633	0.2
125.02439	0.4
125.06428	0.2
133.02931	0.3
134.35724	0.2
135.04483	1.2
145.02962	0.3
147.04446	0.3
149.02467	1.7
151.00330	0.3
152.09193	0.2
154.61069	0.2
159.04468	1.2
161.02437	2.7
161.04503	0.3
161.23349	0.2
163.00372	0.6
163.03996	2.1
165.01918	0.7
173.02425	0.3
175.00267	0.2
175.04051	0.4
179.03510	0.3
182.03688	0.3
183.04408	0.4
183.08101	0.3
185.02603	0.3
191.03426	1.1
193.01393	0.3
195.08125	0.2
196.05305	0.5
197.06033	0.7
203.03595	0.3
209.06140	0.4
211.07574	0.5
213.05678	0.3
215.07043	0.4
224.04739	0.7
225.05571	0.4
237.05608	0.4
239.07018	1.3
241.04910	0.3
251.07202	0.3
253.05150	0.3
268.03717	2.0
269.04538	3.1
270.04800	0.2
279.06854	0.3
281.04532	4.1
282.05286	2.9
283.06104	35.1
284.06421	2.0
285.04050	1.0
293.04437	1.2
295.06079	2.1
309.04019	0.6
311.05597	68.5
312.05945	4.0
314.04395	0.9
321.04013	0.2
323.05576	4.1
325.07120	0.2
341.06638	14.7
342.06995	0.9
353.06680	0.8
369.19168	0.9
387.20245	1.6
413.08722	0.9
428.22342	0.2
429.21213	2.4
430.22034	0.2
431.09787	100.0
432.10120	7.8
461.07413	0.7
651.44342	0.2
687.85876	0.2
789.27911	0.2
915.68866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91812	0.8
71.01384	1.6
73.02947	0.7
77.03965	1.2
79.01900	0.7
83.01378	0.4
85.02950	0.6
89.02454	0.7
93.03465	0.9
98.19920	0.2
101.02439	1.2
105.03472	0.5
107.01357	0.3
113.02423	0.6
117.03467	6.0
118.03838	0.2
119.04995	0.5
121.02959	1.4
123.04633	0.2
125.02439	0.4
125.06428	0.2
133.02931	0.3
134.35724	0.2
135.04483	1.2
145.02962	0.3
147.04446	0.3
149.02467	1.7
151.00330	0.3
152.09193	0.2
154.61069	0.2
159.04468	1.2
161.02437	2.7
161.04503	0.3
161.23349	0.2
163.00372	0.6
163.03996	2.1
165.01918	0.7
173.02425	0.3
175.00267	0.2
175.04051	0.4
179.03510	0.3
182.03688	0.3
183.04408	0.4
183.08101	0.3
185.02603	0.3
191.03426	1.1
193.01393	0.3
195.08125	0.2
196.05305	0.5
197.06033	0.7
203.03595	0.3
209.06140	0.4
211.07574	0.5
213.05678	0.3
215.07043	0.4
224.04739	0.7
225.05571	0.4
237.05608	0.4
239.07018	1.3
241.04910	0.3
251.07202	0.3
253.05150	0.3
268.03717	2.0
269.04538	3.1
270.04800	0.2
279.06854	0.3
281.04532	4.1
282.05286	2.9
283.06104	35.1
284.06421	2.0
285.04050	1.0
293.04437	1.2
295.06079	2.1
309.04019	0.6
311.05597	68.5
312.05945	4.0
314.04395	0.9
321.04013	0.2
323.05576	4.1
325.07120	0.2
341.06638	14.7
342.06995	0.9
353.06680	0.8
369.19168	0.9
387.20245	1.6
413.08722	0.9
428.22342	0.2
429.21213	2.4
430.22034	0.2
431.09787	100.0
432.10120	7.8
461.07413	0.7
651.44342	0.2
687.85876	0.2
789.27911	0.2
915.68866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38699	1.8
71.01382	5.9
72.99285	0.3
73.02940	10.4
74.63543	0.4
77.03965	0.8
79.01895	0.9
83.01376	3.5
83.05041	0.3
84.02124	0.4
85.02940	0.7
89.02453	0.6
93.03459	1.3
95.01385	0.4
95.68427	0.4
97.06550	0.3
98.03709	0.3
101.02428	6.2
105.03425	1.0
108.02147	0.8
110.09549	0.3
113.02440	1.4
117.03457	6.4
119.05005	0.9
121.02954	1.7
121.06606	0.3
131.03537	0.3
131.47308	0.3
133.02971	0.4
135.04526	1.9
145.02957	0.3
147.04553	0.5
148.01759	0.3
149.02409	1.7
149.04572	0.3
159.04472	1.5
161.02438	2.5
161.04535	1.4
162.02678	0.3
163.04013	3.0
163.11230	0.4
165.01863	0.8
165.09189	0.8
169.79990	0.3
173.02449	0.7
175.00330	0.4
179.03465	0.5
183.04482	0.4
186.72360	0.3
189.01958	0.3
191.03416	1.6
193.01398	0.5
196.05244	0.6
197.06018	0.7
203.03452	0.9
203.05443	0.4
205.12251	0.5
211.07622	0.9
215.07210	0.4
218.68660	0.3
221.06535	0.8
223.13374	7.8
224.04764	0.4
224.13644	0.3
225.05534	0.5
235.13351	1.2
237.14944	1.5
239.03268	0.3
239.07047	1.2
247.13402	1.6
253.05127	0.3
265.14392	4.2
268.03802	1.8
269.04465	2.4
281.04526	2.3
282.02570	0.3
282.05087	1.5
283.06088	42.1
284.06519	2.4
293.04486	2.0
295.06174	1.3
307.15427	1.0
309.04117	0.6
311.05573	73.7
312.05905	5.8
314.04202	0.4
323.05557	3.1
341.06656	9.0
342.07010	0.6
353.06802	0.3
427.19754	1.6
431.09766	100.0
432.10141	8.1
433.10385	1.3
434.10345	0.3
481.69766	0.3
873.52893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
67.60643	0.8
71.01376	16.0
72.35764	0.9
72.99293	1.0
73.02937	2.7
76.86428	0.8
79.95727	1.5
81.03447	1.1
83.01384	1.7
85.02953	2.9
87.00881	2.5
89.02439	10.4
96.95998	2.6
97.02934	1.4
98.19866	2.5
99.00857	1.6
101.02447	11.2
111.43112	0.9
113.02440	4.8
119.03482	1.8
125.02458	2.4
141.01703	1.8
143.03516	1.6
143.99242	1.1
152.91663	1.3
165.05705	0.7
165.12834	7.3
179.05605	1.1
183.13884	53.3
184.14278	1.5
195.13872	4.9
211.13373	0.9
221.06558	2.2
223.13362	2.9
225.96266	1.0
227.12907	5.6
235.08078	1.9
275.20029	2.0
293.21207	16.3
294.21371	0.9
339.40594	0.8
397.13507	4.7
415.14557	1.4
625.27197	2.0
898.24548	1.2
901.47906	100.0
902.48212	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	900.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53658	15.8
71.01388	36.4
71.55164	14.3
74.79478	15.5
75.00893	18.0
87.00837	33.1
89.02438	17.3
94.50830	15.3
96.95972	15.0
101.02434	17.9
115.00347	36.5
139.54022	14.3
141.47292	15.1
162.92841	16.6
171.10210	38.3
172.45593	13.7
175.02419	69.4
197.11757	28.6
211.13388	56.7
212.13547	19.4
272.19839	14.4
274.29025	15.8
277.21762	100.0
278.21976	35.3
291.19595	20.4
292.19992	23.4
309.20602	63.3
310.21072	44.8
311.21310	43.3
312.21536	16.0
397.13242	16.9
665.07037	16.7
738.45593	30.6
782.44171	23.8
900.46405	61.0
901.46118	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	901.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.8
69.19389	6.9
71.01376	12.1
71.05002	2.7
73.02931	2.4
80.96506	1.2
83.01381	1.3
85.02915	3.0
87.00854	2.2
89.02456	4.2
95.05025	1.0
97.02946	4.1
97.06567	3.1
99.00877	14.4
101.02435	7.3
113.02409	3.6
116.92790	0.8
119.03500	1.5
123.08129	1.9
125.02388	1.5
125.09734	6.8
142.02675	1.2
143.03485	1.3
161.04564	1.3
161.09598	1.2
163.11282	9.0
171.10255	2.3
181.12358	11.7
197.11789	1.1
199.13351	5.0
207.08380	1.3
207.10254	20.9
221.06682	1.7
225.09242	1.6
225.11304	22.1
235.08192	1.1
243.12344	11.1
248.57361	0.9
277.21719	20.3
277.24759	1.1
278.21957	1.4
281.72372	0.7
299.14771	0.8
397.13449	3.1
432.27359	1.0
549.06262	1.0
599.16296	1.0
641.26636	1.3
883.46014	1.2
901.47882	100.0
902.48322	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	900.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	0.4
67.50148	0.5
71.01380	2.1
72.90208	0.4
73.02953	2.5
77.03972	1.7
79.01881	0.6
80.13128	0.4
83.01379	0.6
85.02932	0.7
85.09814	0.5
89.02431	0.5
93.03451	1.4
96.96001	1.5
101.02437	2.2
105.03475	0.7
113.02448	1.8
117.03468	6.3
118.32390	0.4
119.05043	0.8
121.02927	1.7
135.04497	1.3
149.02327	0.5
159.04469	1.4
161.02460	2.5
161.04552	0.7
163.00424	0.7
163.03989	1.0
165.01927	1.4
175.00258	0.5
183.04463	0.9
183.08136	0.8
196.05313	0.6
197.06094	0.7
198.41988	0.5
211.07617	1.2
224.04800	0.7
225.05734	0.5
227.03517	0.4
239.07149	1.8
251.07086	0.6
253.05116	0.6
254.05670	0.6
269.04535	5.7
279.06723	0.7
281.04562	8.5
282.05142	1.9
283.06088	50.2
284.06516	2.9
291.12344	0.4
293.04449	2.9
295.06055	5.8
309.04016	1.0
311.05579	82.2
312.05930	5.7
314.04297	1.5
321.03955	1.0
323.05569	12.4
324.05954	0.9
325.07205	0.7
341.06616	23.6
342.07013	1.9
349.07489	0.6
353.06677	1.5
377.06488	0.6
395.07693	1.0
413.08701	5.0
431.09711	5.0
473.10846	100.0
474.11172	9.5
543.50421	0.5
731.12091	0.5
831.53418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77933	0.5
71.01003	1.0
71.01380	14.5
71.57900	0.6
72.99317	0.7
73.02945	7.4
75.00876	0.5
83.01394	2.4
85.02950	7.1
87.00881	1.3
89.02446	4.0
95.01366	1.3
96.96014	1.1
99.00878	2.6
101.02442	12.4
113.02448	7.0
119.03516	3.0
131.03516	0.5
132.92308	0.5
135.04512	7.9
137.09711	1.1
143.03493	0.9
145.51643	0.4
149.04536	0.7
159.02904	0.8
161.04564	5.1
161.05934	0.8
163.04002	78.8
164.04393	3.0
165.12834	9.1
178.06340	65.9
179.06769	2.7
191.14433	4.4
193.08684	100.0
194.09010	4.6
203.05655	1.2
209.15495	4.1
215.14189	0.5
233.15479	0.6
270.91635	0.5
275.16647	0.6
293.17633	1.3
327.18146	0.6
353.19626	2.1
371.20694	12.2
372.21368	0.6
413.21805	19.4
414.22104	1.2
450.30096	0.5
462.03516	0.5
572.32190	0.6
615.26416	1.1
622.88251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43629	0.6
70.43963	0.3
70.93182	0.3
77.03947	0.8
79.01883	0.5
85.02962	0.3
88.41722	0.3
93.03456	0.8
105.03416	0.5
107.01426	0.3
107.65937	0.3
117.03450	4.0
119.04996	0.5
121.02943	1.0
125.02474	0.3
126.05547	0.3
135.04494	0.9
145.03043	0.3
147.04462	0.3
148.48578	0.3
149.02438	1.1
159.04507	1.0
161.02400	1.9
163.00302	0.3
163.03998	2.4
173.20081	0.3
178.44460	0.3
179.03334	0.4
191.03433	0.7
197.06038	0.4
197.20656	0.3
203.03439	0.3
211.07738	0.4
213.70140	0.3
215.07101	0.3
224.04703	0.3
239.07053	1.1
241.05055	0.3
268.03729	1.6
269.04483	2.2
281.04514	1.9
282.05331	1.7
283.06097	30.4
284.06519	1.9
293.04575	1.3
295.06073	1.2
309.03967	0.4
311.05591	64.3
312.05960	4.8
314.04230	0.5
323.05621	2.8
341.06625	10.1
342.06967	0.7
353.06750	0.4
402.20200	0.3
413.09210	0.5
431.09793	100.0
432.10138	7.9
432.14551	0.2
780.61890	0.3
880.38312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.4
71.01379	7.8
71.56863	0.6
72.99301	0.5
73.02939	3.1
81.40593	0.3
83.01387	1.8
85.02966	3.0
89.02456	2.4
89.02990	0.3
93.03485	1.0
95.01395	0.7
96.96004	1.9
99.00916	0.9
101.02435	5.1
113.02443	2.8
113.24562	0.4
119.03520	0.7
119.05106	0.4
121.02969	1.0
122.06077	0.3
125.02437	0.4
137.02448	1.4
143.03545	0.6
144.09003	0.3
147.04552	0.9
148.05301	100.0
149.04553	0.6
149.05617	3.8
150.03198	0.3
161.04547	3.0
163.07640	95.3
164.07961	4.5
165.05475	0.4
167.32484	0.3
174.01698	0.5
196.02734	0.3
203.05710	0.5
213.06808	0.3
237.05565	1.1
249.10999	0.5
346.43158	0.3
367.13885	2.3
399.23880	6.6
400.24277	0.6
441.24899	10.3
442.25006	0.9
485.23917	0.4
589.21521	0.4
613.26489	2.1
897.36584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	1.6
71.01378	4.0
71.20019	0.7
72.99301	0.4
73.02943	0.4
75.70554	0.4
83.05012	0.7
84.02160	0.4
85.02945	1.2
87.00884	0.9
89.02448	2.5
96.96031	1.1
97.02946	5.0
97.06567	0.6
101.02462	3.1
111.08173	3.4
113.02464	1.9
114.02003	0.5
115.00371	0.5
119.03503	0.8
123.08128	0.5
125.09689	1.0
130.28191	0.4
137.09708	2.3
144.26521	0.5
145.05043	0.5
161.04561	1.7
163.11298	2.0
165.12845	5.3
169.12347	1.5
171.10266	4.9
175.02499	0.8
179.05653	0.5
179.14415	0.9
181.12343	1.7
183.13852	1.2
193.12460	0.4
193.15929	0.8
197.11821	18.1
198.12183	0.4
199.13359	1.0
209.11783	2.7
211.13370	4.5
212.13763	0.5
221.11899	0.5
223.13345	1.0
225.11368	0.8
227.12871	3.8
235.08195	2.5
239.12828	0.6
247.20628	3.6
253.09268	17.0
254.09674	0.6
262.27350	0.4
263.20151	0.9
270.51471	0.4
273.18570	2.1
277.21692	1.1
291.19650	42.1
292.19916	2.7
293.20923	0.5
309.20694	100.0
310.21042	6.1
332.89444	0.4
377.38406	0.5
396.89423	0.4
527.28516	1.6
545.29639	5.7
546.29785	0.5
587.30847	0.4
601.40997	3.2
837.49329	0.7
897.45984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.4
71.01379	7.8
71.56863	0.6
72.99301	0.5
73.02939	3.1
81.40593	0.3
83.01387	1.8
85.02966	3.0
89.02456	2.4
89.02990	0.3
93.03485	1.0
95.01395	0.7
96.96004	1.9
99.00916	0.9
101.02435	5.1
113.02443	2.8
113.24562	0.4
119.03520	0.7
119.05106	0.4
121.02969	1.0
122.06077	0.3
125.02437	0.4
137.02448	1.4
143.03545	0.6
144.09003	0.3
147.04552	0.9
148.05301	100.0
149.04553	0.6
149.05617	3.8
150.03198	0.3
161.04547	3.0
163.07640	95.3
164.07961	4.5
165.05475	0.4
167.32484	0.3
174.01698	0.5
196.02734	0.3
203.05710	0.5
213.06808	0.3
237.05565	1.1
249.10999	0.5
346.43158	0.3
367.13885	2.3
399.23880	6.6
400.24277	0.6
441.24899	10.3
442.25006	0.9
485.23917	0.4
589.21521	0.4
613.26489	2.1
897.36584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	3.2
71.01383	9.0
72.99324	2.5
81.03459	2.2
83.01372	2.7
89.02454	7.1
95.05024	2.1
95.68961	2.2
97.02962	4.7
97.06588	6.9
98.20731	5.4
101.02438	8.0
111.08141	9.3
113.02448	3.7
119.03479	2.9
125.09696	7.0
127.42738	2.0
137.09703	4.2
145.05005	2.4
151.11285	5.0
160.20627	2.5
163.11275	8.4
165.12828	3.1
167.10751	2.3
169.12363	7.3
171.10249	5.3
173.21468	2.5
181.12309	3.6
185.11807	4.8
191.14371	7.8
197.11812	56.0
198.12062	2.5
199.13274	4.2
207.10251	4.6
209.11812	25.0
211.13307	13.4
235.08244	7.0
237.11267	2.9
245.19008	14.9
253.09261	33.3
256.74664	2.3
263.20172	14.5
271.17249	3.7
273.18597	2.7
277.21777	2.6
285.65387	2.7
289.18085	73.8
290.18347	5.6
291.19659	34.3
292.19861	3.1
307.19119	85.5
308.19229	4.5
309.20694	100.0
310.20898	5.4
431.42651	2.1
445.20645	6.5
525.27527	4.8
543.27954	8.5
835.49121	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	895.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22721	1.2
69.03427	2.5
71.01377	7.5
71.55315	1.7
71.55759	2.0
73.02932	1.3
75.00875	1.3
81.03458	2.5
82.95597	1.2
83.01343	1.4
83.05094	1.7
83.72593	1.2
85.02950	1.1
87.00860	2.2
89.02450	5.9
95.05057	1.7
97.02950	7.0
97.06573	3.5
101.02469	6.0
113.02451	3.6
119.03491	1.2
119.61700	1.2
123.04537	3.5
123.08195	2.0
125.09732	5.4
135.08151	1.8
137.09682	4.5
141.12784	1.7
145.21695	1.3
158.62997	1.3
161.04506	3.6
162.10489	1.6
163.11255	8.8
165.12849	7.2
171.10286	7.3
179.14607	1.4
181.12376	2.5
185.11812	5.2
191.10751	1.3
191.14438	7.8
193.12306	2.9
193.15900	1.8
207.10220	4.6
209.11826	14.7
211.13332	3.2
217.16132	2.1
225.11337	2.8
227.12865	4.3
235.08243	4.1
237.11357	3.1
245.19058	13.5
247.20670	3.4
253.09265	27.0
254.09665	1.4
263.20166	4.9
273.18900	2.3
277.21793	1.4
289.18079	76.6
290.18326	4.2
291.19632	47.1
292.20035	2.0
307.19131	69.3
308.19409	5.9
309.20682	100.0
310.21045	6.0
424.76126	1.3
457.09521	1.3
487.51019	1.4
525.26868	3.9
543.28253	2.5
545.29498	2.0
581.38763	1.5
778.39667	1.3
835.48187	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	895.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99807	1.5
69.03455	1.5
69.81227	2.6
71.01380	31.8
71.01777	1.6
72.99290	3.1
73.02946	8.2
75.00870	13.3
83.01384	3.6
85.02948	23.6
86.00095	1.0
87.00884	6.2
87.04498	1.8
89.02438	3.3
95.01395	3.0
96.82024	0.7
99.00876	14.2
101.02430	2.8
103.04057	1.5
107.13712	0.6
113.02448	9.9
115.04002	2.9
127.55219	0.8
131.03506	7.6
143.03485	4.3
149.35538	0.8
157.01367	1.6
163.06161	1.0
175.37743	0.7
205.07234	3.4
211.13399	0.9
439.35776	2.7
509.39932	2.0
850.06866	0.8
877.48120	1.2
895.50525	100.0
896.50854	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	895.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
63.63019	0.1
65.91019	0.1
67.01883	0.5
68.99812	2.1
69.03444	0.9
69.48547	1.1
71.01378	30.2
72.01685	0.2
72.99300	2.1
73.02943	9.5
75.00870	14.7
81.03425	0.2
83.01382	4.0
84.02151	0.2
85.02946	23.3
85.05936	0.1
86.00102	1.6
86.03256	0.1
87.00870	8.4
87.04507	2.9
89.02442	3.8
95.01389	3.3
95.01996	0.2
97.02959	0.6
98.20713	0.3
99.00876	12.6
99.04507	0.3
100.01239	0.2
101.02434	3.7
103.04000	1.6
109.02922	0.2
111.00881	0.5
112.01672	0.6
113.02445	10.6
114.02777	0.2
115.00372	0.6
115.04007	3.6
119.03501	0.5
125.02415	0.3
131.03494	6.5
139.00345	0.4
143.03494	5.7
145.05066	1.0
157.01437	0.8
163.06134	0.9
163.61275	0.1
205.07130	2.9
211.13330	0.2
231.05081	0.2
247.08238	0.2
317.27649	0.1
405.31650	0.2
423.32431	0.2
439.35861	2.9
440.35959	0.3
441.37314	0.2
477.15497	0.2
509.40109	1.6
553.38745	0.2
599.39612	0.4
833.51495	0.2
877.49377	1.0
895.50488	100.0
896.50830	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	895.193
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	0.6
74.13049	0.3
77.03972	0.6
79.01885	0.6
81.03425	0.3
83.01363	0.6
93.03464	0.4
97.02938	0.4
98.19877	0.7
105.03468	0.4
105.71625	0.3
107.01366	0.5
109.02967	1.5
119.05006	0.9
120.14767	0.2
120.80601	0.3
121.02921	1.4
125.02400	0.8
133.02943	10.4
134.03680	0.3
135.04489	1.1
137.02437	0.6
147.04503	1.1
148.01682	0.4
149.02426	1.0
151.00314	0.4
161.02385	1.0
163.00359	1.7
163.04012	2.7
165.01917	1.8
173.02417	0.5
175.03961	3.1
177.01945	0.8
189.01962	0.3
191.03481	1.8
193.01363	1.3
199.04048	1.2
201.01886	0.9
203.03571	0.3
211.04027	0.7
212.04884	0.4
213.05544	0.8
215.03342	0.3
225.05559	0.8
227.03354	0.5
227.07120	0.5
229.01495	0.4
229.05229	0.6
231.06630	0.4
239.03549	0.4
240.04259	0.6
241.05086	1.2
243.02908	0.6
248.15984	0.2
253.04939	1.0
255.02960	1.0
255.06526	0.9
256.03528	0.4
257.04471	0.6
269.04669	1.3
269.07245	0.3
270.05136	0.5
271.06198	0.4
281.04556	0.4
284.03226	7.8
285.03973	6.9
286.04492	0.3
297.04007	15.1
298.04782	8.7
298.08289	0.3
299.05566	15.7
300.05890	1.0
309.04120	0.6
311.05591	2.7
324.02673	0.8
325.03555	1.0
327.05051	89.9
328.05426	5.5
339.05032	3.5
341.06589	0.7
351.05286	0.3
357.06104	25.6
358.06558	1.8
369.06036	2.3
393.06125	1.0
411.07071	0.6
429.08105	0.4
445.09482	0.5
447.09259	100.0
448.09625	8.7
474.79315	0.3
566.63544	0.3
772.07611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	1.5
71.01375	26.9
71.55657	1.2
72.01712	2.3
72.99289	2.4
73.02943	9.2
75.00869	13.0
83.01374	3.5
85.02940	18.0
86.00089	1.0
86.03281	1.8
87.00861	7.2
87.04510	2.7
89.02442	4.4
92.88731	0.9
95.01389	3.2
99.00875	12.9
101.02433	3.8
113.02485	7.8
114.02711	1.2
115.03962	1.8
121.02942	2.4
123.04514	1.1
127.16563	0.9
131.03496	8.2
135.04497	3.1
143.03487	4.0
144.08763	1.1
147.04492	3.1
151.06377	2.4
157.01448	1.4
159.04504	5.0
160.04021	1.5
161.05998	1.6
174.05569	3.5
175.04016	2.3
175.06372	43.8
176.06808	1.2
189.05574	4.8
201.05469	1.1
203.07100	4.2
205.07085	2.1
211.13367	6.7
219.08965	19.1
253.09181	1.1
277.21759	7.5
291.64651	0.9
300.16074	37.0
301.16345	2.7
309.20621	1.0
310.21088	1.4
318.17047	14.0
326.17651	3.8
327.21997	1.2
331.18314	1.1
344.18631	46.4
345.18918	4.1
362.19672	19.0
363.19702	1.4
415.46729	1.0
438.34613	2.9
516.07483	1.1
553.33081	1.0
554.25446	1.1
580.27673	2.1
598.28558	15.2
599.28796	1.8
814.47266	3.6
851.38983	1.3
858.50000	89.7
859.50488	18.6
893.49200	2.6
894.49274	100.0
895.49451	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	894.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
67.67381	0.8
71.01382	3.5
71.09875	1.3
73.02940	1.3
82.37019	0.6
83.01353	0.8
85.02918	1.4
86.11866	0.7
87.00871	1.1
94.15773	0.7
95.05003	0.8
96.96025	0.9
99.00859	0.9
101.02438	1.6
113.02428	0.9
118.76060	0.7
121.02953	2.1
122.03724	1.1
123.04494	0.7
135.04536	4.1
143.04980	0.7
147.04523	5.5
151.06329	1.5
159.04482	4.2
160.03981	1.8
161.05893	1.1
174.05618	5.2
175.06364	60.3
176.06783	2.4
183.13837	1.1
187.03931	0.7
189.05557	4.7
201.05461	1.4
203.07176	4.6
211.13362	5.9
219.08977	22.3
220.09288	0.9
249.71718	0.7
271.13318	0.9
272.21490	0.8
277.21713	10.5
278.21817	1.0
300.16037	50.2
301.16318	3.0
316.18912	1.7
318.17056	11.9
319.17203	0.9
326.17618	2.1
327.15634	0.9
344.18625	50.1
345.19031	4.1
362.19724	12.5
363.19843	1.0
373.39191	1.1
508.73602	0.7
554.26233	1.3
580.27844	1.2
598.28619	11.9
599.28748	1.3
699.48560	0.7
814.47101	5.8
858.50006	100.0
859.50159	19.2
894.49677	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	893.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64706	0.3
67.01888	0.5
68.99811	2.0
69.03452	1.1
71.01378	27.9
72.99306	2.2
73.02946	8.6
75.00871	12.5
75.01304	0.6
77.01919	0.3
83.01381	3.8
85.02946	23.0
86.00089	1.8
86.03278	0.4
87.00874	7.2
87.04517	2.6
89.02438	2.6
95.01389	3.5
95.67348	0.3
96.95994	0.3
97.02951	0.4
98.20636	1.0
99.00877	12.8
99.04523	0.4
101.02452	3.1
103.03972	1.4
111.00855	0.6
112.01681	0.6
113.02440	10.0
115.00375	0.6
115.04007	2.2
119.03472	0.4
125.02344	0.5
127.04088	0.3
131.03503	6.3
137.09723	0.3
139.00359	0.4
143.03496	5.1
145.05043	0.8
147.04526	0.5
153.22015	0.3
155.50629	0.3
157.01378	0.6
163.06058	1.0
171.10277	0.3
172.80557	0.3
175.06380	3.2
205.07129	2.3
211.13341	0.6
219.08980	1.0
253.09315	0.7
277.21750	0.5
300.16125	3.0
309.20654	1.0
318.17123	0.8
327.21533	0.8
334.44315	0.3
335.71243	0.3
344.18567	3.0
362.19620	1.4
405.27704	0.3
421.31039	0.8
437.34222	3.3
438.34369	0.4
439.35489	0.4
464.34433	0.3
507.38358	1.5
545.29688	0.3
597.37708	0.5
598.28363	1.2
660.29785	0.3
692.47211	0.3
827.88300	0.3
858.49945	7.0
875.47961	1.3
893.48987	100.0
894.49274	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	891.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
63.00552	6.0
70.12070	15.8
96.25922	6.1
96.96011	13.7
98.20567	6.5
102.87027	5.4
105.01984	8.4
116.92862	11.5
117.26426	5.6
129.66507	5.7
171.10278	13.0
197.11819	14.6
211.13310	9.0
235.08109	13.8
253.09219	39.9
291.19580	18.8
309.20676	100.0
327.21735	71.9
328.22195	5.8
330.87439	6.6
375.90790	6.1
545.29669	29.0
563.30603	13.3
619.42303	8.0
855.51068	23.1
891.48602	78.2
892.48859	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	893.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02391	0.6
65.00312	0.7
65.00829	0.1
67.01881	0.1
68.99786	0.2
69.94026	0.6
71.01377	2.4
72.99289	0.3
73.02937	0.1
75.00864	0.7
83.01382	0.4
84.77271	0.1
85.02952	2.5
87.00873	0.9
89.02413	0.2
95.01391	0.6
99.00871	1.2
103.00368	0.3
103.85384	0.1
105.03436	0.3
107.01377	1.3
109.02930	0.6
110.67168	0.1
113.02451	2.0
115.00362	0.3
117.01922	0.4
117.03397	0.2
121.02968	0.6
126.13394	0.1
129.01927	0.3
133.02942	5.3
134.03239	0.2
135.04442	0.1
147.04559	0.1
149.02444	1.6
151.00363	3.3
171.04443	0.3
173.06033	0.2
175.02539	0.3
175.03989	2.2
177.01883	0.3
185.06039	0.3
189.05556	0.2
197.06081	0.3
198.03203	0.5
199.03975	1.8
201.01956	0.7
212.04611	0.2
213.05492	0.3
215.03487	0.4
217.05043	1.1
229.04990	0.2
239.03441	0.2
241.05008	0.8
243.03055	0.6
257.04510	0.4
267.02887	0.3
268.03729	0.1
283.06134	0.6
284.03375	0.6
285.04025	100.0
286.04358	5.7
297.04071	0.6
298.04770	0.1
299.05615	0.2
311.05542	0.9
327.05002	1.2
355.04529	0.2
357.06082	0.9
369.05966	0.1
381.06174	0.4
431.09836	0.7
461.07217	52.1
462.07568	4.8
554.42938	0.1
607.64490	0.1
791.99799	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	889.4968
Annotation	Brachystemin E
Peak:m/z	Relative Intensity
63.22652	0.2
67.01884	0.5
68.99818	2.2
69.03454	5.0
69.93266	0.4
69.93661	0.7
71.01378	12.8
72.99300	1.4
73.02943	3.6
75.00867	14.0
75.76431	0.2
81.03457	0.5
83.01380	2.5
84.02158	0.4
85.02946	14.1
86.00073	0.4
86.03261	0.3
87.00880	0.9
87.04501	0.3
87.71847	0.2
87.85802	0.3
89.02435	1.4
92.78970	0.2
95.01384	2.9
97.02333	0.5
97.02949	6.7
98.19883	0.2
99.00876	12.2
99.04523	0.2
99.33331	0.2
101.02459	1.7
103.03997	0.7
111.00884	0.4
112.01664	0.5
113.02451	6.6
115.00377	0.3
116.92844	0.9
116.97258	0.4
125.02443	11.4
126.98873	0.3
127.03942	0.3
129.01949	0.5
142.02661	0.2
143.03548	0.4
157.01428	1.1
158.79764	0.2
265.88715	0.2
307.19266	0.3
399.15372	0.3
465.37213	0.4
565.38849	0.6
786.48901	0.3
789.47205	0.5
889.49493	100.0
890.49774	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	889.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	1.5
69.03449	0.9
71.01380	17.4
71.25116	1.2
72.99316	1.4
73.02946	2.8
81.03462	1.1
83.01374	2.6
85.02950	4.2
87.00867	5.1
89.02443	13.5
95.01393	1.2
97.02955	2.6
99.00891	1.1
101.02445	13.2
106.75686	0.7
109.02964	0.7
111.78967	0.6
113.02447	6.7
119.03490	3.9
124.01561	0.7
125.02441	7.7
125.09736	1.3
127.11272	1.8
131.03461	1.2
139.03963	0.8
140.55225	0.6
143.03503	2.7
150.50887	0.5
155.70728	0.5
161.04530	4.6
171.10265	100.0
172.10638	3.2
179.05609	2.9
199.06094	0.9
217.07120	1.5
221.06641	1.6
233.08034	0.6
235.08231	6.4
253.09325	0.9
259.08243	1.6
277.21710	73.8
278.22009	5.7
287.07813	3.4
305.08859	1.9
308.14755	0.6
379.12421	21.7
380.12817	1.1
397.13492	47.1
398.13861	2.2
415.14520	7.5
416.14886	0.7
448.53934	0.6
504.27182	0.6
551.23547	4.9
569.24304	3.1
657.34827	2.3
664.64783	1.0
675.35797	5.1
889.50690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	0.8
71.01382	15.0
71.55489	0.6
72.99305	1.3
73.02941	2.5
74.91657	0.4
81.03445	0.6
83.01373	1.4
83.58737	0.6
85.02951	4.2
87.00881	3.9
88.19810	0.5
89.02440	11.8
94.25911	0.5
95.01372	1.0
97.02943	1.8
99.00888	1.1
101.02438	11.7
109.02933	0.4
113.02444	7.7
115.04065	0.6
116.92826	1.0
117.63452	0.6
119.03488	3.1
124.01733	0.5
125.02443	5.6
125.09669	1.2
127.11294	1.9
137.02432	0.5
143.03494	2.5
147.74440	0.5
154.80551	0.5
161.04550	3.8
167.03539	0.5
171.10263	100.0
172.10629	2.9
179.05568	3.2
199.06042	0.7
217.07132	1.3
221.06604	1.4
235.08217	5.4
236.39806	0.6
244.53107	0.6
253.09315	0.8
259.08154	1.0
263.07687	0.5
277.21698	57.9
278.22125	3.4
287.07687	2.1
305.08728	2.2
323.09772	1.1
361.11880	0.5
379.12448	16.5
380.12631	0.6
397.13489	40.7
398.13766	2.7
415.14536	7.8
416.14938	0.5
551.23389	5.7
569.24542	4.5
582.99976	0.5
599.36481	0.5
657.35364	1.7
675.36005	2.5
790.98975	0.6
889.50867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	16.1
62.49973	7.8
69.32797	54.7
69.33212	22.3
89.02464	10.0
96.95995	17.9
99.92628	8.9
115.33044	8.5
116.92834	44.2
121.35143	9.1
171.10257	15.5
190.88000	8.5
209.11856	12.7
235.08144	12.1
253.09177	33.9
262.29395	8.1
281.49448	10.6
289.18109	25.8
307.19052	26.3
309.20679	29.0
325.20169	27.8
327.21811	45.8
463.66470	9.0
473.83307	9.9
545.29706	9.1
563.30847	13.6
853.48608	16.2
889.46948	100.0
890.48157	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	885.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	30.1
69.03450	0.8
71.01379	16.8
72.99306	1.2
73.02946	2.9
75.39780	0.4
80.96497	0.6
81.03449	0.6
83.01377	2.0
83.05033	0.8
83.79523	0.4
85.02950	4.2
87.00849	2.6
89.02441	13.0
95.01382	1.2
97.02956	2.5
97.06564	0.5
99.00869	0.8
101.02440	10.8
111.04533	0.4
111.08157	1.1
113.02440	5.4
119.03508	2.4
125.02435	3.2
131.45865	0.4
143.03528	1.0
161.04527	1.9
165.12834	5.7
179.05640	1.5
183.13889	46.7
184.14207	1.6
209.11816	0.9
221.06631	1.6
227.12804	3.2
235.08217	1.7
253.09346	0.6
259.20679	0.5
277.21695	43.4
278.21991	2.9
379.12231	1.1
397.13495	7.5
398.14178	0.4
415.14603	1.8
607.26031	1.0
625.27161	1.0
867.47107	0.7
885.48462	100.0
886.48804	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	889.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.8
71.01378	29.3
71.05005	1.0
72.99302	1.3
73.02943	17.3
75.00865	0.7
83.01385	12.8
84.45259	0.6
85.02942	11.8
87.00874	1.5
89.02429	8.4
95.01406	1.6
96.95991	1.1
97.02993	0.8
98.19883	2.1
99.00835	2.9
99.04514	10.4
101.02435	24.0
109.06596	1.0
111.00904	0.6
113.02437	13.8
113.03159	1.1
119.03468	4.3
125.02438	1.0
131.03519	1.0
137.09705	1.4
143.03484	1.7
149.04662	1.1
159.02950	1.0
161.04527	7.6
162.85829	0.7
163.07556	1.2
163.11188	0.7
165.12836	18.7
179.05603	1.0
183.10245	0.6
189.12837	3.6
191.14398	6.4
203.05568	3.3
205.03497	0.7
205.12218	0.8
207.13861	12.7
208.14235	1.7
209.11816	27.1
209.15399	7.4
210.12120	1.6
221.06624	0.7
223.76907	0.6
225.14929	5.8
231.13901	0.9
233.12022	0.7
251.12881	8.0
253.04973	0.7
267.15839	0.7
269.13919	66.8
270.14221	3.9
275.12863	2.7
275.16266	1.2
283.06204	0.9
293.17630	1.4
311.05618	2.1
311.14896	2.3
327.18219	0.7
341.15854	3.9
353.19571	2.1
371.16895	7.8
371.20786	12.5
372.17130	1.0
413.21790	50.2
414.22171	4.5
431.09680	3.3
431.19165	100.0
432.19516	8.1
433.19730	1.5
724.22351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4846
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98825	2.5
67.01833	0.5
68.10678	0.4
69.03456	1.4
70.82468	0.4
71.01376	16.6
71.33765	0.6
72.99291	1.4
73.02950	3.1
81.03454	0.5
83.01385	1.6
85.02940	3.7
86.53551	0.5
87.00870	2.0
89.00327	0.4
89.02436	12.5
95.01380	1.0
97.02942	2.4
97.06549	0.5
99.00889	1.0
101.02440	11.1
111.04544	0.5
111.08142	0.8
113.02444	6.1
119.03503	2.3
125.02414	2.9
127.04008	0.5
139.04012	0.6
143.03477	1.6
161.04572	1.3
162.77432	0.4
165.12849	7.8
179.05566	1.7
183.13885	57.7
184.14233	1.8
209.11794	0.8
221.06670	2.6
227.12819	5.2
235.08203	2.2
263.07748	0.6
277.21695	27.2
278.21985	2.1
307.08890	0.4
379.12515	1.2
397.13388	7.4
415.14520	1.2
418.98807	0.5
498.99475	0.5
607.26465	0.7
625.26874	1.9
695.83453	0.5
867.47467	0.6
885.48468	100.0
886.48737	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	881.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18291	0.9
61.98826	8.2
69.03441	1.5
71.01376	11.1
71.56239	1.1
72.99316	2.4
83.01399	2.4
85.02946	2.4
87.00874	4.0
89.02432	4.6
97.02950	3.5
99.00866	3.2
101.02441	7.0
111.00928	1.4
111.08143	3.6
112.98821	6.3
113.02435	3.9
115.00352	3.7
119.03482	1.2
121.10201	2.1
124.98738	1.1
125.09709	1.2
137.09677	1.5
142.99861	7.7
143.03421	1.4
145.01518	1.0
156.00618	1.1
161.04527	3.3
165.12808	4.4
169.12305	1.5
171.10268	16.6
173.00894	3.9
174.01662	8.3
175.02480	5.4
179.05702	1.3
179.14255	1.0
181.12312	1.5
183.13870	2.0
193.12415	1.2
193.50555	1.1
195.13895	7.1
197.11813	15.2
198.12164	1.0
201.11357	4.7
209.11797	8.3
211.13391	22.0
223.13382	6.1
227.12877	3.3
235.08203	7.8
247.20615	2.4
253.09270	32.7
254.09433	1.3
255.23279	6.0
262.17697	1.2
263.20035	1.3
275.20099	20.5
275.22833	1.7
276.20529	2.0
277.21710	29.3
291.19632	26.1
292.19980	2.1
293.21207	100.0
294.21548	5.9
309.20685	76.2
310.21024	3.4
353.79395	1.0
397.13431	4.4
447.22787	1.2
527.28552	1.7
529.30347	3.0
545.29456	3.4
585.41473	4.5
687.48291	1.0
763.42114	1.9
803.41461	1.6
881.49664	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	881.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98810	0.9
67.01880	0.6
68.99803	2.4
69.17722	0.6
70.19482	2.0
71.01376	22.6
72.99303	2.5
73.02938	3.5
75.00870	11.5
83.01385	4.1
85.02948	13.0
87.00875	1.5
89.02440	8.1
95.01375	5.3
96.95993	1.5
98.19979	0.7
99.00267	0.9
99.00877	14.2
101.02428	10.3
108.73039	0.6
112.01663	0.7
113.02454	10.0
119.03477	2.3
125.02477	0.7
144.03067	0.6
157.01396	0.8
271.87686	0.6
439.35800	0.8
465.37558	1.0
498.99014	0.6
611.43304	0.9
805.47858	1.1
881.48987	100.0
882.49219	18.0
882.65784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	2.3
69.03444	4.0
71.01378	100.0
71.56934	2.3
72.99305	4.2
73.02943	38.5
75.00877	3.1
83.01382	13.7
85.02950	26.9
87.00878	3.3
89.02432	26.4
95.01385	7.9
96.96004	18.6
97.02981	2.8
99.00879	8.4
101.02435	60.1
113.02437	33.6
119.03508	11.0
125.02431	5.3
131.03482	6.1
132.19829	2.5
143.03441	9.6
149.04538	8.7
159.02899	2.4
161.04553	27.8
165.05612	2.3
167.03433	2.6
170.01076	1.9
179.05624	3.8
191.14429	5.4
203.05603	38.9
205.04890	2.1
209.08202	2.2
209.15451	5.7
221.06578	4.4
242.50122	2.0
285.04065	4.7
289.16394	5.7
302.95639	2.0
371.20654	19.5
379.18246	1.9
413.21768	93.2
414.21988	8.8
421.20789	33.6
422.20773	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	879.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27814	2.0
71.01373	9.3
81.03487	2.6
89.02441	6.5
95.05035	2.2
96.28220	2.3
97.02930	2.5
97.06596	3.6
98.20658	6.1
101.02428	5.4
113.02434	4.3
121.10222	7.7
123.04530	3.3
125.09702	5.1
137.09700	5.8
142.52863	2.2
161.04585	2.9
163.11288	8.2
171.10240	26.9
185.11823	8.4
191.10667	2.1
191.14372	7.9
195.13824	5.3
197.11868	3.9
203.35226	1.9
207.10222	4.0
209.11784	16.4
211.13409	3.7
225.11241	4.0
235.08253	8.0
237.11313	5.9
245.19020	20.7
245.74802	2.6
253.09264	35.4
255.23297	3.2
263.20065	5.5
271.17160	4.6
275.20142	40.7
289.18085	100.0
290.18332	7.6
291.19571	12.3
292.20065	2.1
293.21213	95.5
294.21503	6.9
307.19150	86.0
308.19418	5.8
309.20630	8.6
461.35886	2.1
507.25980	2.2
525.26855	5.2
543.27991	4.0
589.00098	2.4
819.48749	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	879.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	8.1
69.77362	9.8
71.01376	23.0
73.02937	8.1
83.01375	4.6
85.02956	13.0
87.00895	2.8
89.02426	3.6
95.01344	2.7
96.96029	14.0
98.95564	2.1
99.00869	3.9
101.01877	1.9
101.02450	17.6
103.13906	1.9
105.05563	2.3
110.06126	2.5
113.02460	13.8
122.06081	7.2
125.02426	4.3
134.06100	9.4
135.04553	2.1
137.02419	4.4
144.04549	3.7
159.03004	2.7
161.04555	8.0
171.37424	1.8
174.01665	2.0
174.05582	2.1
188.03500	4.1
201.10271	3.1
203.05829	5.9
211.13440	2.8
213.10339	19.7
225.10266	4.2
239.08034	2.2
239.11931	3.2
241.13416	2.5
251.11807	7.6
262.07617	2.1
263.08072	1.8
265.09662	2.4
267.11288	23.2
285.12494	20.0
293.12964	2.5
314.12970	3.1
319.10437	4.0
329.11539	2.0
329.15445	5.9
341.11511	3.2
342.16345	2.1
343.12958	6.6
354.12329	2.7
356.13968	10.3
357.14487	2.2
368.14011	3.1
370.15475	6.4
371.16434	2.6
372.17038	5.4
381.11172	2.4
382.11871	8.2
383.16443	2.2
384.13300	5.6
385.13812	2.8
396.13458	7.5
397.14093	6.9
398.15051	20.7
399.15527	3.7
411.15643	4.0
412.16473	6.6
413.17017	2.3
415.14902	2.3
438.14401	2.5
465.18842	2.3
479.20883	3.6
486.43878	2.2
493.22675	2.6
519.20660	2.7
533.21881	2.8
535.22998	40.9
536.23145	4.0
537.21381	4.4
549.21405	4.3
557.24103	3.2
561.21582	12.1
579.13544	3.7
579.22467	54.2
580.22394	4.2
589.32227	6.1
611.24854	9.2
702.66724	2.1
805.32733	5.1
806.34143	7.9
829.33038	3.2
847.34216	17.8
849.35382	3.3
861.34918	11.7
879.36591	100.0
880.36798	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	876.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	1.1
70.02958	0.5
71.01379	1.8
71.55726	0.6
77.39473	0.4
82.90901	0.4
85.02977	0.9
87.00884	0.6
89.02443	1.2
93.03430	0.6
96.96015	0.6
101.02443	1.6
121.02970	2.7
122.03703	1.1
123.04502	0.4
123.34588	0.4
135.04524	3.9
146.03752	0.5
147.03314	0.7
147.04497	5.5
150.05611	0.6
151.06389	2.0
152.07150	1.7
159.04492	4.9
160.04019	1.4
161.06088	1.7
162.05641	0.6
163.03999	0.7
171.04532	1.0
173.06046	1.2
174.03297	0.6
174.05582	6.0
174.06920	0.8
175.03957	3.0
175.06371	73.6
176.06805	3.1
178.08717	1.6
183.13860	0.7
187.03996	0.5
188.04654	0.7
189.05566	7.1
190.08745	0.5
201.05518	1.6
203.07138	6.9
211.13387	6.2
219.08983	30.8
220.09343	1.7
253.09406	0.9
271.13452	0.6
273.14673	0.5
277.21698	11.9
278.21902	0.6
282.15027	0.6
283.13275	0.8
288.15884	0.8
294.72867	0.5
300.16046	60.1
301.16449	3.3
309.15128	0.5
314.68777	0.4
316.19257	1.2
318.17062	13.4
319.17303	0.9
326.17627	1.5
327.15912	0.8
344.18628	63.8
345.18979	4.8
362.19720	14.8
362.24432	0.5
363.20020	1.1
554.25940	1.8
580.27515	1.6
598.28668	16.2
599.29028	2.0
814.47369	6.8
815.47998	1.0
858.50031	100.0
859.50354	18.2
876.51251	0.7
888.57935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	0.3
67.01876	0.7
68.99816	2.7
69.03454	4.3
70.40392	0.2
71.01379	22.1
71.58471	0.2
72.99305	2.0
73.02940	2.1
75.00868	15.4
81.03430	0.3
83.01382	4.2
84.01707	0.3
85.02944	13.9
86.00083	0.6
87.00881	1.1
89.02436	7.3
95.01385	3.8
96.95973	0.3
97.02944	7.7
99.00875	13.2
99.04496	0.3
100.01169	0.2
101.02422	1.6
106.70641	0.2
111.00867	0.5
112.01625	0.5
113.02445	6.9
115.00360	0.4
116.92838	0.7
116.97220	0.5
121.02917	0.7
122.03677	0.2
125.02439	12.3
129.01968	0.3
131.03459	0.5
139.00340	0.3
149.04509	0.3
151.06396	0.5
152.07150	0.7
157.01396	1.0
166.84676	0.2
175.06380	1.2
175.07651	0.3
178.08524	0.2
218.99313	0.2
249.06177	0.2
277.21609	0.3
300.16068	1.2
308.09137	0.2
316.19141	0.7
317.19409	0.6
318.17111	0.4
332.29178	0.2
344.18631	0.4
360.18103	0.2
361.18509	0.3
362.19394	0.2
408.93512	0.2
465.37024	0.3
565.38837	0.7
566.39276	0.2
567.40533	0.3
614.26276	0.2
619.50824	0.2
681.42590	0.2
719.81396	0.2
775.45709	0.4
814.75677	0.2
858.50409	1.6
875.47949	100.0
876.48248	18.0
888.66003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	0.2
70.39442	0.2
70.67662	0.6
73.02949	0.4
77.03973	0.5
79.01897	0.5
81.03445	0.4
83.01394	0.5
92.82288	0.2
97.02940	0.7
105.03454	0.5
107.01358	0.5
109.02971	1.9
113.02430	0.6
118.06448	0.2
119.05055	1.1
121.02945	1.4
123.00912	0.3
125.02435	1.2
133.02942	11.1
134.03561	0.3
135.04485	1.2
137.02422	0.4
145.02881	0.4
147.04506	1.2
149.02444	1.3
151.00343	0.4
151.03973	0.8
161.02388	1.1
163.00380	1.8
163.04019	2.8
165.01906	1.5
173.02475	0.5
175.00368	0.4
175.03955	2.9
177.01932	0.9
185.02370	0.5
187.03960	0.4
189.01907	0.4
191.03477	1.9
193.01408	1.7
197.05975	0.2
199.03958	1.2
201.01929	1.5
203.03522	0.5
209.06152	0.2
211.03870	0.5
213.05617	1.3
215.03571	0.3
217.05228	0.3
225.05583	0.8
227.03429	0.5
227.07021	0.5
229.01358	0.4
229.05099	0.5
231.06592	0.3
233.04494	0.3
237.05579	0.4
239.03560	0.4
240.04259	0.9
241.04997	0.9
243.02956	0.6
253.05035	0.9
255.02890	0.7
255.06641	0.6
256.03516	0.2
257.04471	0.5
267.06561	0.3
269.04568	1.0
271.06070	0.4
281.04639	0.7
283.06104	0.4
284.03244	9.7
285.04016	6.9
286.04294	0.3
297.04025	15.5
298.04733	9.5
299.05566	17.4
300.05884	1.5
309.03986	0.9
311.05588	2.9
324.02579	0.4
325.03510	1.0
327.05060	99.5
328.05450	7.0
339.05023	3.1
341.06659	1.0
351.05124	0.3
357.06128	27.0
358.06366	1.7
369.06036	2.7
393.06070	0.8
399.07037	0.3
411.07077	0.4
429.08170	0.3
447.09277	100.0
448.09641	8.7
606.91425	0.3
639.74506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	0.3
70.13575	0.7
70.13962	0.6
73.02937	0.7
77.03951	0.5
79.01893	0.6
83.01379	0.4
93.03499	0.3
97.02928	0.5
105.03423	0.4
107.01360	0.5
109.02959	2.0
113.02423	0.3
117.03535	0.3
119.05022	0.9
121.02928	1.2
123.00858	0.4
125.02429	1.3
133.02950	9.7
134.03775	0.6
135.04507	1.1
137.02393	0.5
147.04517	1.1
148.01616	0.4
149.02415	1.3
151.00365	0.6
151.03943	0.4
161.02415	1.4
163.00360	1.3
163.04031	2.4
165.01918	1.8
173.02452	0.6
175.00468	0.3
175.02647	0.5
175.03983	2.7
177.01912	0.8
189.01991	0.4
191.03482	1.8
193.01378	1.4
198.03249	0.4
199.03943	1.3
201.01842	1.5
203.03429	0.5
209.06181	0.3
211.04070	0.3
212.04800	0.3
213.05536	1.0
215.03403	0.4
217.05109	0.5
220.50528	0.3
224.04726	0.3
225.05547	0.8
226.02650	0.4
227.03467	0.5
227.07147	0.6
229.18942	0.3
237.05618	0.4
240.04170	0.7
241.05083	1.0
243.02876	0.5
253.05055	1.2
255.02986	0.9
255.06674	0.7
256.03760	0.4
257.04568	0.4
259.06009	0.4
269.04523	1.4
270.05225	0.3
281.04358	0.4
283.06201	0.4
284.03262	8.1
285.04044	6.5
297.00623	0.4
297.04041	12.7
298.04767	7.6
299.05576	17.8
300.05975	0.9
309.04053	0.7
311.05557	2.1
324.02676	0.7
325.03476	0.9
327.05066	94.9
328.05450	6.7
339.05078	3.1
340.05496	0.5
341.06677	0.9
357.06119	25.1
358.02487	0.3
358.06311	2.1
369.06189	2.3
393.06219	0.8
411.07294	0.4
447.09286	100.0
448.09622	9.8
448.15927	0.4
591.75049	0.3
864.33386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.477
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10297	4.4
69.18694	4.6
70.55114	10.5
75.33163	4.1
76.61366	4.0
77.33486	4.0
125.86485	4.7
171.10342	5.9
188.98070	4.2
197.11832	8.9
211.13441	4.7
253.09343	15.9
255.30507	4.7
291.19531	31.5
309.20676	100.0
310.21066	11.8
543.32373	4.5
545.29730	12.6
873.47943	68.2
874.48401	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	871.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	1.2
69.03458	2.9
71.01380	84.0
71.55410	1.1
71.55795	1.4
72.01716	0.9
72.99306	3.5
73.02946	82.4
75.00874	2.3
77.91444	0.8
80.24499	0.9
81.03472	1.1
83.01382	28.6
84.62367	0.7
85.02949	15.2
87.00874	3.0
88.98813	0.8
89.02438	31.0
93.03471	1.0
95.01376	4.6
96.96004	6.3
97.02960	2.0
99.00891	3.3
99.04504	1.0
101.02441	100.0
102.02789	1.4
111.00928	1.5
113.02449	37.6
118.82697	0.8
119.03502	19.1
125.02438	3.8
131.03511	10.4
137.02446	1.7
143.03497	13.7
147.04485	1.2
149.04547	30.5
155.03471	2.8
161.04552	51.8
162.04807	1.2
165.05511	0.8
179.05659	3.7
183.95593	0.8
189.09137	0.8
203.05557	6.4
221.06642	22.7
222.06850	1.0
261.13336	2.0
261.81067	0.9
267.06613	1.7
277.73035	0.8
295.06183	1.3
303.14462	11.8
357.90430	1.1
361.29581	3.1
397.11377	1.4
523.34833	44.3
524.35150	5.2
549.38660	1.0
579.33661	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	871.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	22.5
68.99558	33.6
71.25845	14.8
71.58590	20.8
77.90931	15.0
96.96017	43.9
112.98551	16.8
151.32846	15.1
154.02759	14.4
179.22650	18.3
235.08130	18.5
253.09193	16.8
289.18057	27.1
307.19019	48.4
309.20712	53.4
323.55188	14.9
338.42261	16.3
347.91702	14.8
357.16925	18.5
545.29736	19.9
871.46228	100.0
872.45435	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	29.2
68.99577	100.0
70.14883	53.0
70.85880	13.8
86.51420	13.5
96.96006	56.1
98.20552	16.0
112.98546	83.7
116.92836	17.9
118.97225	15.1
277.21802	17.2
289.18042	28.6
291.19464	33.1
307.19034	48.3
309.20673	62.2
431.56262	17.3
456.01193	15.5
871.46057	96.5
872.47131	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	871.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	0.4
70.71301	0.9
71.01381	7.7
73.02936	2.5
83.01394	1.2
85.02957	3.4
87.00859	0.4
88.72502	0.4
89.02449	1.2
96.95996	1.6
97.02938	0.4
99.00883	0.9
99.04547	0.3
101.02433	4.0
113.02454	2.3
121.02991	0.4
143.03499	0.6
147.04543	0.9
148.05299	99.3
149.05598	3.0
161.04546	2.6
163.07639	100.0
164.04877	0.5
164.07980	3.7
179.07047	0.6
203.05600	7.0
204.05774	0.4
253.04822	0.5
325.12845	0.4
327.04697	0.4
333.29590	0.4
335.66376	0.4
346.29276	0.4
367.13992	2.4
373.22287	2.4
415.23364	3.2
416.23859	0.6
579.33459	0.5
737.48456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98795	2.2
68.92797	0.5
69.03413	0.6
70.36596	1.8
71.01385	4.5
71.44198	0.5
73.14148	0.5
73.86536	0.6
78.19701	0.6
83.05029	1.1
84.98927	0.5
85.02953	1.4
87.00884	0.9
89.02441	2.2
95.01347	0.6
97.02956	3.1
101.02429	3.4
109.06625	0.6
113.02438	2.2
137.09697	1.3
145.05072	0.8
153.67287	0.6
161.04596	1.4
163.11269	1.0
165.12819	1.5
171.10298	3.0
181.12361	0.6
183.13818	1.2
195.13873	1.7
197.11894	0.8
205.12225	0.8
209.11850	0.8
211.13335	1.0
221.15375	1.8
223.13420	0.9
227.12897	1.2
233.15149	0.6
235.08226	7.8
247.20668	1.8
253.09261	15.0
254.09572	0.9
273.18661	1.6
277.21701	100.0
278.22110	5.0
291.19641	23.1
291.23050	0.8
292.20074	1.5
306.97598	0.7
309.20685	56.5
310.20920	4.5
513.30457	1.5
527.28406	1.6
545.29382	1.5
569.42090	1.3
865.50262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63943	0.3
68.99805	0.4
69.03455	1.2
69.35522	0.8
69.35923	1.8
71.01382	6.4
71.05041	0.7
73.02952	2.4
78.32140	0.4
83.01344	0.8
85.02950	1.2
95.05025	0.7
96.96014	6.0
97.02940	1.0
98.20679	0.6
101.02428	2.5
109.06582	2.0
111.08170	0.4
113.02444	1.1
121.02879	0.4
121.06599	1.2
123.08147	0.4
125.02457	0.5
128.81148	0.4
133.06631	0.5
137.09724	5.1
139.07652	1.5
143.03511	0.5
147.04529	0.7
148.05296	62.3
149.04561	0.4
149.05626	1.4
149.09682	1.3
151.07654	0.6
161.04575	1.2
163.07639	56.5
164.07982	1.7
165.12799	0.7
187.11353	0.4
189.12834	1.0
191.78325	0.4
192.11555	11.1
203.05595	8.8
207.13882	100.0
208.14220	4.5
250.70016	0.3
306.17087	0.4
309.09323	0.4
319.65149	0.4
367.13815	1.0
370.68213	0.4
538.87024	0.3
598.47760	0.4
631.88879	0.4
873.82739	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98526	0.2
69.53918	0.8
79.97887	0.1
80.32393	0.1
143.27579	0.1
165.26837	0.1
204.54868	0.1
236.83600	0.1
293.21259	0.3
294.21631	0.3
295.21942	0.3
391.24860	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	865.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	8.8
63.30531	7.4
70.92268	20.8
71.01371	19.8
80.64461	6.0
87.00861	6.8
89.02432	19.9
101.02432	13.3
113.02415	10.3
171.10275	100.0
189.53284	7.1
252.44809	7.9
277.21750	64.3
278.22147	8.7
379.12335	27.0
397.13461	65.6
551.23334	12.7
569.24683	11.8
675.35510	11.1
865.43890	63.1
866.43646	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	865.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	6.3
68.99838	1.0
71.01380	9.6
71.55533	1.9
72.99310	2.6
73.02940	3.0
75.00867	40.4
83.01404	2.2
85.02945	23.9
87.00874	2.0
95.01378	1.9
96.95991	3.3
97.20387	0.9
99.00848	3.7
101.02455	5.2
102.69701	1.0
113.02441	8.3
115.00372	1.6
152.30856	1.2
169.14998	0.9
278.51273	0.9
364.88336	0.9
779.45709	2.8
821.46887	100.0
822.47266	18.6
865.48834	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	863.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	0.7
66.07600	0.3
69.03458	1.0
70.58859	0.8
70.59253	0.3
71.01379	16.0
71.01780	0.8
72.99303	1.3
73.02941	2.3
81.03455	1.0
83.01394	1.5
85.02943	3.9
87.00877	3.5
89.02442	12.7
95.01398	1.5
97.02929	2.4
97.06625	0.4
98.20606	0.4
99.00878	0.8
101.02435	10.2
105.83788	0.3
111.00847	0.4
111.04451	0.5
111.08140	0.9
113.02449	5.1
115.04012	0.4
119.03484	2.9
125.02445	2.8
126.59486	0.4
131.03546	0.6
143.03503	1.1
145.04848	0.4
161.04556	1.7
164.98856	0.4
165.12863	5.4
179.05603	1.0
183.13885	36.3
184.14230	1.8
209.11775	1.0
221.06699	2.1
227.12930	2.0
235.08179	1.4
245.06752	0.4
253.09258	0.6
255.23277	51.9
256.23563	3.3
277.21771	1.0
280.75354	0.4
291.19705	1.6
293.21167	1.6
335.88104	0.4
379.12479	1.2
397.13477	5.5
415.14471	1.4
527.28571	0.9
607.26062	0.7
625.27209	0.5
844.11157	0.4
845.48737	0.8
863.50000	100.0
864.50397	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	865.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	5.0
69.38947	4.0
69.39378	3.5
71.01375	10.6
72.99319	1.4
73.02941	3.4
83.01380	2.1
85.02946	4.6
87.00879	1.7
88.98795	1.0
89.02463	2.3
94.06670	1.3
95.01423	1.1
96.96007	10.1
97.84503	0.9
99.00871	1.9
101.02445	7.3
110.06113	1.5
112.81745	0.9
113.02427	4.0
116.92793	1.1
120.08180	1.2
121.05302	1.1
122.06119	9.5
124.58749	1.0
134.06114	3.0
136.07719	1.1
137.02438	1.8
160.07642	1.2
161.04529	2.5
162.05472	1.0
165.05486	1.1
167.03639	1.1
174.01593	1.2
174.05646	1.5
175.02448	2.0
207.13881	1.1
213.06465	1.1
213.10315	1.1
222.07942	1.7
223.08742	2.1
227.08203	1.2
237.10315	12.5
238.10864	1.6
238.99110	0.9
239.11827	2.1
249.10356	2.0
250.07390	4.3
251.08189	4.4
251.11742	4.2
253.09912	1.0
263.08206	2.2
263.11835	2.7
264.09039	5.0
265.09769	11.9
265.12564	1.8
266.10394	1.4
267.11172	1.1
275.12039	1.2
276.08929	1.2
277.09708	5.0
278.10526	5.0
279.11276	3.2
283.10919	1.2
291.11334	5.3
292.11874	2.4
293.12964	6.2
297.12323	3.9
305.09216	1.1
305.68991	1.1
309.08768	1.8
311.69626	1.1
318.10117	1.3
319.10800	8.7
324.10843	1.1
336.11050	1.1
337.11856	2.4
342.12357	1.6
344.14059	2.5
351.13419	3.5
356.14203	1.1
358.15601	4.3
359.16241	1.2
370.11823	3.6
372.13223	8.5
372.17407	2.2
373.17822	1.2
374.18750	1.3
384.13226	2.1
385.14160	3.2
386.15024	10.3
387.15662	2.1
398.14932	2.8
399.15848	1.7
400.16605	4.5
404.16577	1.2
412.17102	1.4
414.18127	4.4
416.16254	1.4
417.16656	1.3
418.17886	8.3
426.14328	4.9
431.15100	1.1
440.15829	2.0
441.16428	1.6
458.17178	2.4
459.18195	1.5
464.78391	1.2
472.18799	1.9
473.19714	7.4
474.20068	2.9
490.19623	5.6
491.20255	2.0
492.21274	2.0
505.18707	2.4
521.24658	1.6
537.25165	3.7
542.77917	1.1
559.25366	1.2
581.23950	10.9
583.25702	1.8
595.25574	5.8
596.26056	1.0
613.26605	100.0
614.27087	14.5
621.15070	1.1
631.27472	8.5
653.64557	1.2
743.32361	2.4
833.34967	1.9
835.38373	1.2
847.36731	4.7
865.38574	28.0
866.39490	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	863.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58635	0.2
69.29413	1.0
69.29821	0.4
71.01379	1.6
73.02944	0.5
77.03133	0.1
79.93213	0.2
83.01408	0.3
85.02948	0.6
87.00847	0.2
89.02433	1.2
96.95990	0.7
101.02444	1.0
113.02432	0.7
117.03471	0.2
119.03514	0.2
131.03502	0.6
135.04518	7.0
149.04543	0.9
149.05936	0.2
161.04607	0.2
163.03993	65.5
164.04329	2.2
177.05637	0.2
178.06332	61.9
179.06746	2.0
191.05629	0.3
193.08673	100.0
194.09001	4.2
198.73538	0.2
269.14056	0.3
283.06021	1.2
289.16531	0.2
311.05630	2.2
323.05801	0.2
341.06491	0.7
397.14743	0.3
421.20697	2.5
441.02374	0.2
449.20020	0.4
678.09668	0.2
683.23224	0.3
684.41656	0.2
863.29297	0.6
886.55249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71032	0.4
77.03960	1.3
79.01870	0.7
93.03429	1.5
107.01339	0.5
117.03458	7.5
119.05016	0.6
121.02957	1.9
135.04530	1.4
148.15184	0.4
149.02422	1.5
159.04515	1.7
161.02420	3.3
163.00334	0.9
163.03986	2.9
165.01912	0.9
168.11778	0.4
173.02440	0.5
181.44322	0.4
191.03455	1.3
197.06084	0.8
203.03366	0.6
211.07666	0.6
237.05447	0.5
239.07072	1.2
268.03766	1.7
269.04590	1.8
281.04578	2.7
282.05161	1.9
283.06100	41.8
284.06442	3.1
293.04498	2.1
295.06131	1.3
311.05579	75.7
312.05881	6.1
323.05560	3.8
325.07172	0.5
341.06659	9.6
342.06927	0.9
431.09775	100.0
432.10071	10.3
855.95026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	0.4
71.01375	0.6
73.02958	0.3
74.87591	0.3
77.03960	0.5
77.45078	0.3
79.01885	0.5
83.01376	0.6
97.02937	0.6
105.03452	0.3
107.01376	0.6
109.02946	1.7
119.04984	1.0
121.02923	1.5
125.02423	1.1
133.02945	10.8
134.03760	0.3
135.04512	1.2
137.02393	0.4
145.02945	0.4
147.04498	1.1
149.02438	1.6
151.03990	0.5
161.02469	1.2
163.00354	1.4
163.04022	3.4
165.01978	1.3
165.04008	0.4
171.04538	0.4
173.02362	0.5
175.00383	0.4
175.03975	2.9
177.01915	0.9
185.05963	0.4
189.01918	0.5
191.03502	1.9
193.01347	1.6
198.03247	0.4
199.04099	1.3
201.01926	1.0
203.03349	0.4
211.03979	0.6
211.07552	0.3
212.04742	0.5
213.05534	0.9
215.03506	0.6
217.05045	0.3
225.05562	0.5
226.02644	0.3
227.03445	0.7
227.07124	0.7
229.04913	0.3
229.36238	0.3
231.06651	0.4
237.05576	0.3
240.04242	1.0
241.05142	0.6
242.02121	0.4
243.02928	0.5
253.05037	1.2
255.02853	0.4
255.06654	0.8
256.03864	0.3
257.04349	0.3
269.04617	0.8
269.45670	0.3
270.05045	0.3
271.06107	0.4
281.04410	0.6
283.06000	0.3
284.03250	8.5
285.03998	7.2
286.04462	0.4
297.04031	15.1
298.04749	8.7
299.05573	16.8
300.05872	1.1
309.03943	0.8
311.05551	2.6
312.05893	0.4
324.02698	0.9
325.03601	0.6
327.05063	97.7
328.01477	0.4
328.05392	8.0
339.05069	3.0
340.05273	0.4
341.06750	0.8
341.19299	0.3
357.06125	25.3
358.06351	2.3
369.06082	2.3
393.06168	1.0
411.07138	0.5
429.08365	0.4
447.09280	100.0
448.09644	10.0
448.15924	0.5
449.09949	0.3
896.75061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84258	0.4
69.36589	3.4
71.01376	0.9
72.29063	0.4
88.04037	7.8
91.49419	0.3
109.02913	1.3
112.54890	0.4
115.00373	1.7
132.03015	9.9
133.02934	5.3
135.04520	0.9
146.95879	0.3
149.02411	0.7
149.33377	0.4
151.03972	0.4
163.04002	0.7
172.59808	0.4
175.03998	1.4
177.01884	0.9
177.05577	0.8
191.03413	0.5
201.02142	0.7
203.03473	0.9
205.01376	0.5
235.02383	0.5
239.07265	0.7
241.05083	0.8
245.04337	0.4
250.07230	5.4
255.02824	0.4
257.04288	0.4
263.87119	0.4
267.06516	0.7
269.04550	0.5
282.05231	0.5
283.06018	0.5
284.03790	0.5
284.06830	0.5
285.03958	0.4
297.04117	1.8
298.04840	4.4
299.05426	1.7
310.04510	0.5
311.05606	3.2
312.06363	4.5
313.07159	4.6
323.05585	0.9
327.05020	3.0
339.05057	5.9
340.05533	0.7
341.06726	2.8
344.05182	0.7
351.04871	0.5
353.06607	1.6
357.05984	0.9
367.04404	0.6
369.06097	27.4
370.06216	1.8
371.07596	0.5
381.06094	3.1
399.07153	19.9
400.07431	2.2
411.07181	2.8
419.11835	0.4
429.08142	4.8
441.08228	1.3
453.08356	0.5
459.09714	0.5
471.09619	1.1
489.10315	10.1
490.10660	1.7
501.10205	0.8
519.11334	3.0
547.98779	0.4
591.13507	0.7
609.14545	100.0
610.14911	13.0
610.24945	0.4
771.31830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01711	4.1
64.94727	1.2
67.22722	1.2
69.03436	1.2
70.07795	2.8
70.08180	2.4
70.35897	1.2
71.01377	60.9
73.02948	20.0
75.00876	1.5
83.01386	7.0
85.02946	30.8
87.00886	2.0
89.02457	10.6
92.35576	1.1
92.84473	1.5
95.01391	4.3
96.96010	2.4
97.02927	2.0
99.00870	6.9
101.02434	36.5
113.02437	25.0
119.03475	1.7
127.11399	1.3
129.01990	1.5
131.03503	1.3
143.03535	2.9
151.28578	1.2
159.02975	4.5
161.04567	23.3
200.36142	1.3
203.05545	6.5
217.15988	1.5
235.17047	2.7
289.16544	10.8
311.99997	1.3
331.17642	9.8
371.77377	1.2
377.29984	1.6
379.21271	2.9
397.22269	30.1
398.22668	2.8
439.23334	100.0
440.23721	11.5
441.81003	1.6
483.21991	1.7
617.35248	1.3
633.59204	1.4
749.79694	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	858.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	0.6
69.97124	1.8
69.97519	0.9
71.01372	3.4
72.99303	0.5
73.02934	0.9
83.01409	0.5
84.69305	0.4
85.02935	0.6
87.00878	0.7
89.02457	2.1
96.96040	0.9
101.02436	2.3
113.02457	1.1
121.02963	3.2
122.03779	2.3
123.04528	1.8
134.03767	0.6
135.04538	6.2
142.94092	0.5
146.03769	1.2
147.04518	6.7
148.05247	0.7
149.04913	0.7
150.05620	0.9
151.06407	3.5
152.07220	1.4
159.04526	9.1
160.04027	2.3
160.05202	0.8
161.04787	0.8
161.06070	2.3
162.05623	0.7
163.04066	0.9
171.04514	1.7
171.10216	0.5
172.05319	0.9
173.04750	0.8
173.06078	0.6
174.03255	0.5
174.05583	9.2
175.03949	3.4
175.06372	88.5
176.06812	4.1
179.03490	0.8
183.13921	1.3
187.03882	0.6
188.04776	1.5
189.05585	7.5
190.06361	0.7
190.08730	0.9
191.09558	0.7
201.05510	2.4
203.07132	8.1
211.13374	14.0
211.15413	0.7
212.13710	0.6
218.08156	1.0
219.08989	35.6
220.09357	2.1
235.08231	0.8
241.98151	0.5
253.09279	1.1
261.14960	0.6
267.89111	0.5
271.13361	1.0
274.18088	0.6
277.21701	19.1
278.21939	1.0
282.14740	0.6
285.15018	0.6
288.15967	0.9
300.16058	71.8
301.16592	5.0
316.19193	2.0
318.17102	15.8
319.17297	1.0
326.17725	2.7
327.16000	1.1
334.20322	0.6
344.18643	84.6
345.19031	6.0
362.19751	19.5
362.24161	0.5
363.19980	1.6
467.16479	0.6
488.61551	0.6
554.26074	2.0
580.27759	3.4
598.28693	24.6
599.28802	2.3
814.47223	8.8
815.48187	1.6
858.50024	100.0
859.50348	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	857.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	11.3
71.01370	8.2
86.56004	4.7
89.02439	5.7
94.04240	4.4
96.96007	9.8
98.20744	10.4
99.92589	13.5
101.02410	6.0
116.92863	100.0
117.01881	5.2
165.90581	5.9
180.03508	5.1
199.13397	54.2
211.13193	6.1
212.35622	4.7
253.09247	14.4
275.20044	6.9
277.21719	41.5
278.21985	5.0
291.19635	11.5
293.21240	46.6
296.07675	5.1
302.34018	5.0
309.20621	25.3
316.22882	5.5
317.85635	5.9
397.05093	4.6
397.13278	19.2
415.14651	6.9
432.70938	5.4
529.29614	5.8
609.87396	5.4
857.47815	48.6
858.49817	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	858.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	2.5
70.16695	3.0
71.01388	3.7
73.02905	0.9
85.02968	0.9
87.00874	1.1
89.02443	2.3
96.96007	0.9
98.19936	0.7
101.02415	1.9
102.91885	0.7
121.02955	3.5
122.03683	1.2
123.04501	1.4
135.04514	6.3
146.03732	1.3
147.04507	5.9
150.05586	0.9
150.42435	0.8
151.06374	4.9
152.07176	0.8
159.04501	7.5
160.04004	1.7
160.05228	1.1
161.06076	1.8
163.04018	0.9
171.04495	2.0
171.10283	0.9
172.05214	1.3
173.06038	1.1
174.03026	0.6
174.05608	8.1
175.03934	3.7
175.06366	82.8
176.06902	4.2
183.13875	1.4
185.06079	0.7
188.04720	1.1
189.05554	7.7
190.08821	0.7
201.05508	2.1
203.07141	7.9
211.13390	15.5
212.13702	0.8
219.08981	36.6
220.09351	1.8
253.09189	0.8
262.14053	0.6
271.13300	0.9
277.21732	9.2
282.15094	1.0
283.13367	1.1
285.15268	0.9
288.16028	1.0
291.19601	0.8
300.16058	69.0
301.16568	4.6
309.20682	1.3
310.21054	1.3
316.19006	2.2
318.17096	30.1
319.17294	2.0
326.17593	3.7
327.15939	1.4
327.21695	1.5
329.22342	1.5
343.56964	0.7
344.18643	71.0
345.18942	5.7
362.19708	28.4
363.20084	1.5
374.19763	0.9
433.97586	0.7
554.25836	2.9
580.27441	3.0
598.28668	44.9
599.29016	6.4
814.47668	8.6
815.47388	2.3
858.50037	100.0
859.50348	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39600	0.9
61.98831	1.9
66.16234	0.8
69.03458	3.5
69.13731	0.8
70.89561	1.7
71.01373	8.7
73.02946	2.4
78.95884	0.9
79.95757	0.8
83.01405	0.9
85.02939	9.7
87.00881	1.9
89.02441	4.8
95.01357	0.9
95.05016	1.1
96.96009	9.6
97.02942	6.0
97.06573	4.1
98.95587	0.9
101.02442	9.0
111.08148	5.3
113.02451	2.9
119.03522	2.0
119.08687	1.2
120.41920	1.0
123.08120	0.8
125.09726	2.7
127.11246	1.2
137.09721	4.8
143.03444	1.2
145.05086	1.6
155.10666	1.2
161.04527	4.5
163.11351	1.1
165.12849	4.2
166.09747	0.9
169.12338	2.2
171.10260	30.7
172.10596	1.3
177.12770	1.3
179.05600	1.1
181.12289	1.6
183.13875	3.0
185.11806	2.6
193.12303	1.6
193.16049	1.6
197.11813	24.5
201.11325	1.7
209.11818	4.1
211.13376	18.4
212.13699	1.5
221.11734	2.6
223.13364	1.0
227.12889	1.7
229.14452	9.9
235.08208	13.7
239.12967	2.1
239.93159	1.0
247.20622	3.0
253.09280	43.1
254.09529	1.6
273.18619	2.1
291.19644	36.0
292.20065	2.8
293.21024	2.4
309.20703	100.0
310.21021	8.0
311.21255	1.1
325.20218	1.5
327.21738	98.8
328.22076	7.5
343.21100	1.7
490.00220	1.3
545.29712	7.9
563.30798	7.0
619.42181	5.0
775.58545	0.9
855.51709	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	855.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
62.59695	17.4
83.92469	16.6
84.94027	19.2
96.95998	96.5
98.95584	43.7
113.13660	16.5
122.57275	17.5
133.90082	16.9
289.17981	41.2
293.21173	35.9
307.19214	23.2
331.56708	18.5
388.09714	19.3
855.46021	100.0
856.47241	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01702	2.2
65.31261	0.7
69.03439	2.9
70.74862	1.6
71.01379	65.6
72.01721	0.9
72.99297	2.5
73.02942	100.0
73.81886	0.6
74.03265	1.1
75.00864	2.0
81.03445	1.7
83.01383	28.1
85.02944	10.1
85.06579	1.0
87.00872	1.2
89.02439	12.9
95.01388	2.5
96.96017	1.2
97.02951	2.4
98.20063	1.1
99.00865	1.8
101.02436	83.3
102.02751	1.3
107.05018	8.9
111.00886	0.9
111.37554	0.8
113.02442	29.6
114.02751	0.8
116.05013	0.8
119.03470	7.0
123.04514	0.9
123.08204	0.9
125.02436	3.2
131.03479	9.3
131.85237	0.7
135.08151	1.1
137.06071	1.0
143.03481	6.8
147.08084	1.5
149.04543	11.9
149.06007	5.8
155.03465	2.5
161.04538	20.8
163.11238	8.3
165.09360	0.8
177.12851	1.2
187.11273	4.6
189.09070	0.9
190.09944	1.2
203.05634	3.1
205.12308	63.2
206.12665	3.9
221.06667	4.0
223.13278	4.7
253.63940	0.8
305.98456	0.8
334.63586	0.7
338.12448	2.0
427.19699	1.7
497.33194	0.8
522.57025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.5
67.74621	0.3
69.03434	0.5
71.01010	0.5
71.01377	10.0
71.58012	0.6
72.99306	1.1
73.02947	6.2
79.95734	0.9
81.95324	0.4
83.01386	1.5
85.02953	2.9
85.52778	0.4
87.00857	2.1
89.02431	2.6
90.30257	0.4
93.07079	0.7
95.01405	0.9
96.96011	35.0
97.02910	0.5
97.95930	0.9
98.36094	0.4
98.95589	13.6
98.96416	1.4
99.00904	0.9
99.92566	1.1
101.01796	0.5
101.02441	7.3
106.98495	0.4
111.08141	0.6
113.02441	4.5
115.92071	2.0
116.92856	4.9
119.03497	1.4
125.02446	0.9
140.79370	0.4
143.03450	0.5
148.26178	0.4
149.01111	0.5
150.20766	0.4
161.04518	1.0
223.63911	0.4
225.92323	0.5
227.16504	6.8
241.18077	0.7
246.11591	0.4
309.24237	0.5
327.25433	2.1
339.25394	5.7
357.26440	10.8
358.26758	0.9
501.30661	8.2
502.30899	0.9
519.31689	16.7
520.32477	2.0
543.31824	4.0
544.31836	0.7
561.32751	100.0
562.33136	13.5
603.33801	1.2
767.33002	0.4
853.34607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98511	0.1
69.88293	0.3
69.88688	0.3
96.37402	0.1
289.28687	0.1
387.55539	0.1
507.95480	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	853.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01724	0.5
69.72255	1.8
71.01377	4.8
73.02947	1.6
83.01389	0.7
85.02931	2.1
89.02474	0.4
95.01377	0.4
96.95998	0.8
98.19923	0.3
99.00882	0.6
99.44135	0.3
100.84827	0.3
101.02449	1.5
108.43288	0.3
113.02460	1.2
135.04532	2.1
147.04521	1.4
148.05304	93.3
149.05621	3.6
152.92378	0.3
161.04584	1.5
163.04019	18.6
163.07648	100.0
164.04361	0.8
164.07970	4.2
165.05560	0.4
172.40320	0.5
178.06352	18.2
179.06723	0.5
193.08694	24.5
194.09058	1.4
203.05592	5.2
209.04988	0.3
325.12711	0.4
349.63889	0.4
367.13904	1.3
542.11005	0.3
752.70477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	30.3
61.98829	4.0
63.33459	1.7
71.01372	19.8
71.56819	2.9
72.99278	2.9
73.02933	8.7
75.00876	3.7
81.03451	2.0
83.01372	5.9
85.02939	8.5
87.00877	3.9
89.02446	3.8
96.96012	17.0
101.02446	14.1
110.06110	2.6
113.02455	6.0
115.00383	4.2
122.06096	8.4
125.02444	3.2
134.06122	6.4
144.04553	5.1
152.07126	4.2
161.04547	9.6
174.05701	2.0
175.02534	4.7
188.03516	2.6
201.10355	2.7
203.05809	7.1
211.08820	2.1
213.10342	13.8
237.09833	5.9
239.11882	3.4
241.13445	3.0
251.11752	3.3
263.08197	2.5
267.11374	20.2
268.11618	2.9
269.04538	3.2
285.12354	14.6
315.13550	2.3
329.15430	4.0
341.11557	2.1
341.97083	1.9
342.12369	2.5
343.12854	9.3
356.13956	11.3
368.13898	3.0
370.11511	2.4
370.15561	4.7
372.16980	5.8
382.11850	7.6
384.13449	5.3
385.17719	2.1
396.13550	6.6
396.85172	2.2
397.14072	8.9
398.15079	19.6
399.15726	3.0
410.15173	3.7
411.16046	4.1
412.16611	7.1
438.14395	3.2
440.16354	2.2
473.32245	1.9
492.21521	2.4
493.22345	2.3
495.19186	2.0
505.21988	35.6
506.22049	3.6
533.21863	2.7
537.21283	4.1
549.21503	3.9
557.23431	3.9
561.21252	10.8
569.23987	2.9
579.22424	51.7
580.22662	7.0
589.23962	3.6
611.24805	6.4
625.27197	4.0
775.31458	4.3
776.32983	7.2
799.32068	4.6
817.32800	18.3
818.33154	3.9
819.34650	3.6
831.34326	13.7
849.35510	100.0
850.35944	20.2
850.89709	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	845.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.4
61.98838	3.0
71.01382	20.0
71.47169	0.9
72.99314	1.6
73.02940	3.0
77.59280	0.8
80.96494	1.0
81.03476	1.5
83.01395	3.0
83.52185	1.1
85.02954	5.4
87.00865	4.5
88.98814	1.4
89.02444	13.8
91.45005	1.0
93.03527	1.0
95.01394	2.3
96.96002	1.2
97.02953	1.9
97.06576	1.0
101.02431	12.5
110.19641	0.9
111.08185	1.2
113.02464	5.9
119.03500	2.4
125.02444	3.2
143.03465	1.8
161.04509	2.2
161.09882	1.0
165.12823	1.3
171.10257	4.7
179.05618	4.1
209.11792	1.2
213.15068	1.7
221.06610	3.0
235.08116	2.2
239.16574	2.0
274.45953	1.2
293.21225	6.1
315.26743	1.7
325.25397	5.0
341.24661	1.9
343.26315	3.6
351.23154	2.2
359.25854	3.8
361.27353	1.9
369.24216	5.7
387.25314	12.0
388.25754	1.4
397.13416	7.1
405.26392	21.2
406.26953	2.3
415.14526	1.3
767.38861	1.4
785.39612	100.0
786.39880	19.3
838.30518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01708	1.4
61.98820	1.8
68.24115	1.0
69.03451	2.7
71.01380	50.5
71.55020	1.4
72.99302	2.6
73.02944	46.3
75.00877	1.4
83.01385	15.4
85.02937	7.1
87.00881	3.5
89.02444	14.9
95.01375	2.8
96.96027	5.6
99.00888	1.1
101.02440	49.5
102.02786	1.4
113.02443	23.7
119.03522	10.6
121.02951	2.3
123.04488	1.7
125.02446	4.5
131.03490	6.3
133.02950	2.0
135.04518	3.2
137.02463	7.7
143.03481	7.8
145.02965	4.4
146.03737	35.3
147.04453	2.6
149.02449	4.2
149.04564	13.3
150.03258	8.1
151.00330	3.2
151.03995	5.1
153.01955	1.1
159.13214	1.2
161.02444	4.9
161.04543	23.5
161.06055	8.5
162.03223	37.6
163.03914	1.1
164.04785	19.9
165.01912	26.6
165.05591	7.8
177.01939	1.8
177.04077	2.3
177.05545	29.5
178.05907	1.6
179.03604	6.1
179.05586	6.4
179.07120	32.0
180.04274	17.3
180.07431	2.7
181.04951	2.6
192.04295	2.1
194.05820	1.5
195.06615	26.0
203.05579	3.5
207.06615	3.1
210.05328	4.9
219.06650	1.7
221.06621	4.0
225.05678	1.8
225.07678	16.2
226.07773	1.2
267.08630	1.5
268.03912	1.5
269.04538	9.1
270.04749	2.2
283.06024	1.7
285.04083	2.0
299.05582	1.6
299.09171	1.9
311.05743	3.1
327.04971	3.0
327.08731	4.3
328.05499	2.1
329.05670	1.7
339.10962	2.7
342.11050	4.7
357.13449	10.0
370.35010	1.4
399.12881	2.4
405.15329	1.8
431.09970	4.3
447.09387	3.8
448.09674	2.8
449.10022	5.3
535.18652	1.3
545.13116	1.6
555.60706	1.3
565.19122	2.6
625.21442	2.3
633.21271	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.8
61.98806	4.3
69.03464	1.8
69.83492	4.5
71.01378	17.8
73.02930	3.7
75.00919	1.5
83.01379	2.9
83.05023	1.4
85.02933	5.5
86.37320	1.0
87.00871	6.2
89.02441	12.3
95.01346	1.6
96.95982	1.4
97.02898	1.4
101.02428	9.8
113.02439	4.8
119.03483	3.2
125.02411	3.9
161.04507	1.4
171.10231	2.3
179.05579	3.1
193.12143	1.2
219.13693	1.2
221.06590	2.4
235.08139	1.4
239.16495	1.7
241.17906	1.2
275.16589	1.5
275.19992	1.2
293.21249	2.6
315.26825	2.1
316.27240	1.3
325.25290	3.9
343.26511	2.5
351.23581	1.6
359.25790	4.3
369.24326	6.3
387.25385	11.6
397.13422	5.1
405.26456	20.8
406.26703	2.7
544.11340	1.2
785.39575	100.0
786.39990	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	845.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01686	0.9
61.98834	0.7
69.03450	1.0
69.56342	4.0
71.01376	30.4
71.05016	10.5
72.99310	0.9
73.02943	40.7
75.00888	1.1
81.03433	0.6
83.01382	10.3
83.63638	0.5
85.02953	5.1
87.00880	1.3
89.02444	0.9
93.03458	18.4
94.03770	0.7
95.01389	0.9
96.96004	1.9
97.02979	1.2
98.19827	1.1
99.00902	1.6
101.02443	22.3
105.03458	7.1
107.05009	1.1
108.01524	0.6
113.02448	6.4
117.03479	0.9
121.02946	17.9
123.04513	1.8
125.02438	2.4
128.03648	0.7
128.23569	0.6
134.03743	14.6
135.04515	0.7
137.02432	30.7
138.02782	0.7
143.03491	3.2
147.00887	2.7
147.04469	1.3
149.02417	2.9
149.09715	1.9
153.20520	0.7
155.03529	2.4
160.01648	1.5
161.02432	86.7
161.04590	4.0
162.02765	3.3
165.01880	0.6
177.09206	2.9
177.58646	0.6
180.50304	0.6
189.01918	33.3
190.02261	1.9
203.03696	1.3
203.05583	4.1
205.16925	0.6
219.02997	7.3
221.08168	67.4
222.08481	3.4
231.03059	3.5
253.05090	1.9
263.09006	0.8
283.05942	0.9
287.47479	0.6
289.16565	6.0
291.05057	2.0
311.05518	1.6
331.17691	3.8
341.06555	0.7
351.07217	1.2
409.88519	0.7
425.14514	4.7
569.24188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
62.24051	0.3
63.41879	0.3
64.84061	0.3
69.22085	0.7
69.22495	2.3
70.02978	0.4
71.01381	5.6
71.01767	0.4
84.80769	0.4
88.04034	68.5
89.04397	0.9
91.05536	2.2
114.01955	5.1
114.18570	0.3
115.00368	14.8
117.03497	0.9
119.04935	0.3
132.03021	100.0
133.03374	1.8
134.06148	0.8
135.04509	4.3
188.07054	0.4
206.08189	2.0
232.06155	0.5
250.07175	93.2
251.07498	4.5
282.05295	1.8
283.05878	0.5
295.06244	0.6
296.06888	0.4
297.07767	2.0
309.07822	0.4
311.05417	0.8
325.07086	0.7
353.06595	5.9
354.06967	0.4
365.06671	0.7
383.07626	3.6
395.07910	0.5
473.11115	2.0
593.15051	21.9
594.15332	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	845.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.68171	2.0
61.98825	17.9
71.01375	58.4
71.55770	2.2
72.30932	1.8
72.99305	3.3
73.02945	51.8
75.00867	3.3
80.40324	1.9
83.01383	14.4
85.02940	15.2
87.00848	4.5
88.98788	2.2
89.02442	14.2
93.03451	5.9
95.01365	3.2
96.96004	17.2
101.02435	54.9
101.03091	2.8
113.02448	25.6
119.03499	6.0
123.04485	2.1
125.02473	3.0
128.03441	3.6
131.03514	6.1
135.04578	2.9
137.02415	6.2
143.03462	6.8
143.05756	2.2
149.02443	3.4
149.04459	5.1
150.03264	5.6
151.03967	2.9
153.05583	4.2
160.01535	4.2
161.04546	14.4
165.01918	9.0
165.05484	6.7
175.03981	5.2
179.03426	2.4
179.07204	2.1
194.05919	2.3
195.06514	4.5
209.08249	3.1
221.06665	4.6
223.06082	2.9
253.05235	3.0
283.09818	3.2
294.05405	3.1
301.07175	6.9
307.06134	2.8
309.07623	6.5
311.05539	2.2
320.09363	2.9
323.09247	3.8
324.10229	10.4
327.08685	6.4
339.08618	12.2
339.12390	15.8
342.10959	9.5
350.52109	2.4
354.11002	8.8
357.13437	22.8
358.13623	3.3
369.13391	46.4
370.13690	3.8
373.13290	2.9
421.14865	5.2
463.12238	3.5
501.18094	2.9
513.17755	5.6
561.20062	5.0
573.19653	19.7
597.23291	6.2
613.23108	3.0
638.70679	2.3
647.47406	2.3
741.27527	8.8
759.28387	5.1
801.29358	17.3
802.30353	3.6
845.29675	2.5
875.07928	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	843.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01706	0.9
69.03455	0.4
70.10134	1.1
70.50095	0.2
71.01379	14.8
72.99301	0.6
73.02944	11.2
74.03290	0.2
75.00897	0.3
83.01381	3.9
85.02944	3.5
87.00899	1.0
89.02448	3.3
95.01401	1.1
95.49962	0.3
96.96014	0.8
97.02975	0.4
99.00880	1.2
99.04538	0.3
101.02436	13.1
113.02448	6.2
119.03481	1.5
121.16940	0.2
125.02470	1.0
131.03526	1.0
133.03035	0.2
137.06120	0.3
137.09747	0.5
143.03531	1.3
149.04514	1.8
151.11316	0.8
159.03041	0.4
161.04539	5.5
179.05742	0.3
189.12743	0.5
195.13838	0.3
203.05658	1.1
205.12373	0.4
207.14015	0.4
221.06750	0.7
225.14931	3.7
237.51692	0.3
297.04071	0.7
367.55930	0.3
369.19174	6.7
370.19653	0.5
387.20160	7.8
387.24869	0.5
388.20709	0.9
429.21246	20.5
430.21619	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	844.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
66.41204	0.4
67.58105	0.4
69.46880	0.3
70.71586	0.5
70.71912	0.6
71.01374	2.5
72.77785	0.4
73.02943	0.5
75.26443	0.3
88.04033	24.8
91.05538	1.0
93.03448	0.5
96.31299	0.4
98.20623	0.4
99.82649	0.4
101.02468	0.4
103.49636	0.4
114.01959	1.9
115.00357	4.5
117.03465	3.4
119.05002	0.8
122.48525	0.4
132.03017	32.1
133.03300	0.4
135.04535	3.0
147.04489	0.4
149.02423	0.7
154.45772	0.3
159.04527	0.5
161.02373	0.9
163.03914	0.9
164.15628	0.4
169.03450	0.4
175.03949	0.6
177.05530	0.5
191.03494	0.9
195.83611	0.4
203.03455	1.2
206.08167	0.9
234.12250	0.4
250.07173	25.8
250.91977	0.4
251.07399	1.3
268.07376	0.7
281.04633	0.7
282.05362	1.3
283.06143	2.2
295.06070	2.1
296.06833	1.6
297.07651	11.6
298.08054	1.1
307.06094	0.6
309.07700	1.0
311.05527	2.6
323.05426	2.2
325.07144	4.0
328.05740	2.0
335.05603	0.7
337.07199	0.9
339.08588	0.5
351.05136	0.6
353.06610	28.8
354.06992	2.4
355.08112	0.5
356.05463	0.8
365.06573	2.5
377.06671	0.5
383.07651	16.0
384.07913	1.4
395.07986	1.8
397.09491	0.5
413.08688	1.7
425.08667	1.0
473.10800	6.5
503.11829	1.5
504.12851	0.6
593.15045	100.0
594.15277	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	842.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
59.38114	0.2
61.98810	0.6
65.40390	0.2
70.13107	0.9
70.13525	0.5
71.01381	1.3
82.13160	0.3
86.93291	0.3
89.02454	0.3
101.02443	0.9
113.02460	0.4
119.03512	0.3
121.02976	0.3
122.03723	1.6
123.04542	1.6
135.04524	5.9
137.02472	0.4
142.53801	0.3
147.03270	3.9
148.04071	0.4
149.04836	1.6
151.88260	0.3
159.04532	1.8
160.04037	0.8
160.17522	0.2
161.04738	0.7
162.05598	100.0
163.05945	3.3
172.05281	0.3
173.06081	0.5
201.09198	0.7
253.09285	0.7
271.17300	0.3
277.21704	8.7
278.22015	0.9
299.16486	0.7
301.17993	0.3
302.21088	0.3
310.18457	0.3
311.16486	0.7
328.19147	37.5
329.19479	2.8
346.20203	12.8
347.20462	1.2
513.30762	0.3
564.28131	1.0
582.29169	12.2
583.29578	1.5
842.50507	26.8
843.50928	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	842.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.98833	0.5
67.84394	0.3
68.98559	0.4
69.34853	2.1
69.35258	0.7
70.17124	0.3
71.01395	1.7
71.01711	0.3
83.01389	0.3
85.02962	0.4
89.02435	0.5
98.19896	0.5
101.02457	0.9
107.73047	0.3
121.02980	0.6
122.03793	1.7
123.04546	2.2
124.01630	0.3
134.03783	0.5
134.04701	0.5
135.04527	6.0
137.43484	0.4
144.04581	0.4
147.03268	3.6
149.04829	2.1
151.06409	0.5
159.04503	0.7
160.04019	1.2
161.04597	0.5
162.05597	100.0
163.05957	2.6
173.06126	0.4
183.13821	0.5
201.09248	0.4
210.14876	0.5
219.16228	0.4
277.21674	3.9
299.16333	0.4
302.21271	0.4
304.51682	0.3
311.16565	0.7
328.19150	30.4
329.19720	2.8
346.20184	21.5
347.20483	1.7
402.22635	0.4
564.27917	1.3
582.29138	20.9
583.29572	2.5
741.83118	0.4
798.76477	0.4
842.50488	27.4
843.50958	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	841.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07613	13.8
67.18495	13.1
87.48623	13.2
98.20687	29.2
98.62782	14.5
146.98602	13.2
197.98137	15.0
202.08539	13.7
277.21750	100.0
291.19684	29.5
309.20618	64.0
482.89990	16.2
841.48798	64.4
842.49066	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	839.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	1.3
61.98830	3.8
64.59242	0.7
66.52329	0.8
69.03449	3.2
71.01380	50.6
71.58124	1.4
72.01746	1.0
72.99310	2.6
73.02945	14.4
75.00880	1.2
81.03444	0.8
83.01378	10.7
85.02946	32.3
86.00104	2.2
87.00871	5.7
89.02438	12.9
93.07133	2.1
95.01394	8.3
96.96011	9.4
97.02937	4.6
99.00887	5.4
101.02438	26.5
104.70305	0.7
106.57587	0.9
108.51735	0.9
111.00892	3.1
112.01670	3.2
113.02450	35.4
119.03508	3.5
124.01637	5.5
125.02450	11.5
137.02470	1.0
143.03481	5.7
159.02945	1.8
161.04559	6.6
165.05507	0.9
195.06631	1.0
213.18610	4.5
253.05020	4.5
328.59485	0.8
357.22900	1.1
469.31757	1.4
487.32840	7.1
505.33765	4.7
557.33649	1.2
583.34711	1.0
595.34857	1.1
613.35876	1.7
630.55011	0.9
631.36957	76.8
632.37457	8.6
649.37988	72.2
649.53955	1.2
650.38422	10.1
667.39069	12.1
668.39807	1.4
691.39099	26.2
692.39929	5.6
709.40131	30.7
710.40240	4.6
751.40948	5.2
752.41235	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	841.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01697	1.1
61.98831	1.3
66.06682	0.6
69.03466	2.6
70.81203	1.0
70.81538	1.2
71.01377	32.3
72.01742	0.7
72.99313	2.9
73.02942	9.3
75.00873	0.6
76.40156	0.5
81.03463	1.6
83.01392	8.3
85.02948	18.5
86.00105	1.4
87.00881	3.9
89.02437	7.7
92.86186	0.5
95.01377	5.9
96.96004	7.1
97.02943	5.3
99.00872	3.7
101.02436	17.9
111.00900	2.4
112.01655	1.7
113.02445	21.2
115.04055	0.6
119.03525	1.9
119.04992	0.5
124.01675	3.4
125.02441	13.1
129.01991	0.8
137.02449	0.9
143.03476	4.3
157.99445	0.6
159.02979	1.6
161.04611	2.4
211.17087	0.9
213.18573	3.2
214.52304	0.6
299.25952	2.5
323.53369	0.6
345.30042	8.4
346.30283	0.6
489.34174	7.9
490.35144	1.1
507.35352	8.0
508.35834	0.8
585.36542	0.9
597.36267	1.4
603.37964	0.7
615.37915	1.5
633.29224	0.7
633.38501	43.1
634.38885	7.1
651.39526	58.1
652.39899	10.6
669.40594	15.0
670.41022	3.1
693.28540	1.2
693.40558	29.6
694.41119	5.3
711.41681	37.5
712.42139	7.2
753.42719	6.4
754.43347	1.6
851.94971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01701	0.7
60.50977	0.7
61.98828	1.7
62.99093	0.7
69.03466	2.5
70.71685	2.0
71.01380	43.7
72.01740	0.9
72.99324	2.1
73.02943	12.4
75.00874	1.0
81.03475	1.9
83.01384	11.3
85.02950	19.6
85.03461	1.0
86.00127	1.1
87.00887	6.2
89.02436	11.1
93.07089	1.3
95.01386	5.0
96.96012	5.2
97.02947	4.7
99.00883	5.9
101.02444	28.6
101.03102	1.5
111.00912	2.9
111.08194	1.4
112.01685	1.7
113.02446	26.7
119.03524	2.5
124.01669	2.3
125.02461	8.7
129.01942	1.0
135.08170	1.1
137.02464	1.0
141.01958	0.9
143.03500	5.3
144.54578	0.8
159.03043	1.6
161.04535	6.3
177.80876	0.7
191.05453	0.7
213.18546	5.3
219.75673	0.7
241.96140	0.7
279.10934	0.9
297.12103	1.4
315.13498	0.8
316.88574	0.7
321.20245	0.7
324.50693	0.9
325.27570	0.8
343.28720	2.0
347.99246	0.8
350.32526	0.8
357.22925	2.1
375.23956	3.4
438.05450	0.8
469.31799	6.2
470.32111	1.2
487.32745	15.9
488.33450	1.2
491.72226	0.8
505.33856	5.1
528.45288	0.7
529.33771	1.5
547.34723	1.3
561.46649	0.8
595.34875	1.5
613.36517	2.0
631.36945	37.3
632.37244	4.1
649.37994	55.6
650.38245	8.7
656.23724	0.7
657.28278	0.8
667.39069	15.2
668.39935	2.3
691.39063	28.3
692.39081	4.5
709.40125	43.4
710.40674	6.5
714.00897	1.0
751.41205	9.2
752.41876	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	839.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45128	0.7
59.01377	100.0
60.01717	1.8
60.18411	0.5
61.98820	1.5
67.01889	0.7
69.03459	3.3
69.04348	0.5
69.52199	2.5
69.52610	1.1
71.01379	42.3
72.99301	3.8
73.02944	13.5
75.00866	0.9
81.03455	1.4
83.01378	9.0
85.02944	20.7
85.03463	1.0
86.00114	0.7
87.00875	5.9
89.02442	16.0
93.07122	0.9
95.01385	5.2
96.96014	2.6
97.02938	5.0
99.00877	3.8
99.04514	0.8
101.02441	25.2
102.02799	0.7
105.13826	0.5
111.00259	0.5
111.00867	3.0
111.08138	1.3
112.01672	1.2
113.02443	24.2
115.03970	0.7
119.03491	5.4
124.01649	1.9
125.02443	10.2
127.03948	0.5
131.03555	0.9
135.08147	1.2
139.03998	0.9
141.01920	0.9
143.03490	4.4
159.02997	1.4
161.04587	4.0
164.71468	0.6
179.05667	1.8
198.07225	0.6
211.17021	0.7
213.18550	3.7
237.07668	9.2
237.09885	0.7
297.12274	0.7
315.25394	0.6
343.28564	1.5
357.22815	1.6
375.23917	2.0
469.31708	1.3
471.54245	0.6
487.32675	8.4
488.33469	1.0
505.33890	5.2
511.31891	0.6
529.33643	1.1
571.35028	0.7
595.34943	0.9
601.36023	0.8
613.36267	1.3
631.36920	40.2
632.37311	6.8
649.37976	60.2
650.38251	7.6
667.38995	17.3
668.39130	2.6
691.39020	24.4
692.39758	4.7
709.40131	39.3
710.40503	7.4
751.41089	8.5
752.42206	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	839.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45525	0.3
59.01378	2.2
65.00309	0.4
67.65514	0.3
71.01373	0.5
71.56351	0.3
72.27982	0.3
77.03979	0.4
79.01892	0.4
83.01375	0.8
96.95982	0.4
97.02956	0.4
101.02445	0.4
105.03456	0.5
107.01387	0.5
108.72923	0.3
109.02938	1.3
117.03411	0.3
119.04987	0.9
121.02934	1.4
125.02406	1.0
132.02130	0.4
133.02940	9.8
135.04527	1.4
147.04491	1.1
148.01662	0.4
149.02440	1.3
151.00394	0.6
151.04019	0.6
161.02382	0.7
163.00385	1.6
163.04002	2.2
165.01834	1.5
173.02409	0.5
175.00558	0.3
175.03964	2.5
177.01805	0.8
190.99901	0.3
191.03455	2.1
193.01414	1.5
199.03972	1.1
201.01877	0.9
211.03917	0.4
212.04581	0.3
213.05493	0.9
215.03351	0.4
225.05566	0.8
227.03464	0.5
227.07045	0.3
231.06673	0.5
239.03444	0.4
240.04239	0.6
241.05052	0.6
242.02156	0.3
243.02751	0.4
245.09520	0.3
253.05051	1.0
255.02907	0.8
255.06546	1.0
256.03796	0.5
257.04535	0.7
265.04895	0.3
266.82330	0.3
269.04550	0.7
271.06195	0.4
281.04492	0.5
283.05966	0.4
284.03217	8.0
285.04007	7.2
286.04343	0.5
297.04019	13.0
298.04745	7.3
299.05551	15.5
300.05786	1.0
309.04068	0.9
311.05667	1.9
324.02676	0.5
325.03461	1.2
327.05051	91.2
328.05426	6.7
339.05054	3.4
341.06491	0.7
357.06119	24.2
358.06500	1.8
369.05988	2.3
393.06009	0.9
447.09262	100.0
448.09576	9.8
569.29291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
66.94546	0.3
69.29417	1.3
69.29842	1.7
77.03961	0.7
79.01846	0.4
83.01407	0.5
97.02944	0.8
109.02954	2.1
117.03458	0.3
119.05003	0.8
121.02958	1.7
125.02431	1.1
133.02950	11.1
135.04510	1.3
137.02382	0.6
147.04500	1.3
148.01680	0.4
149.02434	1.5
151.00314	0.5
151.04065	0.6
161.02409	1.3
163.00352	1.6
163.03992	2.9
165.01921	1.4
173.02386	0.4
175.03995	2.9
177.01915	1.4
191.03481	1.6
193.01355	1.6
198.03391	0.7
199.04010	1.3
201.01906	1.0
203.03540	0.5
211.04027	0.6
213.05534	1.2
217.05055	0.5
225.05571	0.8
227.03456	0.6
227.07094	0.6
229.05045	0.6
240.04221	0.7
241.05048	0.8
244.44646	0.4
253.04953	1.8
255.02888	0.7
255.06595	0.6
256.03555	0.5
257.04483	0.4
269.04520	1.0
284.03232	8.8
285.03992	7.1
286.04413	0.4
297.04022	15.0
298.04739	8.8
299.05573	17.4
300.05899	1.2
309.04147	0.9
311.05634	2.5
324.02869	0.7
325.03482	1.4
327.05069	100.0
328.05417	8.3
339.05106	3.4
357.06137	25.6
358.06430	1.6
369.05884	2.9
393.06070	0.9
447.09277	94.0
448.09619	10.6
528.33856	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
60.94709	0.3
61.98833	0.7
64.23872	0.2
64.41156	0.2
67.01878	0.2
69.03447	1.8
71.01382	4.2
71.05032	0.3
71.10976	0.4
73.02957	0.5
80.02674	0.3
81.03460	0.6
83.01380	0.3
83.05029	0.8
85.02959	1.2
87.00874	0.7
89.02439	2.8
95.01378	0.4
95.05009	0.3
96.96002	1.4
97.02943	6.4
97.06595	1.0
98.03680	0.3
101.02436	4.1
107.05056	0.3
109.06586	0.7
110.03750	0.3
111.00923	0.2
111.04576	0.2
111.08155	5.1
113.02426	2.3
119.03490	0.8
119.08680	0.9
121.10233	0.3
123.04560	0.2
123.08164	0.5
125.06091	0.2
125.09718	1.1
127.07652	0.5
127.11312	0.4
137.09711	2.3
141.09317	0.2
141.12868	0.2
143.03487	0.4
144.84676	0.2
145.05095	0.3
150.10503	0.3
151.11230	0.5
153.09218	0.4
153.12830	0.5
161.04536	1.9
163.11284	1.7
164.11514	0.2
165.09193	0.3
165.12846	4.7
166.09961	0.4
166.13202	0.2
167.10725	0.3
169.12325	1.8
171.10257	6.7
172.10728	0.2
175.11186	0.3
177.12825	0.4
179.05650	0.7
179.10768	0.3
179.14395	0.8
181.12283	1.5
183.13875	0.9
185.11826	0.7
190.48547	0.2
193.12328	1.2
193.16051	1.1
195.13893	0.3
197.11815	22.5
198.12170	1.3
199.13416	1.2
207.10263	0.7
209.11824	2.4
211.13368	5.4
217.15964	0.3
219.17665	0.3
221.11902	0.4
223.13454	1.0
227.12862	2.9
228.13176	0.3
229.19658	0.4
235.08224	2.4
245.19110	0.3
247.20680	3.9
248.20921	0.3
249.14963	0.3
251.16518	0.3
253.09268	19.0
254.09529	0.5
263.20123	1.4
265.18097	0.6
273.18567	2.3
291.19641	41.0
292.19986	3.2
293.21185	1.3
309.20688	100.0
310.21011	7.5
325.20166	0.4
433.20840	0.3
527.28632	1.1
545.29773	3.0
546.29535	0.4
601.40991	2.7
602.40356	0.3
837.50818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	0.7
59.01376	19.3
61.02921	0.6
61.60907	0.8
61.98818	7.3
69.03481	1.5
69.96946	3.3
71.01382	19.9
71.51311	0.6
72.99300	1.3
73.02948	3.1
73.47253	0.7
78.95918	0.7
83.01383	2.4
83.05009	0.8
85.02966	5.3
87.00896	3.4
89.02441	13.1
90.69865	0.8
95.01388	1.0
95.04990	0.8
96.96011	7.4
97.02975	2.2
97.06618	1.0
97.49464	0.6
98.20646	0.7
101.02431	12.0
111.08134	1.9
113.02453	5.7
116.92800	0.8
119.03498	2.7
120.71289	0.7
125.02428	4.5
136.29741	0.7
137.09685	0.8
143.03488	1.4
161.04546	2.4
165.12820	13.1
179.05594	1.1
183.13885	99.2
184.14235	4.0
195.48515	0.8
209.11783	1.7
211.13443	1.2
213.14926	0.9
221.06604	2.5
227.12894	7.7
231.88948	0.7
235.08229	0.9
243.46352	0.7
397.13376	2.4
514.82819	0.7
607.24945	0.9
625.27075	2.0
791.40619	4.8
817.38397	3.0
835.39600	100.0
836.39886	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	836.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
62.98528	0.1
70.03613	0.3
80.75471	0.1
161.50754	0.1
278.22189	0.1
501.78104	0.1
664.32349	0.1
763.42206	0.1
853.97955	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.2
61.98824	1.5
69.03465	1.3
70.78313	0.8
71.01372	4.3
73.02943	1.0
80.02677	0.4
80.34594	0.3
80.91677	0.4
83.01392	0.4
83.05009	0.6
85.02955	1.2
87.00883	0.8
89.02441	3.7
94.92518	0.8
95.01386	0.5
96.96000	2.3
97.02944	1.5
97.06577	0.6
101.02431	4.4
109.06616	0.5
111.08151	10.2
113.02453	2.5
119.03510	0.7
121.10200	0.5
123.08134	0.4
125.09724	0.6
127.07658	1.1
137.09740	0.7
142.90804	0.4
151.11263	0.7
153.09239	0.6
153.12825	1.2
161.04565	1.5
163.11255	0.4
165.12767	1.7
169.12332	4.6
171.10245	2.5
179.05635	1.1
179.10887	0.5
181.12317	1.4
183.13933	1.0
185.11880	0.4
193.12285	0.6
197.11813	53.3
198.12103	2.2
199.13412	3.2
209.11809	1.0
211.13376	8.7
212.13686	0.5
221.11778	0.4
227.12939	2.0
229.19479	0.3
235.08212	2.7
247.20547	0.9
253.09274	23.4
254.09512	0.9
261.73901	0.4
263.20142	3.5
265.18097	1.2
273.18594	1.5
277.21817	0.4
291.19623	26.6
292.19946	2.0
293.21130	0.6
309.20682	100.0
310.21069	7.6
433.21072	0.7
527.28503	0.7
545.29669	3.5
599.01978	0.3
601.40851	2.2
837.50061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	1.0
65.95702	0.2
69.79144	1.1
71.01379	9.3
72.01692	0.2
72.99322	0.5
73.02940	2.9
73.62775	0.2
75.00873	0.3
83.01379	1.3
85.02946	3.6
87.00888	0.3
89.02442	4.1
94.21896	0.2
95.01366	0.9
96.96025	0.2
97.20381	0.2
98.19913	0.2
99.00862	0.9
101.02438	6.7
113.02449	3.6
119.03506	1.3
131.03479	0.2
136.58958	0.2
143.03517	0.3
149.04494	0.3
159.03041	0.5
161.04550	2.5
167.10866	0.2
179.05656	0.2
201.38380	0.2
206.91667	0.2
211.17177	0.6
289.16550	3.6
289.19571	0.2
312.87408	0.2
331.17575	2.8
332.18051	0.2
355.21219	2.9
356.21786	0.2
373.22284	5.6
374.22852	0.5
415.23343	15.6
416.23596	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	834.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
65.00336	0.3
67.85469	0.3
75.28292	0.3
77.03957	0.4
79.01900	0.5
83.01377	0.4
93.03474	0.4
95.05027	0.4
96.96010	0.9
97.02939	0.7
101.02420	0.4
105.03444	0.5
107.01385	0.3
109.02926	2.0
119.05022	0.8
121.02954	1.1
123.04501	0.5
125.02438	1.2
133.02945	11.2
134.03735	0.5
135.04512	1.2
137.02428	0.8
138.05602	1.3
147.04477	1.0
149.02435	1.5
151.03969	0.7
161.02417	1.3
163.00349	1.7
163.03999	3.4
165.01875	2.1
173.02478	0.7
175.03998	3.2
177.01880	0.9
191.03510	1.4
193.01401	1.3
199.03993	1.2
201.01947	1.3
203.03561	0.4
211.04019	0.5
212.04753	0.6
213.05617	1.5
215.03690	0.3
217.05167	0.3
225.05621	0.9
225.07912	0.6
227.03523	0.4
227.07095	0.8
231.06676	0.4
237.05519	0.5
240.04318	0.8
241.05057	0.6
243.02861	0.4
253.05064	0.5
255.02930	0.8
255.06659	0.7
257.04532	0.6
267.06522	0.4
269.04568	0.9
270.05228	0.5
271.06155	0.5
281.04599	0.4
284.03256	7.7
285.04010	7.7
286.04431	0.6
297.04016	14.4
298.04749	8.8
299.05557	18.7
300.05957	1.4
309.04044	0.6
311.05569	2.4
324.02863	0.6
325.03494	1.0
327.05069	100.0
328.05396	10.7
339.05133	2.9
341.06635	1.3
357.06119	26.6
358.06403	2.8
365.06729	0.3
369.06146	2.6
393.06110	1.1
411.06897	0.8
447.09274	98.5
448.09631	11.9
449.09348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91724	0.3
59.01375	14.5
59.70044	0.3
61.98811	1.3
68.51407	0.3
71.01385	1.5
71.24911	0.6
71.25282	0.4
85.02927	0.5
89.02432	0.8
101.02438	1.5
107.57378	0.4
113.02428	0.5
161.04568	0.8
175.12875	0.3
235.08249	1.3
253.09296	4.8
259.20602	0.4
277.21701	100.0
278.22067	7.8
602.68512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98832	17.1
62.46471	2.0
69.05945	2.0
69.43651	5.3
69.44053	15.8
71.01379	54.2
72.99306	4.2
73.02950	40.7
75.00850	2.7
83.01368	15.9
85.02957	11.5
87.00875	7.0
88.98768	2.7
89.02431	19.9
93.03450	3.3
95.01382	3.1
96.96015	42.0
98.95559	7.1
99.00869	2.9
101.02437	43.4
109.02969	3.4
113.02444	30.6
114.02771	3.3
115.00367	3.8
116.92856	2.8
119.03504	12.0
121.02978	5.2
122.03693	3.6
123.04482	8.3
125.02440	7.6
131.03473	5.3
133.02963	4.2
137.02437	6.1
143.03467	4.5
145.02911	9.1
146.03659	4.3
147.73050	2.1
149.02449	10.4
149.04501	5.9
150.03224	21.5
151.03572	3.5
152.41364	2.5
153.01889	4.4
155.03500	2.8
160.01521	2.7
161.02455	3.8
161.04546	13.9
161.05832	2.9
162.03223	77.3
162.04581	3.6
163.03796	5.1
165.01813	3.4
165.05508	18.7
166.02647	3.1
166.05826	2.9
174.03203	2.8
175.02451	5.9
175.03981	6.3
177.05553	61.0
178.05923	4.0
179.05573	6.6
179.07080	4.7
180.04329	4.1
181.05031	2.3
190.06306	6.9
191.07103	4.9
193.05032	6.2
194.05804	3.7
195.06685	11.2
203.05437	2.6
205.08731	4.6
208.07246	2.4
209.08066	2.9
253.05052	3.3
312.46045	2.3
359.14816	15.7
371.14404	2.8
549.20911	3.3
567.22711	3.9
580.00647	2.3
747.28827	3.1
789.29236	6.1
833.30945	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	831.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	1.6
59.01377	100.0
61.33870	0.7
61.98832	9.8
69.03455	2.2
71.01381	48.1
71.13297	1.9
72.01720	1.0
72.99310	2.0
73.02944	48.0
74.03302	1.5
75.00884	2.3
83.01382	15.0
85.02950	10.5
87.00874	3.1
89.02443	17.8
95.01368	4.5
96.96036	2.9
97.02982	1.0
99.00879	1.2
101.02438	47.5
108.02151	1.1
113.02451	29.5
119.03496	8.0
121.02978	1.5
122.03800	1.2
123.04529	1.1
125.02479	2.4
131.03487	5.9
132.02200	1.0
143.03485	5.6
147.04469	1.2
149.02419	4.3
149.04512	6.6
150.03204	10.6
153.02000	0.9
155.03493	2.2
161.04559	12.5
162.03239	6.3
163.04027	2.1
164.04814	3.1
164.16545	0.8
165.01959	2.6
165.05534	6.4
174.03252	2.6
175.03972	1.3
177.05589	3.0
179.05702	1.8
179.07152	1.4
181.05037	0.8
189.05617	1.8
190.02606	1.3
195.06633	3.4
203.05696	0.9
205.05153	0.9
207.06711	1.0
219.06546	0.9
220.07458	0.8
221.06720	2.7
243.79527	0.7
268.07584	1.3
269.07932	0.9
283.09760	1.0
296.06927	1.4
301.07303	1.7
301.10724	0.9
308.06821	1.2
311.09323	1.1
312.06442	1.6
323.09293	1.7
324.09903	0.8
326.11600	1.8
327.08926	3.1
338.11636	1.1
339.08661	4.6
339.12277	1.0
342.11319	2.4
354.11182	1.2
355.12036	1.4
357.13431	7.9
358.14435	0.8
366.19574	0.7
369.13391	11.4
415.09558	0.8
503.03192	0.8
505.18961	1.5
517.19183	1.0
535.19678	19.7
536.20032	3.7
542.22968	0.8
553.20630	1.0
565.21033	2.8
583.21796	1.6
669.18719	3.1
670.19537	0.9
760.40729	0.9
831.25269	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	831.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	45.5
60.01714	0.8
60.99296	0.7
61.98827	2.1
69.03482	0.9
69.27895	2.9
69.28323	3.3
71.01374	20.9
72.99313	1.5
73.02943	28.8
75.00874	1.1
75.66409	0.7
76.09103	0.7
83.01379	10.2
85.02934	3.5
87.00862	1.2
88.98807	0.9
89.02442	5.3
93.03439	5.4
93.15533	0.6
95.01385	1.7
96.96008	3.3
97.02956	0.8
101.02434	27.7
101.03098	1.3
104.66821	0.7
108.02162	0.8
109.02977	0.8
113.02443	9.5
119.03506	4.1
121.02947	5.1
122.03736	14.6
123.04521	1.9
125.02443	2.1
130.20119	0.6
131.03523	2.6
133.02942	0.9
134.03761	0.7
135.04562	1.1
136.01653	2.5
137.02438	2.5
143.03455	3.5
149.02444	19.6
149.04451	4.6
150.03217	100.0
151.03595	3.7
153.05571	1.6
155.03465	0.9
161.04543	10.8
162.03142	1.0
164.04854	3.7
165.05559	90.4
166.02710	1.1
166.05966	4.0
170.86032	0.7
177.05637	0.9
179.05559	0.9
180.04248	6.0
181.04987	1.6
195.06612	60.0
196.06952	2.4
203.05537	1.2
203.07193	1.7
221.06621	2.8
239.71500	0.7
266.05789	1.2
271.82382	0.7
297.07358	0.8
309.07556	1.9
324.09891	3.4
338.11740	0.9
339.08548	3.2
339.12289	9.6
340.12772	1.4
342.10696	0.8
354.10880	1.1
357.13312	2.6
363.20233	0.9
369.13412	14.2
370.13638	1.4
387.14371	3.0
513.17865	1.1
517.18811	0.9
535.19537	6.3
561.19446	2.6
565.20697	1.7
573.19714	8.7
574.19788	1.0
583.21655	4.1
727.25897	1.5
739.25720	2.2
740.26599	0.8
745.26727	1.7
752.06116	0.8
787.28296	6.5
788.28448	1.9
831.33093	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	86.4
60.42400	1.5
61.98814	6.8
65.25120	1.4
69.03443	1.5
69.58473	9.9
70.62321	1.5
71.01380	41.9
73.02945	57.1
79.95773	2.3
83.01382	16.8
85.02947	5.7
89.02438	9.1
93.03446	6.5
95.01392	3.2
96.96005	28.1
97.02919	2.3
98.20585	3.0
99.00886	1.5
101.01791	2.6
101.02443	46.5
107.05045	1.6
109.02937	2.2
113.02445	17.6
113.15384	1.4
119.03502	5.6
121.02933	10.6
122.03746	16.0
123.04499	5.7
125.02448	3.9
128.93262	1.5
131.03476	4.6
133.02887	1.9
135.04547	1.7
136.01642	6.8
137.02399	6.0
143.03481	4.6
147.04570	2.1
149.02440	29.1
149.04500	5.3
150.03220	100.0
151.00327	3.5
151.03886	6.4
153.05565	4.9
161.04553	17.2
162.03259	8.9
164.04758	6.0
165.01913	33.6
165.05565	87.9
166.02599	3.8
166.05853	3.0
175.00334	1.8
175.03903	1.9
177.05528	4.9
180.04196	5.4
181.05016	5.2
190.02655	4.7
190.06427	1.9
191.06989	2.0
195.06627	51.1
203.05566	2.3
205.04994	4.5
221.06616	3.1
235.05965	1.9
253.04846	1.9
294.78497	1.8
301.07120	38.4
302.07538	2.7
309.07425	2.1
311.09161	2.2
323.09320	2.9
324.09869	4.9
329.10242	1.7
339.08902	10.3
339.11844	8.5
342.10892	3.6
354.11130	4.8
357.13306	5.1
358.13965	1.7
367.10272	7.5
369.13358	24.4
370.13797	2.2
387.14362	10.0
463.12454	28.0
464.12183	1.6
505.18600	1.9
517.18274	8.9
535.19739	23.8
536.20313	4.0
565.19849	2.3
573.19397	5.4
583.21759	16.6
584.22278	3.0
661.22546	2.3
669.18250	2.4
679.23608	6.1
697.24860	3.6
739.26135	12.2
740.25916	2.6
787.28467	11.2
788.28809	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	829.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.2
59.01377	100.0
60.01717	0.9
69.03467	0.3
69.63281	0.4
69.63695	0.4
71.01378	8.1
72.01738	0.1
72.99304	0.3
73.02943	3.5
75.00471	0.1
75.00890	0.2
81.51988	0.1
83.01379	1.4
85.02946	3.4
86.03293	0.2
87.00887	0.4
89.02438	2.4
95.01405	0.6
97.02978	0.2
99.00881	0.9
101.02435	6.0
102.02810	0.2
113.02438	3.8
116.84430	0.1
118.41856	0.1
119.03486	0.9
125.02473	0.1
129.01903	0.2
131.03534	0.2
143.03523	0.6
146.73584	0.1
147.87193	0.1
149.02458	0.3
149.04579	0.3
159.03009	0.5
161.04538	3.0
167.98776	0.1
173.09767	0.2
175.00371	0.2
179.05629	0.3
189.12863	1.3
190.02731	0.8
205.05061	0.8
207.14014	0.2
221.06728	0.2
223.06186	0.4
251.09380	0.2
269.10278	4.8
270.10620	0.4
311.11359	4.2
311.14841	0.3
312.11829	0.4
369.19193	1.0
373.55539	0.1
387.20233	2.4
388.20749	0.2
417.15689	0.1
418.16180	0.3
429.21259	5.1
430.21829	0.5
464.60782	0.1
473.16660	2.0
474.17218	0.2
570.25940	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
61.04540	0.4
71.01368	1.3
71.56123	0.7
72.00897	0.5
83.01371	0.5
88.04039	2.3
96.96011	0.6
101.02464	0.5
109.02923	1.2
115.00323	0.7
117.03443	0.4
119.05015	0.8
123.04536	0.4
132.03011	2.3
133.02950	5.1
134.03752	1.0
135.04518	0.9
140.07185	1.1
146.67027	0.4
147.04494	0.6
151.03998	0.5
163.03935	0.8
164.07140	1.5
165.04036	0.4
175.03979	1.4
177.01888	1.1
177.05537	0.5
179.03554	0.7
191.03378	0.5
193.05003	0.6
203.03551	0.9
205.01401	0.6
206.08237	2.1
225.05490	0.5
227.03322	0.4
241.04967	0.4
245.04581	0.5
250.07188	1.8
269.04321	0.4
283.06067	0.9
284.06647	0.4
285.03964	0.7
297.04001	1.5
298.04852	4.7
299.05402	1.8
309.04099	0.7
310.04761	0.8
311.05569	3.7
312.06308	5.0
313.07114	4.8
314.07596	0.5
323.05563	1.6
325.07156	1.0
327.05069	3.0
339.05020	6.2
340.05618	0.8
341.06546	3.1
344.05170	0.6
351.05017	1.0
353.06622	1.9
357.06088	1.3
369.06107	29.3
370.06433	2.7
371.07568	0.7
381.06216	3.3
383.07825	0.4
395.07590	0.5
399.07193	22.7
400.07343	1.8
411.07135	2.7
413.08792	0.5
423.06903	0.9
429.08179	5.7
430.08762	0.5
441.08154	2.9
442.08664	0.5
453.08228	0.7
459.09317	6.0
471.09027	1.4
489.10318	6.6
490.10617	0.7
519.11243	0.9
550.30621	0.4
561.12384	1.1
579.13501	100.0
580.13806	13.1
589.95044	0.4
642.28278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
63.79551	0.4
66.76815	0.4
68.81068	0.4
71.01377	14.9
71.55103	0.5
72.99303	2.4
84.04261	0.4
87.00880	0.6
88.04038	1.1
89.02436	1.2
93.03441	0.7
96.95996	0.9
101.02460	0.5
102.05627	3.1
115.00367	31.1
117.03445	1.4
119.05023	36.4
120.05382	1.4
121.02944	0.5
128.03517	2.9
132.02995	0.6
133.01425	100.0
134.01772	1.8
135.04536	1.5
146.04608	5.9
147.04491	0.5
162.05602	20.6
162.06961	1.0
163.03999	56.9
164.04369	1.9
167.91353	0.5
170.22357	0.5
175.03903	0.6
176.26077	0.4
181.04909	0.6
191.03574	0.6
197.21254	0.4
206.08218	1.5
264.08737	3.8
279.05051	9.0
280.05353	0.8
280.08398	0.9
282.05341	0.6
283.06335	0.8
295.06088	1.4
296.06668	0.6
297.07687	4.8
300.12366	12.7
301.12823	0.5
301.42520	0.5
309.07471	0.9
311.05667	0.5
323.05649	1.0
325.07150	2.2
328.05878	0.4
337.07141	0.6
350.49170	0.4
353.06622	11.7
354.06903	0.9
355.08331	0.6
365.06708	1.0
383.07703	9.7
384.08066	0.8
395.07373	1.0
413.08746	0.8
418.16043	0.6
425.08978	1.0
430.64352	0.5
443.09744	1.9
473.10791	2.0
504.18649	7.9
505.19061	0.9
519.35565	0.5
561.46228	0.5
563.14020	44.7
564.14331	6.5
613.67255	0.5
727.06128	0.5
728.76929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.2
59.01377	10.1
62.99127	0.1
63.02393	1.4
65.00024	0.1
65.00336	0.6
67.01885	0.5
68.99837	0.3
69.55010	0.3
69.55425	0.6
71.01379	6.6
71.01778	0.3
71.45188	0.1
72.99296	1.1
73.02947	2.4
75.00867	2.5
80.93090	0.1
83.01379	1.0
84.02169	0.2
85.02948	12.9
86.03311	0.2
87.00873	1.8
89.02427	1.2
93.03458	0.3
95.01384	4.1
99.00877	4.6
101.02445	1.8
102.99705	0.3
103.00365	2.3
105.03471	0.2
107.01393	1.6
111.00869	0.4
113.02444	26.2
114.02753	0.5
115.00361	0.8
117.01967	1.3
117.03453	3.7
119.03477	0.2
121.02976	0.3
129.01967	0.9
135.04509	0.3
139.00340	0.3
149.02451	1.5
149.04553	0.2
151.00340	1.5
154.47092	0.1
155.05182	0.2
157.01399	0.5
159.03334	0.3
159.04532	1.6
161.02449	0.7
161.04529	0.5
169.06590	0.4
173.06061	0.2
175.02469	14.2
176.02802	0.5
181.06606	0.6
182.03737	0.2
183.04460	0.8
195.04550	0.1
196.05225	0.3
196.83412	0.2
197.06027	0.5
199.04013	0.3
201.05542	0.6
203.03499	0.2
203.05508	0.2
206.05046	0.2
221.06570	0.1
224.04732	0.3
225.05534	1.4
227.03447	0.6
253.05212	0.2
268.03714	0.2
269.04529	100.0
270.04877	7.4
311.05490	0.3
333.25082	0.1
431.28918	0.1
445.07727	27.8
446.08032	3.1
498.44794	0.1
647.64868	0.2
777.18286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.6
59.01377	100.0
60.01711	0.9
69.03464	0.5
69.29994	1.6
71.01379	11.7
72.99313	0.8
73.02944	13.5
74.03284	0.3
81.03483	0.2
83.01383	4.0
85.02951	2.4
87.00919	0.4
89.02443	4.5
95.01392	0.8
99.00908	0.5
101.02439	12.9
113.02445	5.8
119.03501	2.6
119.52961	0.2
125.02505	0.5
130.61278	0.2
131.03508	1.6
143.03487	1.5
149.04549	3.1
155.03546	0.4
161.04541	5.3
162.04852	0.2
163.58769	0.2
179.05635	0.6
193.87994	0.2
202.61821	0.2
203.05667	0.9
221.06580	1.5
232.58154	0.2
269.04446	0.3
371.20712	1.8
371.24228	0.2
373.71225	0.2
413.21774	5.4
413.27023	0.3
414.22192	0.5
601.68506	0.2
714.21051	0.2
744.14935	0.2
754.22693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.90000	1.3
61.98818	10.1
71.01381	38.3
72.99280	2.1
73.02948	10.3
83.01384	4.3
85.02944	15.0
87.00863	2.9
89.02440	18.8
95.01364	4.5
96.96027	8.4
97.02950	2.4
98.50146	1.4
99.00892	1.5
101.02438	21.1
113.02447	31.3
119.03471	4.6
119.17930	1.5
125.02403	5.9
137.02437	2.1
143.03537	1.8
161.04562	10.0
175.74757	1.4
179.05634	2.1
195.06546	1.5
233.27980	1.3
253.09250	1.3
375.23819	2.0
471.33105	5.0
472.33466	1.6
491.91034	1.6
597.36401	2.1
615.37506	14.8
616.37146	2.1
633.38483	40.0
634.38715	5.7
651.39557	16.0
652.39484	1.7
675.39386	12.5
676.39960	3.2
693.40692	21.0
694.41199	4.5
735.40967	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	825.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	64.1
79.63159	24.9
85.35017	27.6
96.95448	22.5
104.39391	26.6
114.47572	25.9
116.46629	25.1
123.62723	28.3
135.08347	29.5
144.12416	32.2
159.53131	26.7
229.46283	31.4
277.21692	100.0
292.04901	30.2
293.21127	82.3
363.21039	28.0
825.48633	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.0
59.01377	100.0
60.01706	0.7
61.98804	0.5
69.03458	1.3
71.01379	38.0
71.34763	0.4
71.56510	0.7
72.01740	0.4
72.99297	1.3
73.02943	52.4
74.03281	0.7
75.00877	0.7
79.62283	0.4
83.01385	16.4
83.05005	1.1
85.02943	4.6
87.00860	1.4
89.02436	9.4
89.90827	0.4
95.01390	1.3
96.96006	1.9
97.02932	1.0
99.00857	1.1
99.04528	0.5
101.02439	45.6
102.02763	0.8
113.02444	15.9
114.65379	0.4
118.74970	0.4
119.03501	5.5
125.02409	1.4
131.03490	4.6
134.03711	0.8
143.02580	0.4
143.03490	5.1
147.02931	0.5
149.04552	12.3
149.05769	0.5
150.04828	0.6
155.03406	1.2
161.04547	21.4
162.04828	0.4
191.07181	0.5
193.04919	1.2
203.05582	2.2
221.04584	0.6
221.06633	10.4
222.06845	0.4
235.05986	1.5
269.10306	2.0
311.11288	1.0
327.04901	0.5
417.14981	0.7
418.75269	0.5
438.57779	0.5
447.08777	0.6
528.11945	0.5
540.96716	0.4
706.71503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
58.91400	0.6
59.01381	6.5
61.98830	7.6
69.03439	1.5
71.01366	5.4
71.05038	0.7
71.58561	0.7
73.02937	0.7
83.01398	0.6
83.05001	1.4
85.02942	1.4
87.00867	1.2
89.02455	4.1
96.96010	1.7
97.02950	4.8
97.06569	0.8
97.67076	0.6
101.02453	4.9
109.06560	0.7
111.00842	1.0
111.08158	3.3
113.02448	2.8
115.00360	0.7
115.89731	0.6
116.70393	0.6
119.03503	1.2
119.08649	0.8
120.53229	0.7
121.10170	0.9
125.06013	0.6
125.09665	1.3
137.09723	1.7
140.85905	0.6
161.04530	2.4
165.12917	0.9
167.10745	0.9
169.12357	0.8
171.10249	10.3
177.12863	0.7
179.05585	1.1
179.14400	1.6
181.12302	1.4
183.13864	0.8
189.54816	0.6
195.13887	10.2
196.14342	1.2
197.11801	12.6
199.13396	1.0
205.12227	0.8
205.68576	0.6
211.13383	3.6
221.15431	1.8
223.13351	5.9
225.14653	0.7
227.12862	0.8
228.13631	1.3
235.08186	2.0
239.16560	0.9
247.20659	2.3
253.09262	31.7
254.09645	1.1
256.13245	1.0
263.20071	0.8
273.18539	1.5
275.20111	11.1
277.21689	2.9
291.19629	23.7
292.20038	2.3
293.21204	100.0
294.21475	7.8
309.20679	73.9
310.21051	6.2
500.95050	0.6
529.30194	1.2
545.29651	2.7
546.29730	0.8
585.41925	3.0
736.43304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.7
61.98826	100.0
69.64320	14.3
71.01379	6.0
75.00877	2.8
77.00566	2.4
89.02457	3.3
94.15329	2.4
96.95999	10.3
101.02430	2.3
113.02439	2.8
155.74603	2.3
227.98447	2.4
256.29285	2.8
364.03433	3.0
403.34512	2.6
405.26416	5.1
414.45917	3.0
743.55145	2.6
785.39575	39.2
786.39612	8.6
821.36902	39.2
821.49530	3.1
822.37653	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	821.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
58.00596	0.6
59.01377	6.4
61.98832	8.3
69.03464	1.0
69.24989	4.2
71.01379	6.3
73.02963	1.1
80.91698	0.9
83.01367	0.5
83.05029	0.8
85.02966	1.4
87.00864	1.0
89.02442	4.1
95.05025	0.4
96.96003	1.2
97.02949	3.4
97.06577	0.6
101.01070	0.4
101.02436	5.3
101.46502	0.4
109.06644	0.4
111.08153	5.7
113.02479	2.5
118.46915	0.5
119.03500	1.3
121.10247	2.6
125.06087	0.5
125.09727	1.0
137.09753	1.1
143.03384	0.5
145.04971	0.5
148.09010	0.4
153.12915	0.4
161.04561	2.9
163.11327	0.5
165.12866	2.0
167.10777	0.6
169.12372	2.2
171.08803	0.7
171.10257	14.2
172.10651	0.4
177.12852	0.5
179.05614	0.9
179.10706	0.5
179.14401	0.9
180.93654	0.4
181.12288	1.2
183.13835	0.6
185.11769	0.5
193.12465	0.6
193.15988	0.5
195.13901	7.6
196.14371	0.7
197.11813	28.5
198.12102	1.4
199.13293	2.2
205.12280	1.0
209.11829	1.2
209.15616	0.5
211.13376	6.2
217.15778	0.5
221.11639	0.4
223.13330	5.3
224.13754	0.4
227.12910	2.1
228.13524	0.5
231.21121	0.9
235.08212	3.3
247.20703	2.3
249.14838	0.5
253.09261	31.0
254.09572	0.9
256.13202	1.1
263.20139	1.3
265.18039	1.1
265.21783	0.8
273.18613	0.8
275.20142	17.9
276.20407	1.6
277.21674	1.0
291.19638	29.7
292.20016	2.4
293.21207	100.0
294.21530	8.9
309.20685	73.4
310.21002	6.8
391.59290	0.5
407.19196	0.7
433.20456	0.6
527.28363	0.9
529.30402	1.6
545.29443	2.7
546.29779	0.6
585.41284	3.2
586.41516	0.5
633.10944	0.5
821.50128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.3
59.01376	3.7
61.98831	1.8
63.96231	3.1
64.97010	0.4
67.30097	0.3
69.03461	0.6
70.76904	0.4
70.77250	0.6
71.01382	9.7
72.18186	0.3
72.99311	0.7
73.02939	2.5
78.95909	0.6
78.98589	8.8
79.95732	17.0
80.96514	100.0
81.03460	0.9
81.28078	0.3
81.96464	0.5
83.01376	0.6
85.02947	3.4
87.00877	3.6
94.98083	24.1
95.01364	0.6
96.96009	1.8
97.02948	2.0
99.00857	0.8
101.02440	3.2
106.98097	3.9
113.02438	0.6
116.97226	0.4
122.97583	5.2
125.02454	3.5
127.03986	1.1
134.97581	6.5
136.99100	2.4
141.01691	2.3
143.02242	0.3
143.99126	0.7
146.97556	0.3
148.98007	0.5
148.99136	7.6
149.99374	0.3
150.97113	0.3
152.98619	8.3
161.04549	0.4
164.98619	15.2
167.00171	0.7
176.98422	0.3
179.00177	0.3
188.98676	0.5
206.99663	3.3
225.00729	22.8
226.01036	0.7
255.23289	2.3
277.21710	1.2
283.04868	0.6
286.73523	0.3
288.20789	0.3
305.02328	0.5
307.99622	0.5
325.07626	0.3
387.02527	0.5
394.53989	0.3
408.73880	0.3
470.90976	0.3
537.27289	1.4
551.84442	0.3
559.25787	2.6
560.25604	0.4
572.25470	0.3
701.11536	0.3
798.24469	0.3
815.49811	94.3
816.50104	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01728	1.0
61.98831	8.0
70.20531	1.2
70.20934	1.0
71.01385	2.8
73.02965	0.6
80.96515	1.9
85.02974	0.9
87.00861	0.6
89.01773	0.4
89.02452	1.5
96.96042	0.8
96.99327	0.6
97.02941	1.1
98.20591	0.7
101.02460	2.1
113.02467	1.0
125.02466	0.7
141.01700	48.9
142.02094	1.0
145.18405	0.5
153.01804	0.5
188.22569	0.5
197.11890	1.0
235.08150	0.7
235.44066	0.5
277.21732	5.9
278.22003	0.8
359.22134	4.9
360.22305	1.0
397.13446	9.7
398.13620	0.6
415.14581	2.4
419.11499	2.1
437.12845	3.3
649.07507	0.6
675.36810	1.0
684.03040	0.7
697.33832	2.9
816.49127	0.8
817.50000	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	815.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96222	2.4
70.28506	3.4
71.01379	10.9
73.02939	1.2
76.39648	1.1
78.40137	1.0
78.98580	7.9
79.95728	15.5
80.69741	1.1
80.96509	100.0
82.70869	1.1
85.02955	3.0
87.00858	3.9
88.20850	1.1
88.56054	1.0
94.98085	21.3
96.95979	2.1
97.02906	1.5
99.00867	1.3
101.02419	1.8
106.98061	4.9
122.97573	4.5
125.02411	4.0
127.03993	1.4
134.97554	6.5
148.99126	7.0
152.98633	7.1
164.98598	16.9
167.00281	1.0
170.47208	1.2
172.25049	1.3
206.99597	2.1
224.98660	1.8
225.00722	21.7
258.17358	1.2
559.25775	1.9
815.49744	87.1
816.49811	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	815.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.2
61.98829	3.6
64.28809	0.8
71.01387	3.0
71.57320	0.8
73.02943	1.4
77.99871	0.9
78.20361	0.7
78.98589	1.1
79.95725	1.4
80.96514	9.0
85.02956	0.8
89.02465	2.1
92.83411	0.8
94.98081	2.3
96.96024	0.9
101.02439	2.3
102.55752	0.8
113.02462	1.6
116.92845	1.0
118.35478	1.0
119.03458	1.0
137.24557	0.8
147.08920	0.8
148.99091	1.0
161.04588	1.8
164.98672	0.9
171.10245	1.3
174.32442	0.8
183.13895	6.0
191.96486	0.9
193.12361	1.1
195.13887	5.3
211.13391	100.0
212.13736	6.8
223.13365	4.2
225.00848	1.2
235.08186	4.4
253.09256	13.2
256.13239	1.2
275.20132	5.9
293.21219	65.0
294.21576	6.7
447.22290	13.0
448.22964	1.0
529.30096	2.8
615.34534	0.8
723.43597	2.2
764.79523	0.8
815.49725	11.5
816.49866	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	815.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.2
59.89690	0.9
61.98836	1.0
62.19400	0.9
62.48686	0.9
71.01372	3.5
71.54834	2.2
73.02962	0.8
78.98593	1.6
79.95718	1.8
79.96697	0.8
80.02731	0.9
80.96519	15.3
81.03476	1.0
83.05029	4.6
87.00881	1.4
89.02448	1.8
94.98096	3.4
95.01377	1.1
101.02451	2.1
113.02444	1.3
125.06016	1.0
131.91125	0.9
148.99159	1.3
152.98613	1.5
158.68976	1.0
161.04640	1.1
163.11296	2.4
164.98601	2.5
165.12813	1.9
209.11818	100.0
210.12103	4.5
225.00662	1.9
227.12871	12.8
235.08188	4.0
241.14449	1.7
251.45880	0.9
253.09230	5.6
277.21716	72.7
278.22092	6.8
393.95654	1.0
445.20770	2.9
573.59772	1.1
602.37488	1.1
815.49921	18.5
816.49823	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	805.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01104	0.2
59.01376	2.6
59.01657	0.3
61.98816	0.2
69.03434	0.2
70.85057	0.2
71.01377	2.6
73.02927	0.4
80.91669	0.7
83.01388	0.4
83.05044	0.2
85.02924	0.4
87.00862	0.7
89.02435	2.2
95.05048	0.2
97.02948	0.2
97.06609	0.3
101.02435	2.5
111.08145	0.4
113.02428	1.2
113.09694	0.2
119.03511	0.5
119.38316	0.2
121.10205	0.4
127.07559	0.2
143.03487	0.5
146.22728	0.2
149.04572	0.2
161.04478	1.0
165.12779	0.3
167.10884	0.4
171.10252	1.4
177.12839	0.2
179.05614	0.6
179.10881	0.2
179.14403	0.6
181.12273	0.4
183.13905	1.0
195.13879	8.2
196.14445	0.7
203.10561	0.4
205.12410	0.9
205.15985	0.3
211.13371	0.5
223.13332	6.1
224.13783	0.4
225.14986	0.2
227.12892	0.2
228.13499	0.9
231.21152	0.3
235.08249	0.7
237.11182	0.8
249.11046	10.6
250.11275	0.5
253.09259	16.9
254.09554	0.7
256.13120	1.3
263.12573	0.4
265.21664	0.5
267.12201	1.2
275.20142	6.5
276.20502	0.6
277.21747	0.6
291.12094	0.2
293.21198	100.0
294.21530	8.7
381.59067	0.2
445.20865	0.5
467.18979	2.1
468.19266	0.2
485.19977	1.8
486.20786	0.2
492.22330	0.5
529.30011	1.1
569.41998	1.7
570.42621	0.4
662.35132	0.2
715.75989	0.2
723.43225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	49.0
68.78391	24.1
71.12892	36.6
80.02832	25.8
83.78511	22.4
85.02963	19.7
90.59684	23.7
96.95988	29.9
102.25135	25.4
108.71635	23.6
115.59026	26.7
130.84474	24.1
149.12134	21.1
180.38171	23.2
204.87550	28.8
210.98897	23.3
211.13274	68.7
304.27637	24.4
309.20648	38.7
320.18091	26.0
651.99323	28.1
807.42975	100.0
808.43927	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	809.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81196	40.8
70.97032	100.0
75.38719	44.6
118.77672	41.3
135.93130	44.6
277.21866	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	2.5
59.01378	31.4
61.98819	3.7
69.03448	1.6
71.01382	22.2
72.99290	1.6
73.02947	4.5
83.01357	3.4
83.05038	2.1
85.02962	4.8
87.00869	3.7
88.98818	1.5
89.02453	16.9
96.95989	6.0
97.02905	1.6
101.02431	14.0
107.80827	1.3
111.08143	1.9
113.02459	7.7
119.03477	6.0
125.02441	4.8
135.08240	1.5
143.03461	1.8
161.04517	2.8
162.04669	1.4
171.10281	1.6
179.05608	1.8
183.13901	8.0
211.13388	88.1
212.13710	4.0
217.87868	1.4
221.06613	1.5
230.04335	1.4
230.06660	1.7
235.08257	2.8
241.18065	1.9
281.69809	1.5
305.14432	1.5
315.26810	2.2
325.25302	6.3
343.26389	5.3
359.25858	4.4
361.27472	4.2
369.24268	5.0
377.27063	1.8
379.12396	3.9
387.25156	9.2
397.13428	15.5
405.26355	18.7
405.88434	1.8
406.26349	2.4
415.14508	3.1
475.93323	1.7
503.08435	2.1
591.26678	4.7
609.27380	4.8
613.35974	1.9
625.93964	1.7
785.39740	2.5
803.40717	100.0
804.40875	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	803.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01157	0.3
59.01376	3.7
64.72347	0.3
65.00310	0.4
69.88151	1.4
79.01887	0.5
83.01382	0.4
93.03438	0.4
97.02945	0.7
101.02420	0.4
107.01388	0.5
109.02950	1.6
119.05011	1.1
121.02921	1.4
122.98943	0.4
125.02397	1.0
133.02945	10.6
135.04523	0.9
147.04497	1.3
149.02425	1.3
151.04024	0.5
161.02347	0.8
163.00362	1.4
163.03996	2.6
165.01915	1.7
173.02388	0.4
174.02985	0.3
175.03964	2.3
177.01930	1.1
185.05832	0.3
191.03462	1.6
193.01360	1.5
199.03975	1.4
201.01910	1.0
203.03433	0.7
209.06035	0.4
211.03951	0.6
212.04628	0.4
213.05505	0.9
215.03676	0.3
225.05530	0.6
227.03445	0.7
227.07233	0.5
229.05078	0.5
231.06511	0.5
240.04216	0.8
241.05023	0.9
253.05084	0.8
255.02945	0.6
255.06609	0.8
257.04495	0.5
269.04507	1.2
269.07352	0.4
281.04648	0.6
284.03235	9.1
285.04004	6.3
286.04236	0.5
297.00616	0.6
297.04004	15.0
298.04755	8.3
299.05569	17.0
300.05884	1.4
309.04004	0.6
311.05557	2.6
324.02933	0.5
325.03577	1.2
327.05057	100.0
328.05405	9.2
339.05081	3.5
340.05273	0.5
341.06665	0.6
351.04749	0.6
357.06113	27.9
358.06509	2.2
362.96155	0.3
369.06149	3.0
393.06003	0.8
411.07251	0.4
447.09265	98.9
448.09628	11.7
722.52710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
60.69820	0.2
61.98829	100.0
62.98534	0.2
67.38207	0.1
70.68994	0.4
79.32864	0.1
109.87129	0.1
115.63333	0.1
171.10251	0.3
211.13435	0.7
212.13759	0.6
213.13954	0.3
272.85376	0.1
277.21640	1.1
278.22195	0.4
289.18320	0.2
473.85724	0.2
573.22803	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	803.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
66.45157	0.3
69.90353	0.8
77.03952	0.6
83.01388	0.4
97.02324	0.3
97.02950	0.6
105.03439	0.5
107.01393	0.6
109.02929	1.8
111.07571	0.3
119.04952	0.7
121.02935	1.5
125.02426	1.5
130.75688	0.4
133.02943	11.0
134.03310	0.7
135.00832	0.4
135.04492	1.5
137.02431	0.6
145.02815	0.4
147.04506	1.0
149.02380	1.5
151.03964	0.8
151.19942	0.3
161.02402	1.0
163.00319	1.7
163.04022	2.4
164.01196	0.4
165.01869	1.4
173.02422	0.7
175.03952	3.2
177.01974	1.0
187.03888	0.4
191.03540	2.2
193.01395	1.5
199.04019	1.3
201.01875	0.5
203.03441	0.6
211.04018	0.8
211.07581	0.5
212.04756	0.7
213.05563	1.1
225.05498	0.7
227.03468	0.5
240.04317	0.8
241.05000	1.1
242.01991	0.4
242.28609	0.3
253.05022	1.0
255.03108	0.5
255.06686	0.6
257.04510	0.5
269.04507	1.1
271.06250	0.5
281.04288	0.5
284.03198	7.9
285.03986	7.3
286.04312	0.5
297.04013	15.3
298.04733	8.7
299.05582	15.3
300.05933	1.5
304.23605	0.4
309.03979	0.6
311.05457	2.6
324.02774	0.5
324.59772	0.3
325.03525	1.2
327.05063	100.0
328.05386	8.2
339.05130	3.7
340.05432	0.5
341.06561	0.8
357.06122	25.5
358.06329	2.1
369.06073	2.5
393.06177	1.1
447.09277	93.1
448.09653	11.3
722.65564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27076	1.1
59.01361	8.2
61.98826	48.1
65.43561	1.3
69.08665	1.3
71.01379	4.5
71.56077	1.6
78.95901	1.6
82.72178	1.5
83.05028	3.4
85.02981	1.6
89.02448	2.3
94.47878	1.4
101.02439	2.9
110.09275	1.4
113.02448	3.0
127.11280	2.3
160.62968	1.3
161.04533	2.0
163.11302	2.6
165.12738	1.5
171.10258	2.1
172.93623	1.5
187.08594	1.8
201.11310	41.7
202.11659	2.5
209.11806	99.8
210.12146	4.6
227.12854	12.0
235.08186	5.8
253.09203	13.4
277.03909	1.3
277.21704	100.0
278.22076	8.3
289.18021	4.6
293.21268	1.8
419.19388	1.8
437.20453	2.8
443.08701	1.5
445.20819	5.0
445.35342	1.7
513.30511	3.3
721.06183	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.9
58.00570	2.7
59.01380	82.5
61.98819	6.1
64.73685	1.5
64.92112	1.4
65.03967	2.4
68.14342	1.6
69.03436	4.5
69.37967	13.6
71.01381	55.0
71.75710	1.9
72.99303	4.7
73.02946	8.5
75.00884	2.0
81.03443	3.7
83.01376	5.6
83.05015	8.1
83.46502	1.7
85.02940	14.0
85.06568	3.4
89.02439	34.8
91.05528	2.7
95.01395	3.4
96.96009	7.7
97.02944	5.1
97.06570	4.0
98.20605	2.6
99.00897	2.7
101.02442	29.2
109.06557	1.8
111.04480	2.0
111.08151	6.6
113.02458	20.2
119.03474	6.7
119.05047	3.0
121.02930	2.4
123.08164	2.3
125.02444	10.0
125.09728	14.4
131.03529	1.6
135.08136	2.0
137.02422	2.9
139.03969	2.0
141.01868	2.1
143.03526	2.8
161.04526	6.2
171.10266	42.3
171.91740	2.0
175.36722	1.9
179.05586	10.5
187.09770	1.6
205.15945	4.3
209.11874	9.7
209.41972	1.6
211.13333	15.6
215.14383	10.7
215.83704	1.9
221.06607	8.1
221.15396	3.4
231.13869	4.5
233.15448	46.9
234.15689	2.3
235.08223	3.0
249.14926	23.8
250.15112	2.6
323.23380	1.7
331.26343	3.9
341.24869	5.4
359.25641	3.5
367.22842	3.5
375.25345	4.8
379.12384	3.0
385.23877	19.8
386.23892	2.0
393.26501	3.1
397.13455	23.7
398.13943	2.3
403.24896	34.2
404.25073	5.8
415.14355	4.5
421.25946	17.3
629.28015	2.2
647.29169	2.2
670.51117	1.9
737.06354	1.9
773.39783	2.9
783.38013	100.0
784.38312	24.3
801.39136	82.0
802.39362	24.6
834.72205	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	801.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
58.00606	1.1
59.01376	100.0
60.01698	0.9
61.98820	3.2
62.68933	1.0
68.90829	0.7
69.03447	1.4
71.01376	28.3
72.99316	1.8
73.02958	7.3
75.00861	0.9
83.01392	3.3
84.14713	0.8
85.02953	12.5
87.00870	2.6
89.02433	12.3
95.01378	3.5
96.96017	4.4
97.02938	2.2
99.00890	2.8
101.02437	16.4
113.01630	1.1
113.02435	20.7
119.03513	4.4
123.37596	0.8
124.01645	3.5
125.02454	5.9
137.02444	1.5
143.03493	4.8
154.88734	0.9
161.04561	4.7
179.05597	2.9
184.59190	0.8
193.08655	1.6
203.02869	0.8
211.13440	1.4
230.05809	1.2
233.15491	1.6
320.09576	1.0
331.14551	0.8
467.30008	1.0
504.60287	1.0
575.32324	1.4
593.33307	8.0
594.33276	1.4
611.34259	42.0
612.34650	6.6
629.35413	16.4
630.35736	3.3
630.87329	1.1
653.35486	6.3
671.36206	11.5
672.36688	2.1
783.38025	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	799.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.1
60.56924	0.3
67.03591	0.2
67.15536	0.3
70.94228	0.7
71.01382	3.1
73.02940	0.6
73.44189	0.2
85.02943	0.6
87.00865	0.5
89.02456	1.8
99.00923	0.3
101.02451	2.0
113.02441	0.9
115.39264	0.2
119.03467	0.3
126.85786	0.2
127.80731	0.3
144.14182	0.3
145.04974	0.3
152.81143	0.3
161.04536	1.3
167.14374	0.5
178.61412	0.3
179.05560	0.4
183.13887	5.6
193.12285	1.5
211.13377	100.0
212.13725	5.2
225.00697	0.4
235.08192	3.3
253.06638	0.5
253.09265	7.7
254.09492	0.4
255.23372	0.3
277.21692	84.7
278.22052	7.2
429.21194	2.5
447.22302	8.2
448.22546	0.9
513.30756	2.3
514.30597	0.5
707.43909	1.1
709.37933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
58.00605	0.4
59.01377	100.0
60.01711	1.3
65.89969	0.2
69.03473	0.5
69.04143	0.2
69.73570	0.8
69.73999	0.8
71.01378	17.7
72.99313	0.7
73.02944	16.8
74.03276	0.3
75.00889	0.5
83.01382	5.8
85.02949	3.8
87.00883	0.5
89.02438	5.7
95.01408	0.6
95.14682	0.2
96.95994	0.4
97.02939	0.4
98.20671	0.2
99.00890	1.0
101.02439	18.1
102.02803	0.3
110.05628	0.2
113.02445	7.3
114.20184	0.2
116.05025	0.2
119.03500	2.4
125.02440	0.7
128.52832	0.3
131.03496	1.3
143.03519	2.1
149.04550	2.9
150.04910	0.3
155.03540	0.5
161.04546	6.4
162.02336	0.4
167.03603	0.3
179.05609	0.8
203.05675	0.9
221.06740	1.6
240.04433	0.3
268.30991	0.3
269.04645	0.3
284.03290	0.4
299.05460	1.2
300.67026	0.2
313.16742	1.3
327.05124	0.5
331.17615	2.8
343.12424	0.3
373.18655	8.6
373.23135	0.5
374.19131	0.8
417.08499	0.9
479.38718	0.3
650.56531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.6
58.00557	1.0
59.01377	100.0
60.01688	1.3
61.98826	5.2
69.03446	2.0
69.26781	9.7
71.01379	28.6
72.99315	2.4
73.02934	9.4
81.03448	1.7
83.01388	7.1
83.63326	0.9
85.02943	18.6
86.00108	3.3
87.00864	4.7
88.98799	2.0
89.02430	6.3
95.01382	4.3
96.96003	11.0
97.02936	4.8
98.19833	2.0
98.21960	1.0
99.00877	4.2
101.02436	18.4
111.00877	4.0
112.01667	2.1
113.02441	18.6
115.03964	1.4
119.03503	2.7
124.01680	6.8
125.02444	16.3
127.00387	1.1
137.02469	1.7
139.23354	1.2
143.03453	6.4
159.02936	1.7
161.04527	3.8
163.78372	1.0
164.04819	1.3
193.39015	1.2
271.77884	1.1
301.27463	3.3
397.28964	1.1
445.31830	5.6
463.32718	6.5
553.33856	2.8
571.34595	2.8
589.35870	29.6
590.36292	5.2
607.37006	59.8
608.37445	10.8
625.37878	19.9
626.38635	3.1
649.37976	23.5
650.38300	4.4
667.39014	39.6
668.39740	6.4
709.40228	7.3
737.38763	1.7
769.88000	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	795.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.4
58.00595	1.3
59.01377	100.0
61.98837	3.1
69.03469	2.6
69.85001	3.0
71.01381	38.9
72.99310	2.6
73.02943	10.4
75.00896	0.9
81.03463	2.1
83.01376	9.1
85.02947	20.4
86.00054	0.7
87.00872	5.0
89.02439	12.4
91.02479	0.6
91.24731	0.6
95.01374	4.6
96.35065	0.6
96.96016	4.0
97.02950	6.0
98.19974	1.1
98.35455	0.6
99.00877	4.0
101.02439	24.3
102.02846	1.0
111.00912	2.7
111.08179	1.1
112.01700	1.3
113.02446	24.0
115.03997	1.0
119.03494	3.5
124.01651	3.2
125.02447	12.8
125.03317	0.9
131.03493	0.9
132.02197	1.1
134.03760	3.0
135.08208	1.1
137.02448	1.1
142.02754	0.8
143.03496	6.3
147.04541	0.7
159.03021	1.5
160.01660	5.3
160.38358	0.6
161.04564	5.3
175.04012	4.4
179.05708	1.6
185.26952	0.8
191.07138	0.9
193.05080	2.8
213.18607	3.2
235.06027	1.2
237.07675	4.2
253.09377	0.8
269.04608	2.3
299.25897	1.4
312.95404	0.7
357.22784	0.8
375.23984	1.2
412.07269	0.7
443.30334	1.8
461.31293	1.9
469.31543	0.9
487.32816	5.6
496.31320	0.7
505.34030	3.1
547.34723	0.8
551.31787	1.0
569.33557	1.5
587.34302	10.6
588.34680	1.5
595.34241	1.0
605.35339	24.0
606.35736	3.5
613.36041	0.8
623.36597	5.3
624.37122	1.0
631.37006	25.6
632.37280	4.8
647.36603	4.1
648.37341	1.1
649.37982	39.4
650.38397	6.6
665.37482	4.9
666.37701	0.8
667.39124	11.8
668.39709	2.5
691.39056	17.1
692.39093	4.0
700.21490	0.8
709.40094	29.0
710.40479	5.5
751.31842	5.0
751.43872	4.2
752.30951	1.5
752.43335	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	795.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.8
58.00579	1.3
59.01377	100.0
60.01703	0.9
61.98832	2.9
69.03455	2.6
69.26817	0.9
69.27216	3.7
71.01380	42.8
72.01702	0.6
72.99294	3.1
73.02947	10.2
75.00864	1.1
81.03452	1.1
83.01389	8.5
85.02945	18.6
86.00104	1.5
87.00878	5.0
89.02444	12.3
92.85335	0.6
93.07124	1.1
94.38640	0.6
95.01377	5.1
96.96018	2.8
97.02936	4.9
99.00870	4.6
101.02441	22.1
102.02792	0.7
102.17690	0.5
104.42219	0.5
105.20276	0.6
111.00896	2.5
111.08167	0.9
112.01678	2.1
113.02444	25.5
115.04015	0.8
119.03505	3.8
124.01655	3.6
125.02448	13.7
129.01926	1.2
131.03526	0.8
132.02200	1.5
134.03734	3.7
135.08272	0.7
137.02420	1.0
141.01917	0.9
143.03502	7.7
145.49374	0.6
147.04573	0.8
159.02997	0.8
160.01677	7.4
161.02388	0.6
161.04570	5.3
174.01678	0.7
175.03981	6.3
176.04863	0.7
179.05653	1.3
191.07166	1.1
193.05113	2.4
213.18571	3.2
214.19037	0.6
215.44899	0.6
235.06223	1.7
237.07680	5.4
269.04456	2.8
299.25955	2.4
343.28644	0.6
357.22781	0.8
375.09995	0.5
375.24100	1.0
377.31320	0.6
443.30383	2.3
461.31107	3.1
469.31961	1.1
487.32706	4.3
488.33405	0.8
497.97586	0.6
505.34018	2.6
539.32007	1.4
551.32678	1.8
569.33612	2.4
587.34302	13.6
588.34998	2.5
605.35394	30.7
606.35632	5.4
613.36420	0.9
623.36383	7.9
624.37115	1.1
631.36890	22.4
632.37152	3.5
647.36322	6.3
648.36810	1.7
649.37952	33.7
650.38177	6.3
665.37457	6.9
666.37970	1.7
667.38953	8.6
668.39154	1.1
691.39105	15.4
692.39380	3.1
707.38177	0.9
709.40094	22.7
710.40417	6.0
751.31854	5.0
751.43726	5.5
752.32172	1.6
752.43292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.9
61.98835	4.3
61.99102	0.8
69.72369	0.6
71.01379	7.8
71.57990	0.9
72.99300	0.7
73.02934	3.2
75.00896	0.5
83.01402	2.1
85.02953	2.1
87.00880	1.0
87.52708	0.6
89.02449	3.9
89.03979	1.1
89.30428	0.6
93.03467	0.9
95.01444	0.6
96.82433	0.6
96.95996	5.1
99.00838	0.8
101.02457	4.0
105.03436	0.8
109.02968	0.6
113.02451	3.9
117.03442	2.9
119.03485	1.4
119.05026	1.1
125.02470	0.9
132.02165	21.1
133.03027	4.5
134.03735	46.6
135.04449	2.0
137.02457	1.8
147.04486	1.4
149.06070	4.9
150.03175	0.7
160.01649	100.0
161.02072	5.4
161.04497	1.1
162.03096	0.6
165.05510	0.9
175.03990	83.8
176.04384	4.2
177.05533	0.8
178.02704	1.4
179.03476	2.8
190.55237	0.7
191.07161	1.9
193.05035	34.8
194.05409	1.2
195.06636	0.7
207.06612	0.6
221.18806	0.6
233.08290	0.7
235.06116	3.3
265.07037	0.6
269.04205	0.7
281.06781	0.8
295.08224	1.2
383.45374	0.7
413.71210	0.6
691.29510	2.2
709.30469	5.6
710.30920	0.9
751.31744	93.4
752.32117	22.7
795.32709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	20.9
61.98818	86.0
62.02130	17.5
78.95898	29.1
87.69006	21.4
93.03460	18.8
96.96006	58.1
98.19877	59.3
130.71835	20.8
136.53546	21.4
211.13406	68.8
277.21655	41.5
293.21240	64.1
447.22180	37.5
791.43604	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	38.3
63.69369	13.4
67.79385	13.9
71.54372	15.9
91.75995	15.2
108.57331	13.7
129.54295	12.5
151.98100	14.4
209.11797	100.0
227.13153	15.9
253.09407	23.7
277.21774	90.9
279.19965	18.5
293.21307	24.8
359.80109	15.1
398.75882	15.3
481.80630	16.7
538.21771	15.4
565.52661	15.0
758.63672	16.4
791.42999	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
55.28916	0.2
56.53720	0.2
57.03445	0.2
59.01377	29.4
60.01723	0.3
61.98830	0.2
71.01381	6.0
73.02942	6.3
74.03276	0.2
75.00877	0.2
82.74272	0.1
83.01382	2.1
84.43552	0.1
85.02946	1.8
87.00893	0.2
89.02474	0.3
95.01392	0.3
96.96004	0.9
97.02950	0.3
98.20657	0.4
99.00898	0.6
101.02437	5.8
113.02440	1.3
125.02440	0.5
143.03479	0.9
155.03520	0.3
159.02940	0.2
161.04562	1.5
167.10764	100.0
168.11102	5.1
181.12308	0.4
183.42673	0.1
186.83580	0.1
191.10767	0.2
193.57419	0.2
203.05580	1.0
205.38370	0.1
209.11848	0.2
239.12886	0.2
246.40894	0.2
248.17435	0.1
249.15031	0.3
251.11165	0.2
289.16525	2.5
331.17529	1.1
371.17001	1.4
378.72134	0.2
543.28192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03443	0.4
58.00587	1.0
59.01377	100.0
60.01708	1.0
61.98827	2.3
63.18323	0.5
64.60807	0.4
67.04467	0.4
69.03503	0.6
71.01378	21.0
71.57809	0.7
72.99313	1.1
73.02943	20.1
75.00883	0.4
83.01389	5.8
83.20861	0.4
85.02957	3.7
87.00878	0.8
89.02441	18.3
90.21129	0.4
95.01391	0.9
96.96037	1.3
99.00893	0.6
99.04546	0.5
101.02441	24.2
102.02779	0.8
113.02436	10.8
114.02798	0.5
119.03506	8.5
125.02427	2.0
131.03488	3.0
136.01724	0.5
143.03490	3.7
147.02998	0.5
149.04562	4.3
150.03209	1.1
161.02530	0.6
161.04559	10.7
165.05583	1.4
177.05542	0.8
179.05615	6.0
195.06659	0.9
203.05649	1.0
221.06630	3.6
225.69066	0.4
313.16519	0.7
327.05203	0.8
331.17764	1.1
366.75436	0.5
373.18591	5.2
374.19241	0.5
505.20416	0.6
775.94867	0.5
800.15271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03442	1.8
58.00591	1.9
59.01377	100.0
60.01715	0.9
61.98843	2.6
69.03465	2.1
69.39997	2.8
69.40399	1.1
71.01380	53.4
72.01723	0.7
72.02134	0.5
72.99302	3.2
73.02945	49.2
74.03271	0.9
75.00890	1.7
79.95752	1.4
81.03458	0.9
83.01381	17.9
83.05038	0.5
85.02953	9.7
87.00877	3.3
89.02444	19.4
90.02722	0.5
91.66547	0.5
93.03465	1.7
95.01392	3.0
96.96008	30.6
97.02947	1.3
99.00903	1.7
99.04547	0.5
101.02440	60.2
102.02786	1.2
108.02184	0.7
113.02448	28.2
114.02760	0.9
117.03454	1.4
119.03500	10.8
119.05012	1.0
121.02952	5.0
122.03730	1.8
123.04541	0.7
125.02431	3.0
131.03496	5.3
133.02956	1.9
134.03746	1.8
135.04530	1.4
136.01674	0.6
137.02478	1.8
143.03473	5.7
145.02951	10.1
146.03735	5.8
146.97902	0.5
147.04510	2.1
149.02490	2.8
149.04521	8.5
149.05704	0.7
150.03232	8.0
151.03778	0.8
151.28688	0.5
153.01967	0.9
153.05585	0.9
155.03511	1.4
160.01660	0.7
161.02478	6.8
161.04555	15.1
161.06082	2.4
162.03221	78.2
163.03758	4.2
164.04767	3.4
165.01878	0.8
165.05562	7.4
166.05960	1.1
169.96489	0.5
173.02472	0.8
174.03229	1.3
175.03992	7.6
176.04729	1.9
177.05560	67.7
178.05971	3.1
179.03554	1.4
179.05608	4.4
179.07138	5.3
180.04271	4.3
181.05043	0.7
188.04703	2.2
189.05559	2.6
189.09216	0.8
190.06366	7.6
191.07149	5.0
193.05064	4.1
194.05836	5.3
195.06610	7.8
196.06883	0.8
196.54591	0.5
203.05540	1.1
203.07228	1.0
205.08693	7.1
207.06554	4.6
208.07430	3.1
209.08180	1.4
219.06612	1.9
221.06612	2.8
253.05109	1.7
262.55939	0.5
267.10809	1.1
312.09845	0.6
339.10849	3.9
344.12524	0.8
357.12323	3.0
359.14981	19.4
360.15353	1.9
371.14725	1.3
373.16440	0.5
382.92169	0.5
383.11163	0.6
389.16290	0.6
399.13089	0.8
431.17050	1.4
545.28314	0.5
549.21283	8.6
550.21478	1.4
583.57013	0.5
729.27368	2.2
747.28387	1.4
789.29169	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	786.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80358	0.2
59.01373	0.7
61.23511	0.2
61.98827	100.0
65.99368	0.2
71.01388	0.7
78.95900	0.3
78.98596	0.2
79.69614	0.2
80.96512	1.6
85.03001	0.3
89.02422	0.3
94.98086	0.4
99.92567	0.4
101.02460	0.6
116.92847	1.7
116.97263	0.2
117.92889	0.5
128.26608	0.2
134.97505	0.2
139.53209	0.2
165.12798	1.1
183.13895	10.6
184.14240	0.7
224.21114	0.2
225.00800	0.3
227.12886	0.9
240.89398	0.3
253.09320	0.3
277.21741	3.7
278.21967	0.2
384.74643	0.2
723.43152	16.7
724.43573	4.1
787.38873	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	785.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
58.00610	0.4
59.01377	47.0
60.01723	0.4
60.73286	0.2
61.98820	0.4
66.92030	0.3
69.03449	0.4
69.64598	1.8
71.01379	13.9
72.99310	0.9
73.02944	17.0
75.00888	0.3
83.01386	5.9
85.02952	1.9
89.02444	4.0
95.01363	0.5
96.96004	0.8
98.19922	0.6
101.02441	18.1
102.02796	0.3
113.02449	6.2
119.03523	2.1
121.02956	0.4
122.03755	0.3
125.02447	0.6
131.03455	2.1
137.02513	0.4
143.03476	1.6
147.04521	1.0
148.05298	95.4
149.04524	3.2
149.05650	4.3
155.03484	1.0
161.04544	6.9
163.07640	100.0
164.07959	5.2
176.52644	0.3
203.05603	1.2
208.06729	0.3
221.06726	1.3
253.04865	0.4
280.96765	0.3
367.13986	0.9
543.74237	0.3
699.51837	0.3
736.51172	0.3
741.36121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48549	0.2
59.01373	0.9
61.98827	100.0
62.82233	0.2
65.65586	0.2
70.59863	0.7
71.01384	1.0
73.02934	0.4
78.95929	0.4
78.98576	0.3
79.95737	0.3
80.96499	1.6
83.01343	0.3
85.02938	0.4
87.00895	0.3
88.98801	0.2
89.02440	0.5
89.10490	0.2
94.98108	0.5
99.92590	0.8
101.02466	0.9
110.98534	0.3
113.02431	0.5
116.92850	5.7
116.97263	0.5
117.01954	0.3
117.92860	2.0
131.61754	0.3
161.04446	0.3
164.98720	0.3
165.12840	1.9
171.10239	0.2
175.06334	0.4
183.13890	11.5
184.14304	0.6
209.11836	0.4
225.00777	0.7
227.12984	0.6
253.09441	0.6
277.21689	11.7
278.21970	1.1
293.56937	0.3
300.16132	0.3
313.09518	0.3
424.05933	0.3
463.21783	0.6
540.37231	0.3
723.43201	25.4
724.43561	7.0
768.44867	0.7
787.39148	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	784.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78730	0.1
60.24254	0.1
61.98829	100.0
62.98536	0.2
64.70987	0.1
71.57108	0.2
91.09070	0.1
96.96027	0.2
99.00864	0.2
116.92887	0.5
207.10306	0.2
209.11856	0.4
217.23016	0.1
225.11357	0.3
226.11717	0.3
229.14513	0.6
249.85324	0.2
277.21692	1.6
278.22055	0.9
279.22455	0.2
360.63739	0.2
480.34473	0.2
724.42969	0.2
785.44763	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.2
61.98827	100.0
62.98528	0.1
71.11685	0.2
101.02489	0.2
116.92881	0.2
134.63499	0.1
185.11870	0.3
208.10551	0.2
209.11836	0.3
210.12181	0.2
211.13405	0.3
225.11375	0.3
226.11572	0.2
229.14455	0.5
244.12569	0.1
277.21692	1.7
278.22180	0.4
464.20963	0.1
584.10602	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	785.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
61.98828	2.2
62.33339	0.6
71.56167	0.6
78.95855	0.6
83.70547	0.4
85.33432	0.5
85.89661	0.5
94.56596	0.5
96.96004	0.5
107.08163	0.4
108.90198	3.9
111.10550	0.5
120.02148	0.9
121.02953	100.0
122.03278	3.4
165.01855	3.4
181.06541	2.4
186.78021	0.5
191.03482	2.2
197.05920	0.5
197.11841	0.9
209.04536	73.7
210.04877	2.5
225.05617	2.4
244.81656	0.5
253.08913	0.5
283.75150	0.6
313.07108	4.6
321.90311	0.6
357.06174	2.0
400.83505	0.6
401.08716	9.4
402.08984	1.3
463.09183	0.5
499.03925	0.5
504.73849	0.6
549.09497	0.5
785.16852	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	781.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
55.35079	0.5
56.51904	0.5
57.03456	0.8
59.01379	15.5
61.98832	0.6
62.92478	0.5
71.01379	4.5
71.05020	0.9
73.02927	0.8
81.03444	0.6
83.01389	0.7
85.02940	1.1
87.00877	1.3
89.02453	1.9
95.01362	0.7
97.02946	7.5
99.00877	10.6
101.02446	2.2
109.06583	0.9
110.03701	1.5
113.02447	1.4
125.02455	0.8
125.09731	2.9
135.08122	0.7
136.05292	1.3
142.02713	1.8
155.66516	0.5
161.09747	0.6
163.11292	8.1
174.95436	0.6
179.05534	0.9
179.10722	0.7
180.86623	0.5
181.12321	17.2
182.12653	1.2
199.13351	1.0
207.10252	51.5
208.10646	3.0
225.11310	100.0
226.11661	6.0
235.08139	1.5
243.12379	11.7
244.12630	0.8
253.09282	2.5
277.21707	89.9
278.22049	8.9
299.15021	1.1
330.97940	0.5
331.88800	0.6
443.19135	4.2
461.20251	45.0
462.20621	4.4
486.28979	0.6
546.31635	0.6
674.99023	0.6
681.45374	0.6
721.41589	31.0
722.42102	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	781.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.4
59.01377	11.3
61.98816	0.4
64.16006	0.4
64.44289	0.4
71.01379	2.6
71.05031	0.7
73.02946	0.5
77.12873	0.4
83.01392	0.5
85.02937	0.7
87.00854	0.7
89.02443	1.2
95.05002	0.4
96.96021	0.7
97.02934	3.9
97.06554	0.8
99.00881	7.0
101.02422	2.7
108.65910	0.4
113.02431	1.4
119.03483	0.5
125.02436	0.8
125.09731	1.7
135.08147	1.0
136.05270	0.9
142.02713	1.2
145.10249	0.6
147.23480	0.4
161.04535	0.8
163.11263	3.8
181.12343	8.3
207.10242	25.2
208.10580	1.9
225.11308	53.3
226.11589	2.8
235.08223	2.8
243.12357	7.0
244.12750	0.6
253.09247	2.8
259.20615	0.4
267.12314	0.5
277.21698	100.0
278.22025	9.4
279.55191	0.4
443.19189	4.6
444.19736	0.9
461.20203	6.7
462.20340	0.8
513.30304	0.8
577.37439	0.7
627.44849	0.4
721.41681	22.4
722.41766	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	781.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03446	1.3
59.01379	100.0
61.98824	2.1
66.30839	1.2
68.99795	1.4
69.03458	1.7
71.01378	27.2
71.03432	1.9
71.03755	1.7
72.99316	1.6
73.02956	7.7
74.58058	1.3
76.41585	1.4
81.03450	1.8
83.01399	6.7
85.02942	16.2
86.00104	1.4
86.41896	1.0
87.00883	3.3
88.98809	1.7
89.02454	3.3
95.01376	5.0
96.19928	1.1
96.96004	4.3
97.02965	5.0
99.00881	3.7
101.02439	18.5
111.00854	4.3
112.01656	2.0
113.02431	13.0
117.64578	1.1
124.01669	5.7
125.02434	13.3
141.01807	2.4
143.03505	4.3
159.02971	1.2
160.93907	1.2
161.04543	2.7
231.13803	1.2
276.41232	1.4
429.32104	3.0
447.33221	6.5
462.53629	1.3
479.35779	1.3
537.34131	3.2
555.35260	4.1
573.36487	22.2
574.36737	3.9
591.37433	70.7
592.37781	14.0
609.38531	31.1
610.38757	4.9
633.38660	15.6
634.38977	4.1
651.39490	37.7
652.39709	8.6
693.40845	3.3
781.36511	4.5
782.36279	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51060	0.4
58.49799	0.3
59.01368	2.5
65.00284	0.4
71.01375	0.6
77.03957	0.5
95.01848	0.4
96.96009	1.1
97.02972	0.4
97.67928	0.4
98.19831	0.8
101.02390	0.4
106.91386	0.4
109.01646	0.4
109.02935	2.6
119.05009	0.7
121.02988	0.8
125.02418	1.2
133.02939	11.6
134.03671	0.6
135.04491	1.0
137.02483	0.4
147.04489	1.6
149.02440	1.4
151.04053	0.4
161.02415	1.4
163.00336	1.5
163.04016	2.3
165.01906	1.9
172.41499	0.4
175.03934	2.9
177.01907	0.9
191.03459	1.8
193.01402	1.8
199.03983	1.4
201.01881	1.2
211.03961	0.6
211.07684	0.4
212.04712	0.5
213.05591	0.7
217.05031	0.6
225.05455	0.8
227.03510	0.4
227.07104	0.5
229.01353	0.5
229.95984	0.4
240.04272	0.6
241.05049	0.7
253.05048	1.1
255.02948	0.5
255.06519	0.6
259.06009	0.4
269.04501	1.0
284.03226	8.7
285.04034	6.8
297.03998	15.3
298.04706	7.9
299.05560	18.4
300.05994	1.8
309.03983	0.7
311.05710	2.7
324.02643	0.6
325.03452	1.1
327.05054	95.6
328.05380	9.0
339.05106	4.0
340.05341	0.4
356.76355	0.4
357.06125	25.9
358.06470	2.7
369.06088	2.5
393.06232	1.1
447.09280	100.0
448.09607	11.3
448.15866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.03776	1.1
59.01378	68.2
61.98824	5.3
69.98061	0.8
71.01382	5.0
73.02943	1.7
76.40431	0.8
81.03452	9.5
83.01383	2.5
85.02953	1.7
89.02443	2.3
95.01426	1.0
96.95998	6.7
98.19873	2.3
99.00902	0.9
99.04514	54.8
100.04847	2.1
101.01798	1.5
101.02435	25.6
113.02435	2.1
119.03467	1.8
119.04987	2.5
119.12856	0.9
121.02856	0.9
123.08167	1.6
125.02450	24.5
132.02167	7.4
133.02890	3.5
134.03732	82.0
135.04070	2.5
136.01624	1.8
137.02429	3.3
139.03981	0.9
141.82301	0.9
143.03481	1.8
147.04427	1.5
149.06068	53.5
150.06377	1.9
153.05447	1.1
160.01649	46.0
161.02092	2.4
161.04477	1.9
163.11276	2.2
165.05550	1.4
175.03992	72.2
176.04362	3.3
178.02702	6.0
179.03456	1.4
183.31442	0.9
189.12785	2.6
192.04211	2.3
193.05045	31.5
194.05414	1.1
205.04993	1.4
207.13803	2.5
210.20673	0.9
223.86655	0.9
235.06094	1.4
249.07663	12.9
250.08084	1.0
253.04962	2.7
261.85489	0.8
267.08691	29.5
268.09012	2.4
278.79559	0.9
309.09769	29.2
310.10007	2.3
349.12863	3.6
440.06610	1.0
545.23871	23.9
546.24292	4.4
549.15631	1.0
563.24908	84.6
564.25299	12.3
605.26099	11.0
606.25781	1.5
619.27631	2.4
637.28711	24.9
638.28857	4.4
679.29419	6.7
719.33374	1.2
781.32782	56.3
782.33124	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	775.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.54221	0.2
83.75587	0.2
95.99271	0.2
99.54070	0.2
244.55966	0.2
273.50909	0.2
282.48718	0.2
337.83771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.4
61.98820	8.2
70.46209	8.6
73.08863	2.6
78.95892	5.9
92.92806	3.0
96.95975	2.9
113.02433	3.7
160.95921	3.0
171.10292	3.2
191.10728	3.6
197.45837	3.3
201.11322	45.5
209.11813	77.4
210.12102	3.8
215.21651	2.6
227.12904	18.0
235.08208	11.3
253.09190	14.4
277.21716	100.0
278.22009	10.5
281.13675	2.9
301.88541	3.4
336.15714	3.1
337.05627	3.5
419.19421	4.4
434.98798	3.0
437.19986	8.2
445.20905	7.8
513.30603	12.6
578.97015	3.0
697.41974	4.9
705.41119	3.5
723.43158	3.0
777.42267	36.2
778.42395	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	779.458
Annotation	Carnosifloside I
Peak:m/z	Relative Intensity
55.01868	1.8
57.03445	2.0
58.00574	1.1
59.01375	19.5
60.79052	0.3
61.98827	0.4
67.01878	0.6
68.99802	1.1
69.03440	0.5
70.59733	0.7
71.01376	24.4
72.99300	1.4
73.02945	2.9
75.00865	11.8
83.01374	3.7
85.02453	0.7
85.02947	12.4
87.00874	1.4
89.02435	8.3
95.01374	4.8
96.96011	0.7
99.00871	10.0
101.01789	0.7
101.02435	10.9
112.01637	0.4
113.01723	0.5
113.02454	9.6
115.00348	0.6
119.03497	2.4
157.01396	1.4
161.04593	0.8
178.41548	0.3
217.57335	0.4
244.54834	0.3
358.54965	0.4
370.49179	0.4
430.55869	0.4
439.35788	3.1
440.36185	0.5
509.39816	2.2
572.55237	0.5
600.39807	0.4
779.45789	100.0
780.46118	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	775.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
69.52639	0.3
69.53071	0.2
71.01388	0.4
73.02945	0.6
74.01118	0.1
77.35398	0.1
78.69482	0.1
78.95919	0.2
79.95734	3.2
79.96204	0.2
83.01381	0.2
87.00843	0.1
96.96007	100.0
97.95952	0.3
98.20622	0.2
101.02431	0.5
113.02448	0.2
124.50755	0.1
134.21988	0.1
161.04506	0.1
172.60172	0.1
197.81784	0.1
207.10332	0.1
225.11328	0.1
242.65529	0.1
269.04538	1.4
312.35898	0.1
317.16034	0.3
775.45844	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	64.9
71.11542	47.2
77.26718	29.3
78.28105	31.1
80.40263	29.5
102.13802	27.2
119.64924	33.1
135.74022	32.7
155.34137	31.8
208.62360	31.9
211.13316	96.2
277.21664	100.0
352.75949	38.1
775.43982	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	775.404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	17.9
69.16500	3.4
69.91719	11.6
69.92126	6.3
70.29633	3.6
71.01378	4.2
73.28749	3.3
78.95916	6.9
82.10460	4.1
98.20631	4.2
104.53368	4.0
111.36753	3.8
129.73053	3.4
131.27058	4.3
171.10226	19.5
199.09750	13.1
207.10205	19.8
224.98029	3.7
225.11369	19.2
235.08185	11.2
253.09277	13.3
277.21713	100.0
278.22073	13.0
396.54074	4.0
443.19400	4.8
513.30341	8.0
675.95496	4.9
695.40015	51.2
696.40161	7.0
701.17200	4.1
721.41321	31.1
722.41956	5.2
775.40869	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	775.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83131	3.9
59.01366	8.5
61.98817	18.0
71.01359	4.8
71.08665	3.9
71.55019	5.5
79.42638	3.8
89.02450	6.6
95.61810	4.0
96.96003	4.8
101.02416	6.8
109.06602	6.1
117.84787	3.9
125.09676	5.6
137.73479	4.0
163.11185	4.5
171.10219	18.9
199.09781	42.9
207.10220	53.9
215.12921	3.9
225.11320	48.9
226.51105	4.0
253.09219	17.3
277.21713	100.0
278.22073	9.3
281.06662	3.8
435.18546	16.0
443.19043	18.0
461.20081	15.4
663.54785	4.4
685.60815	4.8
695.40039	77.1
696.40607	19.7
721.41766	59.9
722.41760	18.0
742.09265	4.3
742.24170	5.2
775.38983	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	773.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
61.10535	0.1
61.98819	0.3
71.01365	0.2
77.42272	0.1
78.95902	0.7
79.95734	3.7
84.41869	0.1
94.92493	0.1
96.96004	100.0
97.95940	0.4
102.36192	0.1
152.99608	0.1
170.07147	0.1
171.10295	0.2
185.11816	0.4
224.55400	0.1
229.34183	0.1
277.21677	0.2
278.03046	0.1
293.21066	0.2
309.20874	0.2
397.13293	0.1
407.17639	0.2
435.08203	0.2
453.09402	0.4
713.30780	0.5
773.43738	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98835	0.6
71.01378	0.1
71.14030	0.2
78.95897	0.9
79.95733	4.0
87.07086	0.1
94.92517	0.2
96.92209	0.3
96.96005	100.0
97.95946	0.3
118.96625	0.1
152.99591	0.2
185.11832	0.4
209.11751	0.1
264.06329	0.1
267.65674	0.1
277.21725	0.2
293.21124	0.1
309.20755	0.1
344.42563	0.1
407.17682	0.2
435.08121	0.2
453.09235	0.4
474.04202	0.1
474.41891	0.1
523.44342	0.1
713.30518	0.4
714.31677	0.1
773.43121	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	772.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98554	0.2
91.37036	0.2
106.08212	0.2
112.28434	0.2
135.72125	0.2
146.26704	0.2
170.26697	0.2
213.14940	0.9
214.15384	0.6
215.15572	0.3
260.45923	0.2
277.21841	0.3
278.22156	0.5
389.61804	0.2
538.78778	0.2
716.24078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03444	1.5
58.00600	0.7
59.01377	100.0
60.01716	1.4
61.98827	1.3
64.92696	0.4
66.59856	0.5
69.03449	0.6
71.01379	29.6
71.55949	0.6
72.99301	1.5
73.02935	10.5
83.01378	4.8
85.02941	9.8
87.00873	2.1
89.02438	15.1
95.01381	2.6
96.95983	2.9
97.02962	1.3
99.00888	1.6
99.36870	0.5
101.02436	19.6
104.41608	0.5
109.02969	0.7
113.02444	22.6
114.02768	0.7
119.03489	6.2
123.04535	1.8
123.72639	0.5
124.01662	0.8
125.02448	3.8
131.03482	1.0
131.48874	0.5
134.03645	0.6
137.02451	1.1
143.03503	4.8
149.04546	2.3
153.01965	0.6
153.05592	1.6
161.04549	9.1
175.03998	0.6
179.05595	5.1
183.13879	0.9
203.05516	1.0
221.06674	1.8
392.24957	0.6
507.22665	0.7
525.23755	0.8
525.33008	0.7
565.30328	4.9
566.30518	0.8
583.31201	18.3
584.31671	3.4
601.32257	9.6
601.41345	0.7
602.32819	1.1
625.32111	7.5
626.33313	1.1
643.33276	15.2
644.33484	3.6
669.38116	2.3
670.37384	0.5
685.34460	1.2
687.38220	2.3
729.40540	0.9
773.31024	2.2
774.30566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08902	0.8
57.03448	1.8
59.01160	0.7
59.01381	8.5
59.15492	0.8
61.98816	2.2
64.82933	0.7
69.03455	1.4
71.01376	4.5
71.05014	3.5
71.15522	1.4
73.02937	1.7
83.05003	1.0
85.02956	1.1
85.94485	0.8
87.00862	2.1
89.02440	2.8
93.03416	0.8
94.40419	0.8
95.05038	1.7
96.96005	5.6
97.02944	4.5
97.06580	3.9
99.00883	16.0
101.02426	4.7
109.06591	1.7
110.03767	0.8
111.08175	1.6
111.09332	0.8
113.02418	1.7
123.08170	1.4
125.09702	7.7
135.08118	1.0
142.02739	0.9
153.12936	0.9
161.04564	1.8
161.09685	1.3
163.11275	10.3
165.12820	2.7
166.13095	0.9
171.10243	6.5
181.12328	17.3
182.12630	1.1
183.13879	7.4
185.11784	0.9
188.62225	0.8
197.11816	4.7
199.13434	6.3
200.13606	0.7
207.10248	22.4
208.10628	1.5
209.11865	2.3
211.13356	2.0
213.64500	0.8
225.11307	27.7
226.11694	2.5
227.12808	1.9
235.08131	1.4
243.12329	13.0
244.12508	1.1
253.09262	2.7
258.11334	0.9
291.19730	6.3
309.20630	6.0
325.20184	1.5
327.21521	1.1
380.61578	0.8
430.88898	0.8
460.75549	0.8
461.20325	2.1
479.21243	3.3
524.58295	0.8
727.38763	1.1
771.41656	100.0
772.41998	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98807	100.0
68.99568	29.0
71.01390	15.3
71.54884	17.9
71.55308	22.4
78.95908	66.3
80.59027	16.0
152.99593	18.9
201.11317	43.0
223.13443	27.1
276.92770	19.9
277.21695	78.7
288.15778	19.3
293.21194	43.2
338.69577	18.5
422.79431	18.1
479.15723	18.2
505.14539	19.3
771.42157	92.7
791.34106	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	769.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.8
69.46412	2.6
71.01373	1.9
85.02966	0.4
87.84501	0.3
89.02437	1.2
93.54517	0.3
101.02435	1.6
113.02452	0.9
119.03489	0.3
161.04497	0.5
195.13869	0.5
213.14938	100.0
214.15265	5.2
227.96042	0.3
235.08281	1.7
253.09259	6.9
277.21686	62.6
278.22025	5.4
449.24005	2.1
513.30536	0.6
628.07971	0.3
641.59460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33803	1.9
55.01882	1.9
59.01372	42.3
61.98826	14.4
69.03449	2.2
71.01382	32.0
71.56644	2.6
73.02943	9.0
75.00879	1.8
83.01385	7.3
85.02940	15.0
87.00856	4.2
89.02434	16.0
95.01373	2.8
96.96014	20.7
99.00864	5.5
101.02440	26.5
106.63647	1.6
111.00938	1.9
113.02428	18.3
119.03481	7.0
125.02428	4.0
161.04518	4.9
163.78180	1.5
207.43369	1.7
209.11714	2.2
225.11436	1.6
295.68811	1.8
310.65652	1.7
337.98236	2.0
440.21701	1.7
487.32565	1.9
505.33221	5.7
523.33783	5.4
631.36591	6.4
649.37347	5.1
650.36890	2.0
665.28363	2.2
667.39172	25.8
668.39197	4.6
691.39276	3.7
711.41254	3.1
727.40076	6.0
729.42615	3.6
735.37958	100.0
736.38226	19.5
771.34943	18.9
772.35815	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	769.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70673	0.5
54.73819	0.5
55.01859	1.7
57.03443	4.5
59.01376	31.7
61.98823	3.3
62.22252	0.5
66.91838	0.5
69.03443	1.6
71.01376	23.0
71.16676	0.6
72.98995	0.5
72.99306	5.2
73.02949	5.6
75.00869	18.8
83.01382	3.4
84.02134	0.7
85.02943	22.2
86.03254	0.7
87.00880	5.1
89.02443	3.8
90.41885	0.4
93.03455	0.9
95.01362	3.0
96.95989	2.4
97.02936	0.8
99.00877	7.0
101.02433	8.5
111.00877	1.1
112.01633	1.0
113.02441	21.2
115.00336	2.1
117.01922	1.1
125.02402	1.4
129.01910	1.2
131.03485	0.7
137.02399	2.5
143.03468	1.1
157.01364	0.8
161.04524	1.2
175.02400	1.1
213.18607	1.2
253.04988	4.8
254.05070	0.7
289.80853	0.5
313.23895	0.8
341.26962	1.2
345.30209	1.1
359.27975	5.9
360.28253	0.7
398.16400	0.5
459.29874	0.8
489.34482	0.6
503.32224	3.8
504.32916	0.9
506.79739	0.6
507.81091	0.6
519.31580	0.9
521.33234	48.0
522.33582	7.3
563.34167	1.7
665.37512	8.6
666.37939	2.2
683.38513	6.5
684.38818	1.1
714.49670	0.6
725.39581	100.0
726.39996	19.1
769.38696	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03463	5.4
58.00591	2.8
59.01378	80.8
61.98819	2.2
69.03454	1.4
69.28080	4.3
69.28512	4.3
71.01380	59.3
72.99317	3.7
73.02942	16.6
74.82403	0.9
75.00859	2.0
81.11687	1.0
83.01380	9.6
84.56734	1.1
85.02951	24.3
86.03320	0.9
87.00876	5.6
87.04454	1.1
89.02443	27.0
94.59239	0.9
95.01390	8.2
96.96029	5.9
97.02971	2.2
98.19852	1.7
99.00881	4.4
101.02443	36.5
109.06638	1.2
111.00883	3.2
113.02442	24.9
119.03510	10.0
125.02452	3.5
131.03490	2.2
143.03520	3.1
148.05249	1.2
149.04503	1.5
159.03030	2.6
161.04546	6.7
171.13928	4.1
179.05626	3.7
311.05460	1.5
315.18143	2.0
333.19220	3.0
359.27972	2.0
434.68716	1.2
485.31000	2.7
503.32224	13.5
504.32529	2.2
521.33411	8.3
522.34100	1.3
545.33655	1.3
665.37494	100.0
666.37903	19.5
683.38519	48.9
684.38983	12.2
725.39612	39.4
726.39966	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	769.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03450	0.8
58.00594	0.8
59.01379	100.0
60.01714	1.0
60.36184	0.3
61.98840	1.0
62.61753	0.3
69.03457	1.0
69.69662	1.5
71.01379	25.8
72.99323	1.2
73.02945	36.6
74.03303	0.5
75.00869	0.6
78.02679	0.3
78.28391	0.3
81.03474	0.6
81.88371	0.3
82.56679	0.3
83.01387	10.3
85.02949	4.3
87.00886	0.9
89.02442	7.6
95.01410	1.3
96.95983	0.6
97.02984	0.9
98.19991	0.7
99.00883	0.4
100.13132	0.3
100.71546	0.4
101.02442	32.8
102.02802	0.5
107.27493	0.3
109.86465	0.3
113.02446	14.2
114.02788	0.4
116.27487	0.3
119.03513	4.4
123.04549	0.5
125.02467	1.3
131.03502	2.9
134.03720	0.4
143.03491	3.9
149.04549	6.9
150.03218	0.8
155.03496	1.4
161.04547	11.3
165.05576	0.7
169.04311	0.3
169.07419	0.3
179.05617	0.6
203.05515	1.9
221.06644	2.7
309.09854	0.3
313.12952	0.5
355.14169	0.6
420.88223	0.3
451.92868	0.4
645.34241	0.4
665.37604	0.5
725.39496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.3
71.01379	2.3
73.02957	0.8
77.89105	0.6
79.53104	0.7
83.05008	0.9
89.02442	1.6
99.05002	0.7
101.02419	2.3
113.02443	1.2
157.80566	0.7
161.04524	0.8
183.13878	6.1
193.12379	1.1
211.13383	100.0
212.13737	4.9
235.08170	2.5
253.09196	6.8
277.21707	78.7
278.21985	7.8
343.44427	0.7
429.21152	2.3
447.22372	6.9
448.22629	0.8
513.30573	1.8
657.98529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46465	0.7
54.34116	0.7
57.03426	0.9
59.01376	7.8
60.99294	1.1
61.98809	2.4
69.03426	1.1
70.79356	1.5
70.79716	0.6
71.01377	4.7
72.99292	5.8
73.02940	1.4
83.05034	1.2
83.98144	0.7
84.88399	0.7
85.02931	1.1
85.96191	0.8
87.00857	1.3
88.98804	8.6
89.02431	4.5
95.04999	1.3
96.95988	0.7
97.02953	1.6
97.06602	2.0
101.02448	5.0
109.42221	0.8
111.08138	2.7
113.02430	3.1
137.09761	1.0
145.04948	1.0
159.11821	1.4
161.04555	1.4
161.68881	0.7
165.12764	2.1
169.12318	1.8
171.10260	2.0
177.12817	13.1
181.12331	0.9
195.13885	74.9
196.14243	5.2
197.11829	10.2
209.11670	1.2
211.13310	2.1
221.11757	2.8
227.12842	1.1
235.08211	2.3
239.12923	5.1
247.20714	1.8
253.09171	3.7
280.32199	0.8
291.19739	6.8
292.20056	0.9
309.20712	10.1
395.58624	0.8
457.20514	1.6
475.21860	3.3
767.42163	100.0
768.42523	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	767.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63241	0.4
55.01867	1.5
57.03453	4.2
57.44891	0.4
59.01379	29.0
60.01715	0.6
61.57906	0.4
61.98835	2.8
67.01898	0.4
68.99811	0.7
69.03437	0.8
71.01380	20.8
72.99303	5.0
73.02941	4.2
75.00870	23.3
78.44555	0.4
81.03492	0.4
83.01390	3.9
84.02181	0.5
85.02946	23.9
86.00140	0.4
86.03269	0.5
87.00881	6.7
89.02435	2.1
93.07090	1.2
95.01375	3.0
96.96008	3.0
97.02969	1.0
99.00879	7.6
101.02442	5.6
103.75365	0.4
111.00855	1.5
112.01624	0.6
113.02444	20.9
114.02776	0.7
115.00382	2.0
117.01933	1.3
119.03487	0.6
119.05078	0.5
125.02402	0.7
127.91668	0.4
129.01964	0.6
131.33145	0.4
137.02431	0.6
153.04431	0.4
157.01401	0.8
159.03058	0.5
161.04497	1.0
173.43762	0.4
175.02446	1.7
211.17033	0.7
213.18579	1.5
227.16492	1.8
327.25235	0.7
339.25305	1.3
357.26556	2.9
435.31058	0.4
487.32166	0.5
501.30551	3.5
505.33499	0.6
519.31702	20.9
520.32214	3.9
561.32855	2.2
681.36621	0.9
705.37781	0.8
723.38043	100.0
724.38440	20.3
724.47864	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
57.03434	0.7
58.00591	0.6
59.01377	12.5
59.05849	0.2
61.98816	0.7
63.67327	0.2
69.03445	0.3
69.36141	1.6
71.01379	9.4
72.99293	0.7
73.02946	2.6
75.00851	0.4
83.01373	1.4
83.05033	0.2
85.02951	2.9
87.00859	0.7
89.02441	3.8
89.02964	0.1
93.07100	0.4
95.01399	1.1
96.51640	0.2
96.96021	1.4
97.02924	0.3
99.00903	0.6
101.02441	6.1
106.29256	0.2
111.08141	0.6
113.02453	3.0
119.03508	1.2
119.04964	0.3
125.02397	0.5
143.03548	0.3
147.06534	0.2
149.04457	0.2
161.04543	0.7
163.04030	0.3
175.02138	0.2
207.63490	0.2
222.28801	0.2
227.16518	5.4
228.16797	0.3
231.74352	0.2
241.18152	0.2
297.24374	0.5
311.26031	0.3
327.25369	2.2
328.25629	0.4
339.25372	4.4
340.25555	0.3
357.26440	10.8
358.26761	1.1
501.30695	6.7
502.30902	1.1
519.31702	100.0
520.32043	14.5
561.32678	1.9
562.33148	0.4
720.69043	0.2
723.38153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94584	0.5
57.03435	0.5
59.01378	30.6
66.75913	0.5
71.01378	5.7
71.55524	0.9
73.02940	1.3
75.00873	0.7
77.03957	0.7
79.01894	0.6
85.02943	1.6
87.00858	1.3
89.02448	4.4
90.70006	0.5
93.03419	1.3
96.96004	2.0
101.02444	3.0
105.03488	0.6
113.02421	2.2
115.00367	0.8
117.03454	7.6
119.03500	1.5
119.05022	1.2
121.02940	1.8
123.04508	1.1
129.01903	0.8
133.02965	0.7
135.04495	2.0
143.03474	0.9
147.02954	0.7
149.02435	1.1
159.04500	1.2
161.02417	2.6
161.04503	1.3
163.03955	3.0
165.01921	0.8
175.02545	1.0
179.03410	0.6
179.05568	3.0
187.03951	0.6
188.04797	0.6
191.03490	1.8
197.06078	0.9
199.04016	0.6
203.06996	0.7
209.06042	0.7
211.07515	0.8
215.07135	1.0
232.32190	0.5
239.07147	2.0
245.09236	0.7
249.13406	2.4
261.05359	0.5
267.06735	0.7
268.03723	1.5
268.92166	0.5
269.04425	2.0
270.05258	0.6
279.06583	0.8
281.04553	3.0
282.05313	2.1
283.06085	39.2
284.06390	3.5
284.34186	0.6
291.14493	2.3
293.04550	1.8
294.05438	0.6
295.06052	1.7
309.04129	0.7
309.11316	1.5
311.05582	74.0
312.05939	6.5
313.07248	0.7
323.05536	3.9
327.05054	1.6
339.05206	1.0
339.12146	2.5
341.06662	9.1
341.10559	1.0
353.06396	1.0
353.10178	1.6
369.05945	0.8
371.10947	0.8
385.05646	1.5
415.07108	0.7
431.09781	100.0
432.10068	12.4
489.10321	1.2
501.17346	1.0
505.09833	4.9
506.10712	0.7
575.14557	1.8
591.13812	3.7
693.19720	0.6
733.86426	0.7
767.26666	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	765.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
61.11251	0.4
62.35048	0.4
63.96233	1.8
69.03438	1.0
69.55292	0.7
69.55701	2.9
71.01373	7.7
72.99286	0.4
73.02936	1.9
74.01664	0.3
78.98579	6.7
79.37535	0.4
79.95732	13.5
80.96510	73.6
81.03446	1.1
87.00872	3.4
94.98084	16.6
95.01405	0.5
96.95984	1.2
97.02940	1.6
99.00880	0.6
101.02420	2.8
102.82746	0.5
106.98069	2.7
122.97572	4.0
125.02417	3.6
127.04036	0.7
127.91421	0.4
129.12306	0.4
133.62627	0.4
134.97583	6.3
136.99136	1.8
148.99129	6.9
152.98639	5.7
164.98610	14.1
179.00092	0.6
183.13890	3.5
188.98720	0.6
206.99704	3.1
225.00716	22.8
226.01016	1.3
233.95294	0.4
255.23328	2.3
314.77814	0.5
471.08612	0.5
509.16757	2.4
537.27045	1.0
765.40894	100.0
766.41272	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	763.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03446	2.3
58.00592	0.6
59.01377	11.9
61.15697	0.2
61.98498	0.3
61.98825	6.1
67.11551	0.3
68.99817	1.7
69.03450	1.3
71.01380	13.9
72.99297	1.2
73.02943	5.5
75.00870	13.0
80.01838	0.2
81.03468	0.3
83.01388	2.4
85.02944	16.8
86.00068	0.6
86.03268	0.3
87.00864	0.9
87.04515	0.4
89.02456	1.6
91.61086	0.3
95.01377	2.2
96.96014	0.5
97.02952	0.4
98.20681	0.9
99.00882	10.3
101.02431	2.0
103.03987	0.7
111.00915	0.5
112.01671	0.7
113.02443	6.9
115.00327	0.6
119.03442	0.3
127.04034	0.3
129.01910	0.5
131.03461	0.4
145.04996	0.3
157.01395	1.1
211.74695	0.2
263.07623	0.4
279.59378	0.3
423.32111	0.3
439.35843	2.1
440.36276	0.4
509.39600	0.4
566.62842	0.3
584.99164	0.3
763.46326	100.0
764.46649	26.7
764.61053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
58.02974	5.5
58.72394	0.3
59.01377	10.3
63.02396	0.4
65.00341	0.4
67.17449	0.2
70.02975	6.2
71.01377	4.7
71.57476	0.4
71.57863	0.3
72.00910	2.0
72.04556	1.0
72.99306	6.2
73.02945	0.4
74.02472	37.5
75.02817	0.4
77.03969	0.5
79.01873	0.4
83.01385	0.8
85.02947	2.7
87.00880	0.6
87.81995	0.2
89.02467	0.8
93.03465	0.5
95.01395	0.5
96.96018	3.9
97.02934	0.5
98.02471	9.1
98.95584	0.7
99.00876	0.3
101.02435	0.8
107.01410	0.3
113.02444	4.5
116.03545	8.9
116.05054	13.2
117.03429	2.1
117.05406	0.5
119.03474	0.3
119.05105	0.3
121.02907	0.5
130.06638	1.5
131.03456	0.4
142.06604	3.5
146.03856	0.3
149.02434	0.7
150.03198	0.6
151.00420	0.4
155.23502	0.3
157.01367	0.4
159.04535	0.6
159.09242	3.3
161.02455	1.0
161.04593	0.4
162.03194	0.4
163.00307	0.3
165.01903	0.6
177.05540	0.4
183.04462	0.5
183.09344	0.6
186.05565	0.9
187.17336	0.3
195.06612	0.8
201.10336	3.2
203.08247	38.1
204.08586	1.9
209.75867	0.3
225.05730	0.3
225.07770	0.5
227.03697	0.4
239.07111	0.5
245.09286	100.0
246.09639	7.5
268.03799	0.7
269.04532	23.7
270.04865	2.8
281.04480	1.4
282.05246	1.2
283.06119	9.6
284.06500	1.3
289.05615	5.8
290.05731	0.7
293.04477	0.6
295.06076	1.2
309.03900	0.4
311.05594	18.1
312.06012	2.2
314.04324	0.4
323.05649	1.8
333.04517	0.5
341.06625	5.8
342.06961	1.1
353.06741	0.8
387.20197	1.0
392.10138	0.3
393.06665	4.0
394.07248	0.4
413.09247	0.4
429.21353	0.8
431.09799	22.0
432.10101	4.7
433.10294	0.4
519.26538	0.3
559.10889	3.7
560.11115	1.1
663.12061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12394	20.6
60.30912	19.7
62.83819	21.6
65.50861	27.7
65.63727	20.4
71.04352	46.0
71.04691	20.4
78.95911	30.9
87.48067	19.7
90.31200	23.5
111.55255	19.6
116.20108	18.8
185.11827	71.6
211.13358	79.0
277.21707	100.0
603.30280	26.4
761.42444	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	762.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.52975	0.4
81.59860	0.3
85.28623	0.3
88.98817	0.4
89.75169	0.3
96.96021	0.8
100.37035	0.3
127.95969	0.3
169.27061	0.3
171.10263	0.9
172.10664	0.4
175.51534	0.3
281.78238	0.3
309.20502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	7.0
61.30972	2.5
61.98829	74.6
65.76599	2.4
70.82010	5.9
70.82359	2.9
71.01388	3.9
72.79402	2.4
72.99291	6.4
78.95885	3.0
85.59223	2.2
87.00864	2.3
88.98817	6.8
89.02460	5.9
94.45800	2.4
101.02438	7.2
104.00388	2.8
113.02477	3.0
114.44580	2.6
141.77197	2.9
149.51553	2.5
158.96251	2.6
165.12805	7.6
170.73961	2.3
171.18950	2.1
183.13901	61.2
209.11700	4.0
212.32675	2.6
268.10953	2.6
277.21698	70.0
278.22006	7.1
483.42776	3.2
622.45764	2.7
723.43188	100.0
724.43732	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93311	0.4
59.01374	5.9
61.98829	2.4
69.03469	0.5
71.01371	2.5
73.02976	0.7
76.99891	0.4
77.94576	0.4
85.02934	0.5
89.02451	1.2
96.96011	0.7
97.02966	2.4
98.20641	1.0
99.00906	0.5
101.02468	2.2
111.08154	1.5
113.02459	1.2
119.03481	0.6
125.09726	1.4
127.11274	1.4
137.09735	0.6
143.03578	0.5
161.04536	1.3
162.23582	0.4
163.11276	0.6
165.12840	1.7
169.12325	0.7
171.10268	100.0
172.10616	5.6
179.05695	0.5
181.12315	0.7
195.89952	0.4
197.11836	8.2
198.12143	0.5
209.11780	0.9
211.13339	2.3
227.12886	1.6
235.08246	5.1
247.20741	1.5
253.09250	10.3
263.19977	0.6
273.18619	0.8
291.19647	19.8
292.20123	2.0
309.20709	38.7
310.21024	3.1
363.16443	0.4
407.19183	3.9
463.30569	1.7
465.79489	0.5
527.28955	1.6
545.29498	2.4
546.30243	0.5
725.61353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	35.2
71.58485	16.7
75.00843	36.2
76.27743	15.7
79.64243	17.3
88.98816	33.5
116.94712	13.3
152.99426	15.4
225.11230	36.0
235.07964	15.3
277.21628	100.0
278.21964	19.8
453.56970	15.2
614.00269	16.3
721.41266	46.9
757.39612	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	757.393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18578	11.9
61.98798	24.6
72.62804	13.3
74.33995	13.6
78.95905	19.5
88.98807	16.0
96.81081	12.6
98.19872	34.8
164.62386	11.1
180.37099	12.0
196.89554	13.7
225.09222	13.0
225.11279	49.1
277.21582	42.8
278.22086	15.2
356.81482	14.5
461.20264	26.7
633.92377	13.6
721.41614	48.5
757.39215	100.0
758.39032	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	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.5
58.00573	0.8
59.01373	8.0
61.98821	3.5
69.03445	0.7
71.01377	6.7
71.56257	0.9
73.02939	1.5
77.69521	0.6
83.05019	0.9
85.02948	2.2
87.00876	1.1
88.98817	0.8
89.01980	0.6
89.02446	3.5
95.01344	0.6
97.06549	0.8
99.00864	1.0
101.02428	5.4
111.08154	7.1
113.02455	2.7
119.03465	0.8
138.80235	0.6
152.99602	0.8
161.04520	1.9
163.11272	0.8
165.12848	11.9
169.12340	3.2
171.10266	2.8
179.05699	0.8
181.12328	1.7
183.13889	82.6
184.14229	5.8
197.11824	29.0
198.12126	1.8
199.13396	4.1
207.10249	1.4
209.11801	4.4
211.13367	4.1
215.12932	0.7
225.11307	2.0
227.12891	8.9
228.13054	1.1
235.08189	2.5
253.09273	6.4
263.20084	1.7
291.19650	4.4
293.21204	3.0
309.20663	13.3
310.21088	1.4
327.21362	0.7
419.22556	0.7
430.89075	0.7
445.20737	2.5
446.21072	0.8
463.21890	3.8
737.41510	1.2
755.42181	100.0
756.42523	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	755.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
57.03431	4.2
59.01374	68.3
60.01713	1.4
61.98829	20.5
69.79823	7.7
71.01379	51.0
72.01701	2.1
72.99296	4.6
73.02937	13.8
75.00881	3.3
83.01382	8.2
85.02943	24.6
87.00872	4.2
88.98815	2.1
89.02442	15.8
93.03467	14.9
95.01384	5.7
96.96011	12.9
97.02971	3.8
99.00885	5.0
101.02431	35.1
109.02898	2.9
111.00872	4.5
113.02448	23.6
119.03488	6.7
121.02945	3.3
125.02423	8.2
127.00327	1.7
131.03487	1.9
134.03752	2.0
137.02428	27.9
139.57121	1.4
143.03468	2.8
153.01952	5.9
159.02969	2.7
160.01680	2.0
161.04495	6.3
161.05779	1.8
165.04037	3.0
175.03979	2.8
193.04999	2.8
200.04425	1.7
201.80573	1.4
269.04617	1.7
297.12115	1.5
315.10739	1.8
345.30103	7.2
489.34256	5.2
507.35275	8.5
508.35672	2.4
650.37317	2.3
651.39471	100.0
652.40118	18.7
669.40558	54.0
670.41217	10.4
711.41748	31.7
712.42279	9.5
755.30157	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	755.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96562	0.6
57.03433	1.8
59.01375	6.2
61.98818	2.4
69.03442	2.0
69.49811	1.2
69.50220	3.4
71.01370	4.4
73.02934	1.7
78.95869	0.6
83.01383	1.1
83.04993	1.2
85.02935	2.1
87.00866	1.8
89.02418	3.2
89.68143	0.5
96.96001	0.9
97.02934	3.6
97.06569	1.0
98.20620	0.8
99.00815	0.5
101.02437	5.4
109.06605	0.6
109.12393	0.6
111.07439	0.6
111.08155	3.7
113.02455	2.7
125.09696	0.9
137.09708	1.8
143.03513	0.9
161.04477	1.7
163.11264	2.5
165.12837	18.9
166.13142	0.9
169.12373	0.9
171.10262	5.3
175.11259	0.7
179.14363	0.8
183.13887	63.2
184.14175	4.0
185.11784	0.6
193.12250	0.6
193.16019	0.7
195.13838	0.6
197.11824	8.2
198.12144	0.8
199.13374	1.9
207.10201	1.3
209.11746	4.4
211.13361	2.7
225.11301	1.5
227.12872	7.8
235.08171	2.1
247.20558	1.9
253.09294	6.2
273.18564	1.0
275.20172	0.8
291.19647	16.5
292.20084	1.8
293.21213	2.7
307.22128	0.6
309.20718	15.1
310.20956	1.3
327.21579	1.8
445.20679	2.2
463.21811	3.3
501.29196	0.6
593.63849	0.7
737.40161	1.2
755.42145	100.0
756.42487	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	755.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42926	0.9
55.01864	2.6
57.03441	4.2
58.00570	1.0
58.14542	0.9
59.01377	61.1
59.39597	0.9
61.98826	2.2
69.03455	1.3
69.42269	2.1
69.42666	6.3
71.01378	35.6
72.99318	2.6
73.02950	12.3
75.00868	1.3
81.03474	1.1
83.01381	7.0
85.02947	21.7
87.00873	4.7
89.02431	10.4
93.03436	1.5
95.01385	5.3
97.02944	3.0
99.00886	4.6
101.02440	24.4
107.37321	0.8
109.02937	1.4
111.00887	4.2
112.01652	1.0
113.02440	16.9
114.02789	1.0
119.03485	2.5
124.01707	1.2
125.02431	5.1
129.01947	1.4
131.03548	1.2
137.02461	5.1
141.01849	1.1
143.03511	3.5
153.01888	2.4
159.02975	2.2
159.22961	0.8
161.04536	3.1
179.88158	0.8
183.91443	0.9
213.18587	3.4
299.25943	1.4
345.30087	6.9
405.11743	0.9
487.53839	1.0
489.34628	4.7
507.35413	9.0
508.35959	1.2
604.88800	1.0
651.39551	100.0
652.39856	19.3
669.40637	66.7
670.41071	12.6
711.41614	36.0
712.42169	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	755.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13897	1.2
55.01873	4.4
57.03445	4.7
58.00578	2.2
59.01377	59.4
61.98830	34.1
69.03444	2.0
69.46772	7.7
71.01379	51.2
72.17501	1.1
72.99300	3.7
73.02940	10.8
73.67432	1.2
75.00871	6.3
83.01390	8.1
85.02942	26.0
86.00079	2.2
87.00874	4.6
88.98849	1.8
89.02456	11.3
93.03454	8.3
95.01372	6.4
96.96022	8.0
97.02956	1.8
98.19954	2.9
99.00867	4.9
101.01788	2.1
101.02439	29.8
102.82249	1.2
109.02879	2.3
111.00879	4.7
112.01665	2.0
113.02438	26.2
119.03481	4.8
123.04517	4.4
125.02431	5.8
129.01927	2.1
134.03667	2.5
137.02448	12.3
143.03461	4.0
144.77177	1.2
147.14301	1.1
149.06068	1.2
153.01892	2.3
153.05551	3.7
159.02931	2.1
161.04517	5.0
165.04039	13.2
174.01744	1.7
175.03966	1.3
177.02029	1.4
193.05052	3.8
213.18623	2.2
315.10568	2.0
329.91327	1.3
345.30054	5.1
346.30026	1.3
489.34488	7.7
490.34259	1.8
502.48535	1.2
507.35498	11.2
651.39502	100.0
652.39636	18.1
669.40588	54.6
670.40997	11.5
711.41736	32.9
712.41962	7.0
733.33545	1.3
733.82654	2.1
755.27435	2.2
755.39594	2.2
756.30127	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	753.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83061	0.9
55.01867	4.1
57.03443	4.1
58.00593	1.8
59.01377	91.6
69.03442	1.7
71.01379	51.8
71.01993	2.0
72.01701	1.0
72.99303	3.1
73.02949	12.5
77.85745	1.2
81.03481	1.7
83.01384	9.6
85.02947	23.3
87.00411	1.3
87.00858	5.6
89.02444	24.6
93.07117	2.2
95.01384	6.0
97.02939	3.2
97.37260	1.2
99.00883	4.8
100.16360	1.1
101.02441	38.3
111.00871	3.5
111.08147	1.4
113.02445	25.1
119.03481	7.9
125.02444	4.4
129.01929	1.1
143.03517	3.5
159.02873	1.6
161.04567	4.7
164.69995	1.0
179.05548	1.3
206.15854	1.1
213.18573	3.7
300.29797	1.1
375.23981	3.2
424.23547	1.1
487.32629	6.7
505.33484	7.3
594.74707	1.2
649.37958	100.0
650.38306	16.0
667.39032	70.5
668.39612	8.2
709.40021	42.0
710.40033	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	753.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
57.03439	5.5
59.01376	100.0
61.98816	16.7
69.40899	18.5
71.01004	4.3
71.01379	64.0
71.01772	4.4
72.99305	5.2
73.02926	15.2
75.00852	3.6
81.45694	2.3
83.01380	11.0
85.02940	31.6
87.00864	8.7
89.02448	26.3
89.34677	2.4
93.03445	2.4
95.01367	6.7
96.96014	22.7
99.00894	5.9
101.02437	37.6
113.02457	32.3
119.03478	8.6
119.09353	2.5
125.02422	7.1
137.02399	3.6
143.03470	4.2
161.04579	8.4
173.36572	2.3
203.50406	2.5
251.11369	2.9
252.08998	3.0
253.04980	2.6
319.10226	2.7
375.23999	2.8
461.27423	7.4
487.32758	5.8
497.13739	3.5
505.33792	8.3
633.38232	3.0
649.37958	95.6
650.38324	16.6
667.39075	56.9
668.39270	16.5
709.40094	35.4
710.40381	7.1
753.33209	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	753.391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54545	0.6
55.01864	2.4
57.03444	5.3
58.00580	2.4
59.01376	50.7
59.55334	0.5
60.01700	0.6
61.98827	5.2
63.16322	0.6
64.56322	0.6
65.28836	0.5
68.99806	0.8
69.03457	1.1
69.30124	3.6
69.30532	1.6
71.01377	42.6
72.99290	2.8
73.02939	9.6
75.00859	1.2
81.03474	0.6
82.72214	0.6
82.95375	1.0
83.01393	6.2
85.02950	22.0
86.00086	1.8
87.00862	3.8
89.02439	13.5
93.03460	1.4
93.07108	1.3
95.01393	6.4
96.96016	4.0
97.02942	1.6
99.00861	3.6
99.04472	0.9
101.02438	24.4
109.02938	1.1
111.00900	3.1
112.01685	1.1
113.02438	22.1
114.02747	0.9
119.03484	4.7
123.04494	1.0
124.01654	1.6
125.02430	4.5
129.01990	0.7
134.03741	0.7
137.02414	2.1
141.01912	0.8
142.02678	0.6
143.03491	2.0
153.01910	2.7
159.02994	1.2
160.01608	2.2
161.04532	4.1
175.03983	2.0
213.18570	2.1
224.62071	0.6
301.81635	0.7
315.07126	0.7
319.10281	1.0
343.28436	0.7
357.22751	0.9
375.24051	1.8
401.22110	0.8
441.21323	1.3
487.32678	5.4
488.33008	0.8
505.33881	7.3
506.34332	1.2
547.35297	0.8
649.37970	100.0
650.38306	18.2
667.39056	43.4
668.39337	7.3
709.40143	21.9
710.40698	4.8
753.32782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
56.94211	0.2
57.03465	0.4
58.00589	1.0
58.02951	0.2
59.01377	100.0
60.01703	1.0
60.01984	0.3
64.48683	0.2
69.03454	1.9
69.19257	0.2
69.66803	1.4
71.01380	32.1
72.01730	0.4
72.99300	1.1
73.02943	52.6
74.03294	0.7
75.00868	0.8
81.03452	0.6
83.01385	13.3
84.01710	0.4
85.02944	4.1
87.00874	1.0
88.73306	0.2
89.02443	8.1
90.35192	0.2
95.01367	1.2
96.95994	0.4
97.02946	0.9
99.00864	0.7
99.04535	0.4
101.02438	43.3
102.02753	0.9
111.00876	0.3
113.02445	14.4
114.02803	0.6
119.03500	4.2
119.55779	0.2
125.02447	2.4
130.66370	0.2
131.03500	3.8
143.03499	4.4
148.04066	0.2
149.04546	7.8
155.03448	1.6
160.01697	0.2
161.04546	14.4
162.04796	0.4
181.26231	0.3
191.05495	0.3
202.71359	0.3
203.05589	2.4
221.06638	3.2
337.09177	0.3
353.06485	0.4
473.10562	0.6
576.14240	0.5
653.53583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03451	1.4
58.00583	0.6
59.01377	100.0
60.01711	0.9
63.96386	0.3
65.23122	0.3
67.01884	0.3
69.03456	1.4
69.84554	1.3
71.01379	17.9
72.99298	0.5
73.02946	7.2
74.99046	0.3
75.00882	1.1
78.45753	0.3
83.01387	2.0
85.02946	9.5
85.25372	0.3
87.00896	0.5
89.02441	6.8
95.01383	3.9
96.96071	0.4
97.02970	0.7
98.19958	0.4
99.00918	0.4
101.02437	17.4
113.02444	25.4
114.01967	0.9
114.02748	0.5
119.03504	4.0
121.92949	0.3
122.82043	0.3
125.02398	0.6
131.03496	4.3
135.65686	0.3
143.03503	2.9
147.02998	0.7
149.04570	4.4
161.04546	8.3
162.04893	0.5
179.05638	0.8
221.06584	2.3
232.06091	0.4
278.10431	0.3
285.14914	0.3
325.12881	1.6
367.00140	0.3
529.27368	0.3
574.88550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4479
Annotation	decarboxy-demycosaminyl-nystatin
Peak:m/z	Relative Intensity
54.79061	0.3
55.01879	1.6
56.70143	0.3
57.03448	3.0
58.00597	0.6
59.01378	11.1
59.59481	0.2
61.98815	0.9
65.92039	0.3
67.01878	0.3
68.99816	1.5
69.03436	0.4
70.47135	0.8
70.47489	0.3
71.01379	20.4
72.99297	1.4
73.02940	2.6
75.00869	12.7
83.01379	2.8
85.02949	14.7
86.00074	0.3
86.03254	0.5
87.00854	0.8
89.01938	0.4
89.02444	6.6
91.61306	0.3
95.01382	2.7
96.96018	0.6
97.02972	0.2
99.00877	10.1
101.02420	1.3
109.54980	0.2
111.00869	0.5
112.01656	0.4
113.01718	0.5
113.02449	6.0
115.00338	0.5
129.01904	0.4
130.17609	0.3
131.03487	0.8
139.00397	0.4
148.09039	0.2
154.87195	0.3
157.01427	1.3
172.85789	0.2
196.32227	0.3
206.36713	0.3
287.22592	0.3
307.70560	0.3
312.36029	0.2
344.85254	0.3
375.13345	0.3
421.30994	0.3
439.35861	1.9
509.39731	1.2
599.39124	0.5
749.44733	100.0
750.45087	24.4
750.59357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.6
59.01377	8.4
60.63277	1.0
61.98816	4.2
63.19481	0.8
70.94542	1.6
70.94884	1.6
71.01370	4.4
73.02911	1.1
75.40572	1.0
80.38840	0.8
82.83864	0.9
83.05024	1.1
85.02969	1.1
86.09367	0.9
87.00876	1.1
88.08923	0.9
89.02450	2.3
97.06611	0.9
101.02444	3.7
113.02436	1.0
113.65652	0.9
120.76094	1.2
139.25102	0.9
161.04587	0.9
171.10161	1.4
177.12857	11.0
195.13890	61.0
196.14268	3.6
197.00479	0.9
198.50034	1.1
221.11671	1.8
223.13342	3.1
235.08215	2.1
235.50409	1.0
239.12885	4.7
250.53815	1.0
253.09360	4.7
275.20062	4.8
293.21213	21.9
294.21405	1.1
457.20529	1.9
475.21744	3.9
552.13525	0.9
694.53107	1.0
709.28613	1.1
751.42664	100.0
752.42969	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	747.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03442	0.6
59.01377	100.0
60.01712	1.3
61.98826	1.2
71.01376	12.1
71.55514	0.6
72.01767	0.5
72.99304	1.0
73.02943	6.4
83.01371	2.3
85.02944	4.8
85.08920	0.5
87.00880	0.7
89.02452	2.3
89.05492	0.5
92.88306	0.4
95.01395	1.2
96.96019	4.2
97.02966	0.5
99.00909	1.4
101.02429	10.7
101.03076	0.6
103.08372	0.5
113.02445	4.9
119.03531	0.9
125.02458	0.6
143.03490	1.0
143.10817	2.2
159.02934	1.0
161.04535	4.5
163.72455	0.5
189.89447	0.5
203.05533	0.5
229.05031	1.1
269.10312	3.9
287.15048	1.3
305.16040	7.3
311.11365	2.2
347.17075	10.1
348.17834	0.7
351.31601	0.6
375.79266	0.6
447.09174	0.8
500.76981	0.5
754.69452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.6
67.90957	2.1
71.01377	16.8
85.02942	4.2
89.02441	17.0
95.01343	2.7
98.74911	2.1
101.02435	9.4
113.02429	6.1
115.39416	2.1
119.03481	10.3
120.00024	1.9
147.90309	2.0
161.04547	2.3
179.05647	6.3
250.88445	2.0
271.22699	2.9
301.98993	2.3
421.27560	2.1
532.47211	13.1
550.48785	2.5
712.53571	100.0
713.53705	24.0
748.51007	28.5
749.51886	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	747.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.74291	1.2
59.89557	1.3
60.78584	1.2
61.98813	3.8
98.19827	2.3
129.82625	1.6
144.62238	1.4
159.06625	1.3
189.68225	1.4
218.22021	1.4
259.94144	1.5
277.21567	2.8
281.32098	1.3
455.16977	2.3
473.18448	4.7
496.13715	3.2
511.16467	1.8
512.13477	10.5
526.15051	12.7
527.15308	4.6
600.18176	2.2
601.19501	3.9
613.19226	2.4
614.20154	79.2
615.20337	19.0
627.85486	1.5
632.17084	1.8
646.18970	10.5
647.19714	2.7
687.22919	5.3
747.25189	60.7
748.25470	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	745.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80178	18.1
58.51933	19.2
70.36584	52.2
70.36940	43.6
73.50883	20.9
73.63343	19.0
75.58018	20.5
92.35322	19.2
92.35915	22.5
193.93359	22.8
213.14912	26.1
225.71710	20.6
277.21915	28.9
283.26462	33.8
562.28534	25.0
745.47620	100.0
746.48431	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03443	0.8
59.01376	38.3
60.01718	0.4
61.98830	1.1
63.02391	1.5
65.00034	0.3
65.00342	1.0
67.01886	0.3
69.03426	0.3
69.20797	2.3
69.21201	0.5
71.01380	3.9
72.99303	33.6
73.02985	0.3
81.03433	0.3
83.01389	1.3
85.02946	7.5
86.03352	0.3
87.00872	0.3
89.02442	0.7
93.03455	0.8
95.01390	0.9
96.95998	3.0
97.02930	0.3
98.95589	1.0
98.96422	0.3
99.00887	0.9
101.02457	0.6
107.01391	2.2
109.02927	0.3
112.01668	0.3
113.02441	22.1
114.02805	0.5
115.00356	1.3
116.92857	0.8
117.03455	4.7
121.02960	0.5
125.02438	0.6
127.04019	0.9
131.03513	0.4
133.01378	0.6
133.02925	0.3
134.03670	0.3
135.04500	0.4
137.02327	0.2
149.02437	1.7
149.72560	0.2
151.00340	1.5
155.03514	4.0
159.04503	1.4
161.02423	1.3
169.06529	0.3
181.06583	0.3
183.04549	1.0
190.77713	0.2
196.05449	0.4
197.06053	0.7
201.05594	0.6
205.85806	0.3
224.04739	0.4
225.05510	1.9
226.00230	0.3
227.03441	0.7
245.06667	0.7
253.05092	0.2
268.03757	4.6
269.04523	100.0
270.04855	8.6
281.04501	0.8
282.05240	0.4
287.07791	0.3
323.05637	0.3
331.06662	0.6
337.06476	0.3
355.06668	1.2
373.07724	16.5
374.08093	1.1
417.06503	0.7
427.06689	4.4
428.06973	0.6
435.07614	0.8
477.08633	2.0
478.09616	0.3
509.10641	0.5
521.10754	0.3
539.11725	0.8
557.13068	0.3
643.12988	6.4
644.13397	1.3
738.37274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03460	1.5
58.00586	3.4
59.01374	63.2
61.98826	5.8
66.57494	1.1
71.01374	49.3
72.99306	3.2
73.02938	7.7
75.00910	1.3
83.01366	3.1
85.02943	13.8
87.00875	4.1
88.76099	1.0
89.02439	50.0
93.03444	4.0
95.01389	4.9
95.04915	1.0
96.78966	1.0
96.96005	17.8
99.00869	2.6
101.02440	24.4
101.03098	1.8
109.02941	1.7
113.02441	19.4
119.03493	16.9
119.04903	1.4
120.38305	1.2
121.02955	7.2
122.03736	15.7
123.04534	1.3
125.02437	3.8
131.03482	2.8
133.02933	3.2
134.03609	1.2
136.01704	1.7
137.02451	2.0
138.03192	1.5
143.03519	5.5
148.98517	1.0
149.02431	24.9
149.04497	1.9
150.03215	100.0
151.03493	5.2
153.05547	3.0
161.04517	8.9
162.03148	3.4
164.04779	4.3
165.05557	85.9
166.05879	4.8
170.36682	1.1
177.05515	2.6
179.05612	16.3
180.04297	6.7
181.05067	1.3
188.04590	1.4
193.67499	1.0
195.06602	41.0
195.23357	1.0
196.06937	2.5
196.89995	1.0
203.07103	1.9
221.06561	1.5
259.05997	1.1
278.05780	1.4
283.09909	1.5
294.05356	2.4
294.09586	1.1
297.04022	3.2
307.09344	1.7
309.07736	3.8
324.09967	4.0
327.08774	1.9
338.11685	1.3
339.08661	2.6
339.12350	7.4
340.12628	1.3
341.13687	1.4
357.13504	5.6
369.13443	16.4
370.13757	2.0
378.37521	1.2
449.16101	1.4
459.09207	2.3
474.16382	1.3
505.18494	3.5
517.18573	5.1
519.18677	1.4
531.18732	5.1
535.19623	23.9
536.20099	4.4
583.21777	2.1
679.23730	1.6
697.24927	25.9
698.25177	8.0
727.26288	1.8
745.15881	0.8
745.27161	21.5
746.27570	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	743.414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	39.2
62.59642	31.3
66.87440	39.7
71.38877	69.7
78.95901	97.0
118.99937	32.5
132.36627	37.9
134.12444	35.6
152.99519	66.3
211.13406	72.4
234.10004	43.1
277.21539	48.0
301.33972	39.7
382.33316	36.4
431.71448	34.1
447.21494	41.0
743.44830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00473	0.7
53.85732	0.7
59.01372	7.3
61.98828	3.4
63.59826	0.6
71.01380	1.5
71.55372	0.7
74.75326	0.7
89.02435	1.3
96.95996	1.2
101.02454	1.1
113.02458	0.9
121.10247	1.1
158.41139	0.7
161.04593	0.9
171.10255	100.0
172.10608	4.1
195.13835	1.8
223.13422	2.1
235.08220	5.1
253.09283	12.0
275.20135	9.5
293.21207	36.2
294.21420	4.4
407.19199	4.6
529.29913	1.4
554.78662	0.9
629.21155	2.0
732.89386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06409	0.7
57.95953	0.6
59.01373	4.4
61.98827	2.0
71.01373	4.7
73.02943	1.1
80.02685	1.1
81.03474	0.7
83.01375	0.7
83.05014	3.3
85.02967	1.3
87.00880	1.0
89.02453	2.3
98.20740	1.4
100.71132	0.6
101.02446	3.3
106.60130	0.6
108.07848	0.6
108.29179	0.5
109.06596	0.7
110.32127	0.6
113.02466	1.4
119.03495	0.6
125.09727	1.8
127.11315	1.5
135.08171	0.8
145.05035	1.0
155.10768	1.1
161.04539	1.1
163.11270	3.5
165.12807	1.7
171.10303	1.3
177.37531	0.6
199.09833	0.9
201.11319	37.9
202.11652	2.2
209.11818	84.1
210.12134	6.2
227.12862	10.1
235.08220	7.5
253.09256	14.5
254.09621	1.0
277.21701	100.0
278.22037	11.6
437.19958	1.6
461.32419	0.9
513.30646	1.1
602.87433	0.6
679.58881	0.7
720.74451	0.7
741.44745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
59.01377	37.4
61.98810	0.7
62.37730	0.6
69.03424	0.9
70.12521	0.6
70.41065	0.8
70.41409	2.3
71.01000	1.3
71.01378	16.6
73.02946	18.3
75.00853	1.0
75.26475	0.7
76.03018	0.7
83.01382	6.2
85.02937	3.1
89.02426	4.5
93.57697	0.6
95.01357	1.0
96.56436	0.6
96.95992	0.9
99.00862	0.9
101.01795	1.1
101.02437	16.7
108.08187	100.0
109.08527	3.2
113.02448	8.4
113.64474	0.7
119.03486	1.6
120.08191	2.5
125.02424	0.9
131.03510	1.1
132.08174	2.0
136.07614	0.7
143.03548	1.3
148.07660	1.4
149.04546	3.7
149.05786	0.9
152.07161	86.0
153.07509	3.7
161.04495	4.4
164.07130	0.9
166.08714	18.7
167.03496	0.7
167.08992	1.0
168.03477	0.8
171.65918	0.7
176.07210	1.1
181.01720	0.6
194.08214	6.6
195.06509	0.8
196.06128	62.3
197.06412	3.5
200.05591	0.7
203.05624	1.6
238.07147	9.0
268.08014	0.7
273.05725	0.8
280.08380	0.8
286.55774	0.7
298.09314	9.8
299.09650	1.0
313.28873	0.6
331.11905	1.8
358.11401	91.0
359.11749	9.0
523.18494	0.9
620.00751	0.7
623.62482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90818	1.4
55.77507	1.3
57.03453	1.8
59.01375	25.0
59.53586	1.3
61.98832	18.9
62.64819	1.4
65.00545	1.5
66.30490	1.5
68.68929	1.4
71.01379	22.1
71.02007	3.2
73.02946	3.5
77.52673	1.4
78.95903	7.5
83.01376	1.9
85.02949	3.9
87.00875	4.6
89.02439	19.7
95.01352	2.7
95.98147	1.5
97.02965	4.8
101.02438	18.6
113.02422	9.1
113.46343	1.5
115.03979	2.4
119.03479	5.1
125.02453	7.0
143.03494	3.8
152.99556	2.5
160.31363	1.6
161.04527	5.7
165.12817	1.8
171.10249	5.6
171.51675	1.5
179.05571	3.1
209.11740	14.0
227.12840	6.2
235.08211	11.7
245.13965	2.6
250.85135	1.8
253.09325	3.9
277.21686	13.7
279.23178	2.3
283.26385	58.0
284.26749	5.8
287.07712	3.6
305.08676	4.8
349.45001	1.7
397.13467	100.0
398.13654	8.0
415.14514	27.6
416.14972	3.1
428.41931	1.8
681.40375	7.6
741.43604	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	740.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16930	0.1
59.01363	0.6
61.98825	100.0
62.98531	0.2
72.46893	0.1
83.05033	0.2
85.02968	0.1
98.20700	0.4
101.02496	0.1
113.02470	0.2
116.41994	0.1
122.02473	4.6
123.02832	0.2
247.96774	0.1
269.04449	0.5
274.42090	0.1
321.89200	0.1
344.49500	0.1
499.57050	0.1
595.99713	0.1
678.49786	0.2
679.50214	0.5
680.50336	1.3
681.50720	0.2
740.48975	2.2
740.60992	0.2
741.49426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01373	5.7
61.98826	2.8
68.99584	0.4
69.03445	0.5
70.06589	0.5
70.06982	1.2
71.01379	5.3
72.99302	0.5
73.02948	1.1
76.02175	0.4
77.34503	0.3
83.01361	0.5
85.02940	1.6
87.00401	0.3
87.00892	1.5
89.02444	3.4
95.01377	0.7
96.96010	0.5
97.06609	0.8
98.20614	0.5
99.00893	0.4
101.02444	5.0
103.22150	0.4
109.06597	0.4
111.08154	1.8
112.20528	0.4
113.02423	2.4
119.03469	1.0
121.10235	0.6
137.09734	0.6
138.62990	0.3
140.83070	0.3
145.05048	0.9
151.67807	0.3
152.99550	0.4
161.04539	1.6
163.11230	0.6
165.11394	0.7
165.12827	13.9
166.13171	0.7
171.10219	2.6
174.70763	0.4
179.05626	0.6
183.13885	86.1
184.14224	4.0
195.13911	3.9
197.11836	0.4
209.11913	2.3
211.13411	3.4
212.13655	0.4
214.15083	0.3
219.97723	1.3
223.13379	3.0
227.10732	0.6
227.12866	9.0
228.13304	0.8
232.21521	0.4
235.08197	2.6
253.09244	5.0
275.20114	4.7
276.20309	0.5
279.23199	0.4
293.21213	20.4
294.21506	1.8
309.20605	0.7
409.75906	0.4
445.15436	0.4
445.20609	2.3
446.20862	0.4
463.21808	5.0
464.21957	0.6
721.42169	0.4
739.42670	100.0
740.43018	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85692	0.5
55.01875	1.0
57.03431	1.1
59.01378	6.6
61.34256	0.5
61.98835	3.4
64.26416	0.5
69.51656	0.5
70.85515	0.5
70.85839	1.3
71.01053	0.8
71.01384	6.7
71.05031	2.9
72.99286	0.7
73.02963	1.2
83.01388	0.6
83.05043	0.7
84.02224	0.5
85.02931	1.5
87.00856	1.6
89.02439	2.4
97.02925	2.8
97.06559	2.3
99.00882	12.2
100.01165	0.5
101.02430	3.7
109.06581	1.7
110.03751	0.6
113.02452	1.8
123.08146	1.4
125.09719	5.7
132.61423	0.5
135.08136	0.7
142.02673	1.1
153.12895	0.6
153.85838	0.6
161.04514	1.1
163.11272	7.1
171.10234	1.8
181.10826	0.8
181.12326	12.0
182.12589	0.6
197.11838	0.9
199.13370	11.5
200.13808	0.5
207.10248	23.4
208.10519	0.8
225.11299	36.5
226.11641	2.0
235.08189	1.9
243.12358	7.0
253.09290	2.7
275.20282	0.9
277.21701	60.5
278.22073	5.8
317.16360	0.5
367.75473	0.5
443.19040	0.7
461.20349	3.8
462.20923	0.7
479.21249	1.1
661.52380	0.5
683.48206	0.6
721.41742	4.3
722.41449	0.8
739.42682	100.0
740.43091	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03440	1.7
59.01376	4.3
61.98829	4.4
69.03459	0.8
70.39772	0.3
70.88441	0.8
71.01374	5.2
71.05011	3.5
73.02933	1.0
80.02657	0.3
81.03468	0.3
81.65934	0.3
83.01405	0.4
83.05023	0.9
85.02959	1.7
87.00858	1.4
88.56243	0.3
89.02421	1.5
90.03999	0.3
90.04570	0.3
95.05019	0.7
96.96008	3.3
97.02936	3.0
97.06586	2.9
99.00877	15.9
101.02436	3.0
109.06567	1.5
110.03727	0.7
111.08112	0.4
113.02458	1.6
119.03531	0.3
123.08156	2.6
125.09720	7.9
135.08179	0.8
135.16725	0.3
142.02679	1.3
145.05081	0.5
145.10228	0.4
151.07640	0.3
151.11192	0.4
153.12828	0.9
161.04547	0.7
161.09657	0.7
161.26474	0.3
163.11278	12.7
164.11618	0.7
171.10262	1.7
181.12326	18.9
182.12639	0.9
189.09102	0.4
197.11813	0.8
199.13393	6.3
201.11234	0.3
207.10242	19.0
208.10516	1.0
215.12750	0.6
225.11299	25.4
226.11588	1.3
235.08208	1.2
243.12344	11.4
243.14246	0.2
244.12628	0.5
253.09297	2.2
259.20377	0.3
277.21692	31.8
278.22025	3.1
281.24683	0.5
380.32858	0.3
397.13446	0.7
461.20285	2.8
479.21341	3.0
480.21936	0.4
577.37543	0.6
721.41498	0.5
739.42664	100.0
740.43024	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	739.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03441	0.4
59.01377	5.2
61.98828	4.1
69.03433	0.5
71.01377	5.6
71.05017	2.2
72.99289	0.4
73.02945	1.0
80.56699	0.4
85.02923	1.1
87.00864	1.1
89.02437	2.6
90.18623	0.4
93.03453	0.4
96.96010	5.8
97.02938	2.9
97.06582	1.1
98.62878	0.4
99.00874	11.1
101.02438	3.2
109.06602	1.1
110.03729	0.8
113.02437	1.4
123.08114	1.2
125.09729	4.7
127.11272	0.6
135.08205	0.5
142.02663	1.3
147.07367	0.4
153.12819	0.8
161.04518	1.1
163.10060	0.5
163.11299	5.8
171.10242	2.3
179.10809	0.6
181.10832	0.8
181.12338	14.0
182.12527	0.7
197.11751	1.0
199.13376	20.2
200.13692	1.1
207.10237	25.8
208.10579	1.9
211.13327	0.5
215.12909	0.6
225.11304	48.3
226.11609	2.6
235.08305	0.7
243.12363	12.3
244.12769	0.8
253.09198	2.3
268.12479	0.4
277.21701	29.2
278.22009	2.0
443.19226	0.8
461.20166	7.9
462.20364	0.8
479.21274	2.5
548.99524	0.5
721.41656	3.8
722.41547	0.7
739.42682	100.0
740.43011	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	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03431	1.1
59.01379	6.7
61.98809	1.6
69.03464	0.6
70.69524	0.7
70.69859	0.7
71.01379	5.6
71.05016	3.2
72.99265	0.4
73.02923	0.8
80.02669	0.4
83.01340	0.4
83.05035	0.7
85.02931	1.0
87.00843	0.6
89.02437	3.3
95.01378	0.5
95.05042	0.6
97.02937	3.9
97.06575	2.6
99.00877	18.3
101.02425	2.7
106.04229	0.4
109.06577	1.0
110.03722	0.7
113.02427	1.4
113.65070	0.3
119.03508	0.9
123.08169	1.7
125.09712	7.2
127.11294	0.5
135.08052	0.6
136.05302	0.5
142.02724	0.8
153.12833	0.4
155.14363	0.5
161.04512	0.5
163.11273	10.0
164.11588	0.4
165.12894	0.4
171.10202	1.7
179.05490	0.4
179.10803	0.6
181.12331	18.8
182.00592	0.3
182.12672	0.9
183.13882	1.2
192.88036	0.3
197.11763	1.2
199.13380	15.0
200.13722	0.9
207.10242	29.0
208.10612	1.4
215.12790	1.0
225.11307	43.8
226.11659	2.5
243.12350	25.1
244.12639	1.0
253.09296	1.9
277.21707	14.8
278.21985	1.9
281.24799	0.4
293.21298	0.5
297.02927	0.3
300.22556	0.3
317.16034	0.5
397.13266	0.5
461.20087	2.9
462.20276	0.6
479.21265	9.1
480.21515	1.1
499.77155	0.4
577.37451	0.4
721.42621	0.5
739.42664	100.0
740.43042	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	738.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17921	0.1
59.01382	0.8
60.00018	0.1
61.98829	100.0
62.98538	0.2
71.01395	0.7
71.18626	0.2
87.00909	0.2
89.02422	0.5
96.95993	0.1
97.03018	0.1
98.03335	0.1
101.02443	0.5
112.38770	0.1
113.02494	0.2
113.50393	0.1
113.95798	0.1
119.03519	0.1
171.10277	0.1
171.93958	0.1
185.51155	0.1
206.66251	0.1
209.11858	0.2
211.13376	0.6
225.11418	0.3
226.11510	0.1
227.12921	0.2
235.08359	0.2
253.09378	0.2
277.21716	0.5
278.22052	0.8
279.22568	0.4
280.23096	0.1
289.18326	0.1
290.18600	0.1
293.21252	0.2
309.20889	0.1
397.13840	0.3
398.13943	0.7
399.13992	1.0
400.14557	0.4
416.14807	0.2
417.15292	0.4
418.15588	0.2
424.31503	0.1
652.07068	0.1
726.89508	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	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03067	0.1
59.01374	0.8
61.98828	100.0
62.98533	0.2
63.23213	0.1
71.01392	0.5
72.01735	0.1
73.02940	0.1
76.52211	0.1
85.02957	0.2
87.00898	0.1
89.02417	0.4
90.02776	0.1
90.13834	0.1
94.91895	0.1
99.00920	0.1
101.02445	0.4
101.98813	0.1
113.02498	0.1
125.02438	0.1
161.04521	0.1
177.26749	0.1
179.05574	0.1
179.24800	0.1
199.13449	0.2
209.11812	1.1
211.13383	0.8
213.15004	0.1
227.12904	0.6
235.08237	0.2
246.49185	0.1
253.09375	0.4
275.20273	0.2
277.21805	0.5
278.22052	0.7
279.22498	0.3
280.22787	0.1
291.19748	0.1
293.21198	1.1
309.20786	0.2
397.13562	0.3
398.13654	0.5
399.14063	0.9
400.14130	0.4
416.01312	0.1
416.15057	0.2
417.15228	0.3
463.22153	0.1
739.42401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.8
61.98824	20.6
69.03455	3.2
71.01376	5.7
71.05003	2.3
78.95920	1.8
85.02934	1.8
89.02457	1.9
101.02425	3.2
113.02449	1.3
125.09654	1.6
151.11218	2.1
153.12827	2.4
155.27887	1.1
161.04572	1.3
161.09668	3.1
169.12317	1.5
179.10742	5.5
197.11809	85.2
198.12201	5.3
223.09650	2.1
241.10754	3.9
253.09248	3.8
277.21722	28.8
278.22073	2.9
477.19531	2.3
514.47583	1.1
575.36200	1.4
737.41089	100.0
738.41498	26.7
746.89563	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	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
57.03457	1.0
59.01378	6.2
61.98532	1.1
61.98828	15.0
67.46049	0.6
69.03452	5.5
71.01383	4.3
71.05022	1.0
71.38926	1.0
73.02946	1.4
76.50065	0.6
85.02943	1.4
87.00897	1.1
89.02447	2.2
90.68547	0.6
95.01392	0.8
97.02942	0.6
97.06605	0.9
101.02446	3.8
113.02452	1.7
123.08142	1.5
125.09708	1.9
137.09767	0.7
151.11308	3.2
161.04556	0.8
161.09717	4.8
169.12360	0.7
179.10767	7.0
180.11131	0.8
197.11821	41.4
197.89380	0.6
198.12158	1.8
235.08179	1.0
241.10829	1.8
253.09283	2.8
277.21698	54.3
278.22037	5.1
279.23236	1.0
356.65787	0.7
398.80060	0.7
459.18887	0.9
477.19714	0.8
539.37909	0.7
542.37366	0.7
553.80273	0.8
681.86700	0.7
737.41119	100.0
738.41333	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	737.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05539	0.7
55.01885	0.7
57.03447	65.9
58.03786	1.7
59.01378	100.0
61.98837	3.4
71.01379	11.3
71.58143	1.2
73.02937	4.5
81.03474	1.7
83.00981	0.7
83.01357	3.4
85.02944	5.9
87.00877	1.1
89.02451	2.6
95.01414	0.8
96.96023	2.9
97.02947	0.9
97.50890	0.7
99.00910	1.2
99.04520	20.6
99.05166	1.1
101.02442	23.9
106.99731	0.9
111.00893	1.0
113.02445	7.1
119.03533	2.5
125.02438	6.8
137.02435	1.4
143.03549	1.1
161.04549	2.9
179.05637	2.1
183.13887	0.8
213.18591	0.9
249.11230	1.0
254.05846	1.1
269.08292	0.9
305.08774	0.7
345.26389	0.8
345.30042	4.4
439.95309	0.8
471.33511	2.5
489.34348	25.1
490.34485	3.8
507.35327	6.4
508.35788	1.1
531.35333	11.3
532.35876	2.0
549.36450	13.3
550.37061	2.5
591.38000	2.0
603.39618	1.0
633.39001	2.4
634.38995	0.8
651.40198	2.6
652.39783	0.9
663.41479	1.0
693.40619	81.7
694.41010	22.4
694.52472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78376	0.5
59.01105	0.7
59.01379	7.8
61.98835	4.5
63.96240	1.4
67.65904	0.4
69.03442	0.8
71.01379	10.0
71.26405	0.8
73.02942	3.0
78.98593	7.7
79.95732	13.0
80.96513	80.6
81.03443	0.7
83.01401	0.7
85.02935	3.1
87.00882	3.3
89.02423	0.7
94.98087	16.7
95.01361	0.7
96.96011	7.0
97.02953	1.7
99.00906	0.8
101.02428	5.1
106.98107	3.6
113.02455	1.1
122.97578	4.8
125.02448	3.5
127.03999	0.9
134.97577	7.4
136.99149	1.6
143.03464	0.6
146.97433	0.6
148.99136	5.8
152.98618	6.5
161.04512	0.8
164.98615	16.3
165.12868	1.1
169.14377	0.5
183.13907	8.2
184.14212	0.8
206.99695	3.0
225.00735	27.4
226.01096	0.5
227.12784	1.0
309.20227	0.6
318.53836	0.5
509.17148	3.8
635.40759	0.6
693.31219	0.8
737.30554	100.0
738.30865	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	735.372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	4.7
60.10651	2.6
61.98829	100.0
63.66946	2.4
70.63232	2.5
71.85618	2.4
98.20759	4.2
107.99386	2.8
165.76105	2.5
171.10233	12.1
211.13377	17.1
212.13699	5.9
253.09557	3.7
309.20682	9.4
333.65643	2.7
627.69116	2.9
733.29425	2.6
735.37183	11.4
736.37518	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	735.4321
Annotation	Nonactin
Peak:m/z	Relative Intensity
57.03425	1.6
59.01376	8.3
59.77651	1.0
60.20749	0.9
61.07587	0.9
61.98821	2.2
70.44810	3.2
71.01375	4.6
73.02946	1.6
81.60347	1.1
83.05035	1.2
85.02906	1.4
87.00873	2.3
89.02421	2.6
99.96606	1.0
101.02403	3.6
102.16431	1.0
113.02474	2.0
121.10177	1.1
149.51129	1.1
159.11775	1.3
161.04497	1.2
161.22646	1.0
177.12830	15.7
178.13145	1.3
182.68922	1.0
195.13887	51.2
196.14240	3.3
221.11833	3.4
235.08215	1.8
239.12871	2.9
248.01926	1.3
253.09381	2.3
277.21701	63.2
278.22043	6.7
456.35800	1.6
457.20654	2.2
457.35837	1.6
475.21994	2.3
512.03888	1.2
691.63715	1.1
735.43237	100.0
736.43622	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	735.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.03442	2.5
59.01378	100.0
61.98826	7.6
69.03439	2.0
69.67567	0.9
71.01378	28.2
71.58643	1.0
72.99315	2.8
73.02938	8.0
75.00863	1.8
78.95885	1.4
81.03452	1.7
83.01382	6.6
85.02453	1.2
85.02948	14.6
86.00097	1.3
87.00864	2.7
88.98798	0.9
89.02438	5.8
95.01371	3.4
96.96008	8.9
97.02952	3.2
99.00896	4.5
101.02440	19.6
111.00873	3.5
112.01620	1.2
113.02438	16.5
115.04028	0.9
119.03510	1.6
124.01662	5.5
125.02443	13.9
129.01971	1.5
129.97829	1.0
143.03490	5.5
150.93738	0.8
159.03001	0.9
161.04547	4.2
165.04036	2.6
166.50632	0.8
167.03384	1.0
231.29959	0.8
244.92996	0.8
383.24332	2.9
401.25516	3.7
479.26398	1.6
491.26886	0.9
497.27380	1.1
509.27731	2.2
527.28534	29.4
528.28955	3.7
545.29620	71.0
546.30042	10.1
563.30688	26.0
564.31030	4.5
587.30725	16.2
588.30927	4.0
605.31744	26.3
606.31927	5.3
647.33026	1.5
691.38342	1.2
735.35858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88662	0.7
57.03435	2.3
59.01379	35.3
60.17729	0.6
61.98827	3.0
69.03459	1.2
71.01379	12.8
72.99306	47.9
73.02937	2.2
73.99706	0.6
75.00866	2.2
77.25031	0.8
82.95406	1.3
83.01370	1.9
85.02950	17.2
87.00877	1.1
89.02444	2.1
93.03493	0.7
95.01386	3.7
96.96004	10.6
97.02944	2.8
99.00885	4.0
101.02438	4.2
109.02923	1.0
111.00870	1.2
113.02448	37.5
114.02746	0.7
115.00341	2.7
123.00831	0.8
123.04564	1.0
125.02444	1.2
133.01457	1.6
133.02959	1.0
134.03735	1.1
135.04482	0.9
139.00435	0.7
147.04539	0.7
148.01591	0.7
151.00377	1.6
153.05649	0.6
155.03549	0.7
157.01360	0.9
160.01613	0.8
161.04555	1.0
163.07704	0.7
165.05554	1.0
166.41904	0.6
175.02449	1.0
175.03984	1.5
179.03477	1.2
179.05627	1.0
179.07108	1.0
211.03966	0.6
245.06503	0.9
255.02896	2.3
256.03723	5.0
269.04489	0.8
271.04648	0.8
283.02475	1.5
284.03247	73.5
285.03729	8.7
298.04776	1.1
299.05591	100.0
300.02838	0.9
300.05930	9.7
313.05862	1.1
325.14206	0.8
331.06699	21.6
332.07047	1.5
341.06635	1.2
393.06839	0.7
435.07782	15.0
436.08105	2.0
457.07813	3.1
458.07849	1.4
497.10806	1.2
539.21942	0.9
631.13000	24.3
631.23566	1.2
632.13336	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	733.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03440	1.8
59.01378	71.5
61.98829	100.0
67.28579	0.7
69.03476	1.0
71.01381	25.1
71.58463	1.0
71.58855	1.4
72.01693	0.7
72.99282	1.7
73.02946	6.8
75.00877	2.3
81.35155	0.7
82.95424	1.3
83.01373	3.6
85.02947	13.0
86.03294	1.1
87.00871	2.3
89.02434	9.3
93.03413	0.8
95.01379	2.9
96.96012	7.0
97.02929	2.0
99.00861	1.7
99.04427	0.8
101.02444	13.0
104.63023	0.9
113.02458	15.2
119.03481	3.0
124.01661	2.1
125.02449	5.8
129.01913	1.3
137.02368	1.3
140.50185	0.7
143.03485	3.2
149.02431	0.9
150.03218	1.9
161.04597	5.0
164.04855	0.9
165.04167	1.0
165.05527	2.2
175.03969	1.4
179.05569	1.5
187.73897	0.8
269.04547	2.2
287.53809	0.9
323.13025	1.2
381.22903	1.0
399.24069	1.0
435.15506	0.9
471.05130	1.0
507.25470	1.3
525.26929	14.5
526.27155	1.5
543.28076	42.1
544.28162	5.0
561.29211	12.0
562.29614	1.8
585.29059	8.9
586.29297	1.3
603.30127	11.5
604.30084	2.7
629.36066	1.2
647.36102	1.0
667.24780	1.2
689.40588	0.9
733.28955	1.1
736.05066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
56.49216	0.9
57.03447	2.2
59.01377	85.0
60.01692	0.9
61.98827	100.0
69.03448	1.2
69.27531	7.0
71.01379	28.9
72.99319	1.9
73.02948	6.9
75.00880	2.2
82.46089	0.8
83.01408	4.7
85.02942	13.7
87.00880	2.7
89.02440	11.8
93.32266	0.9
95.01374	4.8
96.95995	8.3
97.02985	1.2
99.00873	2.8
101.02447	14.5
113.02450	20.7
119.03484	5.2
124.01654	3.0
125.02481	5.6
131.03494	0.9
134.03824	1.0
143.03444	4.6
146.12296	0.8
149.02380	1.1
150.03218	2.0
153.01952	1.3
160.01546	1.2
161.04597	4.9
165.04124	1.5
165.05562	2.2
179.05621	1.2
269.04532	2.7
323.12845	2.7
338.78445	1.2
381.22989	2.4
399.23721	1.4
464.85214	1.0
525.27081	20.9
526.27460	3.4
543.28107	50.6
544.28204	7.7
561.29059	14.4
562.29150	2.7
585.29102	10.7
586.29291	2.5
603.30145	16.5
604.30603	2.9
615.01935	1.0
629.35345	1.3
667.26038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.4
59.01370	1.3
61.98823	1.2
67.43418	0.3
71.01374	0.4
71.34314	0.5
73.02957	0.3
79.61479	0.3
85.02940	0.5
91.78263	0.2
93.03429	0.3
96.96008	0.8
100.19372	0.3
101.02428	0.4
107.05021	0.3
108.02168	1.0
109.02941	1.3
109.06593	0.4
113.02428	0.3
117.03428	0.3
121.02950	2.5
123.04481	0.4
133.02953	5.3
135.04561	0.5
137.02383	0.3
141.08693	0.3
145.02989	1.3
146.03711	0.5
171.10295	0.6
177.09167	1.2
185.06021	0.5
189.09236	1.7
197.06104	0.5
201.09161	1.3
209.05949	0.4
213.09265	0.3
223.07608	0.7
224.08414	0.5
224.38440	0.3
225.05679	0.4
235.07516	0.6
237.05452	0.3
237.09889	0.3
239.07108	1.0
245.11748	0.3
252.04248	0.6
253.04984	2.5
254.05811	3.0
264.11319	0.5
265.04968	1.9
267.06577	6.3
268.07318	2.8
277.05127	0.3
279.06625	5.0
279.13828	0.5
280.07300	2.1
281.11734	0.5
305.11877	0.4
307.09711	0.6
308.10486	2.7
321.11426	0.9
322.12051	11.2
323.12842	100.0
324.13171	12.4
467.17233	1.7
485.18124	3.1
486.18246	0.4
488.52991	0.3
527.19208	17.8
528.19580	3.0
609.83813	0.3
701.52875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65725	0.1
59.01379	0.2
59.80415	0.1
61.98827	100.0
62.98539	0.2
69.33731	0.7
72.90976	0.1
95.66186	0.1
103.71391	0.1
104.71930	0.1
171.10265	0.8
172.10519	0.5
173.10768	0.2
277.21741	0.5
278.22049	0.7
279.22385	0.4
546.89752	0.1
731.36816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11784	0.2
57.03431	0.3
59.01376	8.3
61.98826	1.6
65.03958	1.0
70.27742	0.2
71.01376	4.2
71.57797	0.2
72.01759	0.2
72.99298	0.5
73.02947	1.1
75.00870	0.2
83.01388	0.8
85.02938	1.1
87.00882	0.4
88.98803	0.5
89.02438	3.4
89.02941	0.3
93.03453	58.0
94.03795	1.5
95.01366	0.4
96.96019	2.1
99.04512	0.5
101.02428	2.8
113.02438	2.1
115.00349	0.2
116.05055	0.2
119.03482	2.1
123.04508	0.4
125.02438	0.3
131.03499	0.2
135.02972	0.3
137.02437	100.0
138.02769	3.8
138.45262	0.2
142.02859	0.2
143.03476	0.5
149.04510	0.3
150.03130	0.2
153.05591	0.4
161.04562	1.1
164.04810	0.3
165.05618	0.3
167.03499	0.2
175.03926	0.3
179.05602	2.5
179.07039	0.3
190.02698	0.5
195.06635	0.2
205.05081	0.5
207.13878	0.7
209.11797	1.9
210.05611	0.5
223.06172	0.2
225.15080	0.2
226.59758	0.2
233.11794	0.3
251.12885	0.6
265.07117	0.3
269.13913	3.3
292.28540	0.2
293.14047	0.3
311.15125	0.4
317.14087	0.2
319.10880	0.2
322.12088	0.5
344.27713	0.2
353.16135	0.5
389.18192	0.2
413.18079	1.6
431.19318	0.8
449.20273	0.7
491.21356	0.4
527.19232	0.7
570.19849	0.3
593.24487	6.0
594.24750	1.1
614.18591	0.9
731.27631	2.8
732.28168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22770	0.1
56.43853	0.1
59.01382	0.2
61.98827	100.0
62.98544	0.2
69.56602	0.1
71.54943	0.2
78.54388	0.1
90.80897	0.1
99.83081	0.1
129.59743	0.1
147.60474	0.1
148.35060	0.1
164.29843	0.1
171.10257	1.2
172.10620	0.7
173.10805	0.2
190.92125	0.1
277.21744	0.3
278.22003	0.4
279.22357	0.2
594.84851	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	730.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
59.01377	100.0
60.01716	1.2
69.03445	0.4
71.01377	8.0
71.55550	0.5
73.02940	9.4
73.52543	0.3
83.01375	2.2
84.87571	0.3
85.02962	1.9
85.07252	0.4
89.02440	5.0
96.96008	2.3
101.02439	10.4
102.31846	0.4
113.02443	6.4
119.03499	1.7
125.02470	0.8
127.23662	0.3
131.03494	1.0
138.55295	0.4
143.03526	1.1
149.04547	1.9
161.04578	2.8
179.05553	0.7
203.05759	0.6
214.57437	0.4
221.06718	0.9
221.48488	0.4
248.70938	0.3
253.65182	0.4
261.13553	0.7
303.14529	2.3
327.32852	0.4
363.08670	0.4
404.04437	0.4
573.92548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07119	0.1
57.03460	0.2
59.01377	3.6
61.40158	0.1
61.98830	100.0
62.98518	0.1
64.63480	0.1
69.59077	0.1
71.01385	1.8
73.02944	0.7
75.00868	0.1
83.01393	0.3
85.02967	0.8
87.00880	0.2
89.02440	1.2
95.01409	0.2
96.96001	2.1
101.02450	0.9
113.02447	1.0
118.73991	0.1
119.03517	0.3
125.02503	0.3
125.09876	0.1
130.94286	0.2
133.94060	0.1
137.02441	0.3
149.02518	0.2
153.05716	0.1
154.88506	0.1
161.04552	0.4
165.05617	0.2
179.05591	0.3
190.02806	0.2
209.45586	0.1
229.47832	0.2
241.22096	0.1
299.05713	0.2
322.03445	0.1
482.31781	0.2
534.14380	0.1
627.33319	0.7
645.35205	0.6
667.39386	0.5
671.65857	0.1
687.38074	0.5
730.39441	0.6
731.26349	0.2
731.39319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.9
70.55725	0.5
70.56036	0.3
70.77681	0.2
71.01372	1.4
73.02934	0.3
85.02971	0.2
87.00874	0.4
87.85119	0.2
89.02458	1.1
90.50142	0.2
94.43884	0.2
95.01411	0.2
97.96077	0.2
101.02438	1.3
113.02442	0.5
125.09698	0.7
127.11277	1.3
129.30600	0.2
145.03523	0.2
153.09166	0.7
161.04562	0.9
171.10258	100.0
172.10594	5.0
179.05507	0.3
235.08191	1.7
253.09267	4.6
254.09818	0.2
264.05090	0.2
277.21701	51.0
278.22046	4.5
314.37415	0.3
394.06793	0.2
407.19281	3.0
499.07990	0.3
513.30334	0.5
727.43878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
59.01377	17.3
59.38321	0.2
62.51702	0.3
70.55945	0.9
71.01370	1.7
73.02929	0.5
75.33721	0.3
85.02943	0.7
87.00889	0.5
89.02454	1.3
96.44216	0.3
97.02979	0.3
98.20558	0.3
101.02428	2.0
113.02441	0.8
119.03481	0.4
125.09750	0.6
127.11295	1.4
130.41440	0.3
145.05013	0.4
153.09258	0.5
161.04564	0.9
171.10258	86.7
172.10583	4.6
179.05606	0.4
203.46298	0.2
233.22658	0.5
235.08180	3.7
253.09265	7.2
259.20782	0.5
277.21692	100.0
278.22055	10.5
397.47217	0.4
407.19330	1.3
415.03659	0.3
513.30548	1.4
514.31396	0.5
727.45142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11588	0.3
59.01377	0.6
61.56446	0.3
71.01376	10.2
72.99295	1.9
77.03951	0.5
79.01917	0.6
83.01373	0.6
87.00852	0.3
89.02433	1.9
93.97856	0.3
97.02986	0.4
98.20726	0.7
100.38091	0.3
105.03485	0.4
107.01381	0.4
109.02928	1.8
115.00365	30.0
116.00684	0.6
119.05021	24.5
120.05365	0.9
121.02930	1.4
125.02444	0.8
133.01419	100.0
133.02861	8.6
134.01750	2.3
135.04514	1.2
137.02431	0.4
145.02969	0.4
147.04510	1.0
149.02399	0.7
151.00398	0.3
151.03976	0.4
158.45712	0.3
161.02444	1.2
163.00351	1.4
163.03995	31.1
164.01073	0.3
164.04327	1.1
165.01878	1.3
173.02400	0.5
175.04005	2.3
176.06308	0.3
177.01907	1.0
179.03453	0.4
187.03960	0.3
191.03490	1.9
193.01344	1.1
199.03990	1.2
201.01927	1.2
211.03989	0.4
213.05603	0.8
215.03397	0.5
225.05556	0.7
227.03485	0.5
237.05586	0.3
240.04488	0.6
241.05006	0.6
242.02184	0.3
253.05028	1.2
255.03043	0.6
255.06453	0.8
256.03708	0.5
257.04517	0.6
269.04550	0.7
279.05090	5.8
280.05374	0.5
281.04572	0.4
284.03226	6.8
285.03995	5.9
286.04492	0.5
297.04001	13.4
298.04749	7.9
299.05563	16.0
300.05887	1.3
309.04080	1.0
311.05685	2.2
324.02817	0.6
325.03476	0.5
327.05048	80.1
328.05405	7.8
339.05045	3.2
341.06482	0.9
344.13309	0.3
357.06100	20.7
358.06381	2.2
365.06274	0.4
369.06073	2.3
393.06149	0.8
411.07013	0.5
447.09259	82.0
448.09619	9.9
509.43478	0.4
622.29993	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63329	0.9
69.41694	3.4
69.42126	4.0
71.01379	8.0
72.99310	0.9
89.02451	1.0
115.00356	17.7
119.05031	19.2
133.01424	62.3
133.02873	6.2
134.01929	0.9
163.00398	1.6
163.04001	37.8
164.04321	2.5
175.03963	1.1
199.04008	1.8
201.01848	1.7
255.02829	0.9
269.04538	1.1
279.05075	5.3
280.05396	1.0
284.03229	5.5
285.04037	11.5
286.04144	1.1
297.04022	15.6
298.04813	13.2
299.05450	7.3
311.05536	3.4
325.03384	1.3
327.05063	41.4
327.08963	2.1
328.05295	5.0
339.04944	4.1
357.06091	34.8
358.06479	4.3
358.37872	1.0
369.05737	1.2
399.07062	1.0
400.71436	0.8
404.53763	1.0
411.06934	1.0
429.08350	2.5
447.09259	100.0
448.09552	13.8
570.55798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
71.01385	0.7
73.43608	0.5
84.04560	0.6
91.05516	1.9
95.47168	0.4
96.96015	7.6
98.19867	1.0
98.95594	0.8
101.02438	0.5
102.05609	53.6
103.05952	1.5
103.41366	0.4
110.23408	0.5
114.55123	0.4
117.03437	0.6
128.03540	58.0
129.03882	1.8
135.04515	2.6
142.04085	0.5
146.04596	100.0
147.04950	2.9
147.65282	0.5
163.04036	0.5
164.07181	2.0
196.09804	0.5
206.08226	3.4
220.09860	0.8
240.22499	0.5
246.07721	3.0
247.08073	0.4
264.08752	92.7
265.09103	6.9
329.14035	0.6
353.06784	0.5
511.71838	0.5
681.64258	0.5
691.77686	0.6
725.20148	2.4
747.35114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4477
Annotation	Trungapeptin C
Peak:m/z	Relative Intensity
55.01888	0.4
57.03451	0.7
59.01381	5.3
71.01380	5.1
73.02952	1.1
76.62518	0.4
77.40240	0.4
77.71780	0.4
79.74839	0.4
82.20459	0.4
83.01392	0.7
83.38019	0.4
85.02950	1.5
85.14267	0.4
87.00873	1.5
89.02436	2.7
97.02924	0.5
101.02441	3.8
113.02434	2.2
119.03507	0.6
123.43343	0.5
127.89680	0.5
139.11244	0.5
145.05019	0.7
161.04562	1.4
165.12813	1.2
167.14397	40.4
168.14734	2.7
179.05649	0.6
183.13904	0.9
185.15488	0.6
211.11246	0.8
211.13374	55.1
212.13733	3.3
229.14418	62.3
230.14848	2.8
235.08151	0.9
253.09349	2.7
277.21683	33.6
278.22058	3.6
447.22406	2.7
465.23364	8.1
466.23553	0.9
583.15735	0.4
592.54700	0.6
725.44714	100.0
726.45044	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	723.4317
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
51.39135	0.5
55.01876	0.5
57.03432	0.9
57.38519	0.5
59.01379	8.1
62.48354	0.5
62.48676	0.5
69.89268	1.7
69.89675	1.1
71.01381	5.1
72.99297	0.7
73.02938	1.9
73.46382	0.5
75.28013	0.5
76.30865	0.5
79.30795	0.5
83.01376	0.6
85.02946	1.8
87.00882	1.2
89.02415	3.5
91.60532	0.5
98.19878	0.6
101.02439	4.8
111.08119	1.5
113.02435	2.4
119.03499	0.9
133.05061	0.7
143.03476	0.6
144.39259	0.5
145.05032	0.7
153.63762	0.6
154.45259	0.5
161.04523	2.0
165.12836	12.5
166.13164	0.9
183.13893	100.0
184.14232	5.3
209.11781	2.1
227.12868	5.6
228.13074	0.7
235.08226	2.7
253.09279	4.6
265.93643	0.6
277.21692	45.0
278.22070	5.2
369.22339	0.5
419.23019	0.9
435.10956	0.5
445.20569	1.6
463.21780	4.7
723.43158	83.4
724.43579	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	721.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39877	1.2
50.44550	1.0
54.55787	0.9
55.01864	2.1
56.80442	1.2
58.02974	3.5
58.48067	0.9
59.01376	100.0
61.79464	1.1
63.80960	1.0
69.03452	1.5
70.02978	3.4
71.01006	2.0
71.01384	37.3
72.99300	1.9
73.02940	16.3
74.02470	18.6
75.47805	1.0
77.03981	1.2
83.01382	6.1
85.02947	14.5
87.00862	4.0
89.02446	12.9
95.01390	4.5
97.02940	2.7
98.02464	3.3
99.00871	2.5
101.02439	21.4
113.02440	33.0
114.02745	1.0
116.03515	4.4
116.05059	7.2
117.03415	3.1
119.03517	3.2
124.01630	2.7
125.02396	3.8
126.86036	1.1
130.26891	1.0
131.03513	1.4
142.06613	2.2
143.03470	3.8
149.04625	1.4
152.54135	1.1
159.09230	1.3
161.04510	9.8
161.26155	1.1
163.03975	1.6
179.05502	2.4
190.11307	1.2
199.42599	1.0
201.10245	1.6
203.08261	16.6
239.07077	1.3
245.09286	51.8
246.09575	3.4
269.04605	1.4
281.04529	2.5
282.05063	1.6
283.06061	17.9
284.06461	2.2
285.03876	2.2
311.05566	32.6
312.05899	3.5
323.05499	2.1
341.06543	5.5
369.18945	2.5
431.09772	48.8
432.10226	7.4
495.22198	2.0
513.16272	2.1
513.23364	23.7
514.23712	4.1
531.24445	49.7
532.24725	9.5
549.25806	10.9
550.25580	2.1
573.25452	17.7
574.25549	3.9
591.26379	18.2
592.26855	4.5
633.27826	2.2
684.92297	1.3
695.60529	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	719.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56396	0.9
55.12698	0.9
57.91107	0.8
59.01371	5.5
60.17376	1.0
70.24821	3.7
70.25177	1.1
70.29471	0.9
71.01385	5.3
85.02974	1.0
89.02435	9.2
101.02431	2.5
107.16020	1.0
113.02445	2.7
114.01075	1.4
116.64903	1.0
118.14108	1.0
119.03506	3.0
131.81911	1.0
149.04556	1.5
161.04546	1.1
161.71217	1.0
179.05626	2.7
215.03267	4.2
341.10855	21.4
377.08530	100.0
378.08847	7.9
595.95581	1.1
607.37408	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	719.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	85.8
65.80711	23.2
84.35333	28.5
88.91128	25.2
93.12742	23.0
98.20729	50.1
105.87189	23.6
127.36647	24.3
152.99586	37.3
171.10245	51.5
263.78210	23.6
293.21265	50.1
478.49875	26.4
542.67682	26.9
553.19489	28.6
566.55817	32.6
629.20789	100.0
719.38239	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	721.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04087	0.9
58.02976	5.7
59.01373	4.0
66.92365	0.8
67.59267	0.9
69.31415	7.4
70.02980	6.2
71.01359	2.1
71.48263	0.8
72.00899	2.1
72.04529	1.4
74.02471	35.7
77.03970	0.9
93.03455	1.2
96.96022	1.8
98.02458	6.9
101.02419	1.1
113.02443	1.0
116.03549	9.5
116.05054	13.0
117.03480	5.7
118.48390	0.8
121.02977	1.3
130.06615	1.8
135.04468	1.5
140.20984	0.8
142.06601	2.2
149.02400	1.4
159.04596	1.1
159.09282	2.2
161.02429	3.8
163.03961	2.7
177.08319	0.9
201.10312	3.6
203.08243	34.9
204.08601	2.1
239.07126	1.7
245.09285	100.0
246.09650	8.5
268.03842	1.2
269.04480	2.0
281.04526	2.1
282.05298	2.0
283.06104	39.8
284.06329	4.1
285.04001	7.6
293.04468	1.2
295.06030	1.3
311.05594	68.9
312.05963	6.2
323.05511	3.4
341.06625	10.3
342.07242	1.3
345.79007	0.9
350.68518	0.9
353.06433	1.1
430.45987	0.9
431.09793	100.0
432.10178	11.9
432.15689	1.5
489.54410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58942	0.2
59.01379	0.6
61.98827	100.0
71.01369	0.4
71.55336	0.4
82.80583	0.2
89.02428	0.5
115.71974	0.3
135.15659	0.2
138.72289	0.2
162.05603	0.9
162.18481	0.3
175.06520	0.3
253.33151	0.3
255.23294	0.8
256.23645	0.6
257.23895	0.3
300.15979	0.4
314.30661	0.2
325.13113	0.3
328.19226	0.5
344.18918	0.3
397.13736	0.4
398.13855	0.6
399.14023	1.1
400.14380	0.6
415.03137	0.3
420.24088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
59.91746	0.9
61.98828	8.0
71.39635	1.6
75.39535	0.9
102.39606	1.1
115.19366	0.9
123.85931	0.9
126.99961	1.0
162.05598	2.9
234.93929	1.0
270.27075	1.0
453.11343	1.5
457.18735	2.7
459.16727	1.4
481.11871	3.6
495.16571	1.5
496.13712	14.7
497.14438	10.5
498.14975	2.9
510.15161	5.2
511.16022	8.6
512.16937	4.5
513.17908	5.3
530.14850	1.6
537.14880	1.2
544.15686	5.2
545.16016	1.8
551.15649	1.4
567.18817	11.3
568.19159	3.6
570.17566	2.5
571.18298	11.2
572.18628	2.9
583.18304	1.5
589.19269	2.5
597.20044	3.4
598.20392	3.1
599.21405	41.0
600.21686	9.9
602.17010	1.4
630.19611	2.6
631.20209	2.3
657.21973	15.8
658.22089	5.9
717.24078	91.8
718.24268	28.8
718.36487	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	715.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
59.01384	7.0
61.98788	1.5
71.01385	10.4
71.17904	3.0
72.99311	3.3
75.00869	10.8
81.45802	1.4
85.02949	11.3
87.00875	4.2
87.81971	1.4
89.02446	2.4
94.03278	1.4
95.01412	2.5
99.00853	7.2
113.02427	9.8
115.00344	2.7
165.12860	6.6
183.13885	34.7
184.14214	1.8
209.11952	1.8
255.23282	62.1
256.23608	5.1
286.96802	1.9
294.28156	1.3
314.19479	1.4
344.09753	1.5
539.39624	1.5
653.43134	3.2
697.41919	1.5
715.42706	100.0
716.43109	24.2
716.55017	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	715.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	74.0
66.69263	1.9
71.01382	37.4
71.58299	2.3
71.58683	2.1
72.99299	2.5
73.02930	6.8
83.01381	5.7
85.02953	11.7
89.02441	35.2
91.83618	1.7
96.96003	4.3
99.04495	8.5
101.02438	24.4
113.02451	15.7
119.03497	10.5
121.05080	11.0
131.03502	2.5
133.01390	2.7
143.03531	2.3
161.04550	5.1
165.48457	1.8
175.08014	1.7
179.05511	4.1
189.12814	4.3
207.13893	5.8
209.11804	33.1
219.90149	1.7
233.44453	1.8
251.12718	2.9
255.06639	2.7
265.09308	3.0
267.08881	2.0
267.66391	1.6
269.13815	2.9
278.58429	1.7
283.10370	8.1
325.11234	4.0
327.05099	4.4
344.30728	2.0
389.18066	4.7
397.72977	2.1
431.18948	3.1
447.09140	5.2
482.41812	2.0
517.22766	5.3
535.15668	3.2
535.23907	64.7
536.24261	7.3
648.27173	2.3
715.30292	100.0
716.30566	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	712.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00958	0.7
70.32887	1.7
102.05594	8.3
109.02969	1.0
115.74280	0.7
121.02963	1.3
128.03531	8.9
133.02933	6.6
135.04526	1.5
140.97557	0.8
146.04590	17.2
149.02399	0.9
161.02423	0.8
163.04018	1.0
165.01942	1.4
175.04001	2.1
177.01807	0.8
180.29810	0.7
189.73843	0.8
191.03371	0.8
193.01437	0.9
201.02060	0.8
223.60120	0.8
225.05721	0.8
227.03229	0.7
253.05147	1.0
255.03024	1.2
264.08759	13.5
265.09076	0.8
269.04556	0.8
284.03183	4.6
285.03998	10.3
297.03995	16.9
298.04706	12.4
299.05548	8.7
311.05704	3.9
319.20953	0.7
325.03745	1.0
327.05048	46.6
328.05392	2.4
339.05011	5.7
357.06116	37.9
358.06485	3.1
365.06619	1.0
369.06088	1.3
399.06857	0.8
411.07245	0.8
429.08234	4.1
447.09271	100.0
448.09540	13.1
594.97870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.7
60.03554	0.3
63.72702	0.3
70.02970	0.9
70.27071	0.3
70.81902	0.3
70.87086	0.4
70.87415	0.6
71.00996	0.6
71.01369	6.2
72.00894	0.5
79.05798	0.3
88.04034	74.7
89.04375	1.0
91.05506	2.4
96.96004	0.7
114.01963	5.0
115.00366	15.0
116.00764	0.4
117.03456	0.4
132.03017	100.0
133.03380	2.3
134.06087	0.8
135.04514	4.6
206.08194	1.9
232.06168	0.9
250.07175	96.3
251.07506	6.6
285.61526	0.3
309.81070	0.3
343.04437	0.3
394.27728	0.3
400.52643	0.4
463.08893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07516	0.4
53.28397	0.4
55.01860	1.0
57.03434	0.8
57.83218	0.4
58.00584	1.0
59.01375	31.0
61.98815	0.6
64.75778	0.5
69.03450	1.8
70.92712	1.3
71.01376	24.5
72.99300	2.5
73.02937	4.8
73.28931	0.5
75.00867	0.6
78.63109	0.4
81.03442	1.4
83.01398	2.5
85.02948	5.2
87.00871	5.5
89.02437	25.7
91.04001	0.6
94.83525	0.5
95.01389	1.9
97.02946	3.8
99.00860	2.0
101.02441	18.9
102.02810	0.7
111.00875	0.6
111.04517	0.8
113.02445	9.7
119.03482	6.9
125.02428	9.3
131.03511	0.9
131.90569	0.5
133.05011	0.8
143.03479	3.1
149.04602	0.8
161.04527	4.3
167.03490	0.5
170.53621	0.6
179.05609	4.2
194.36693	0.5
221.06616	2.0
235.08205	10.9
236.08504	0.7
245.06636	0.6
253.09218	1.8
255.23267	68.4
256.23596	5.9
263.07666	1.0
277.09314	0.9
287.07632	3.1
305.08890	3.6
323.09763	1.4
361.83618	0.5
397.13458	100.0
398.13864	8.2
415.14529	29.3
416.14584	3.0
501.60065	0.5
598.71490	0.5
653.02814	0.6
653.37421	7.4
654.37677	1.2
716.36157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15068	1.6
55.01874	3.1
57.03445	3.4
58.00584	3.1
59.01376	99.2
60.01738	1.7
61.98826	10.8
65.23484	1.6
65.32913	1.5
69.03459	2.5
69.34368	6.5
69.34795	7.7
71.01378	53.6
72.01743	3.4
72.99307	6.8
73.02947	19.3
75.00862	22.7
78.44957	1.7
83.01349	8.6
85.02949	26.4
86.00123	3.3
87.00869	5.3
89.02445	17.5
93.03456	1.7
95.01384	6.0
96.96008	24.2
97.02944	3.0
99.00880	5.4
101.02435	42.8
111.00906	4.2
113.02441	28.6
117.01894	1.7
119.03505	4.5
123.01022	1.5
123.04523	5.4
124.01672	3.9
125.02434	8.4
135.02988	35.3
137.02460	3.5
143.03458	5.7
153.05565	5.5
161.04532	7.9
165.04039	4.5
176.33813	1.8
178.96146	2.1
179.05550	2.1
233.15279	2.2
274.22733	1.9
278.13208	1.8
301.27423	2.6
306.03027	1.7
315.10947	1.9
445.31354	3.8
463.32788	8.1
489.34341	2.0
507.34668	2.2
571.34454	1.9
607.36945	100.0
608.37396	14.8
625.37921	72.8
626.38293	11.6
651.39325	12.8
667.39111	38.8
668.39545	6.3
669.40820	8.1
711.39081	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	711.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.1
57.03450	5.1
58.00588	1.2
59.01378	69.7
60.01722	0.5
61.98828	3.2
66.99701	0.3
68.99812	0.8
69.03455	2.1
69.79166	1.8
71.01379	42.0
72.01720	0.8
72.61775	0.3
72.99306	3.8
73.02946	11.8
75.00868	3.3
77.99014	0.3
81.03468	1.3
83.01382	8.5
85.02949	21.0
85.06613	0.6
86.00131	0.8
86.03290	0.8
87.00872	5.3
89.02441	11.7
93.03447	0.6
93.54604	0.4
95.01387	5.2
96.95987	1.7
97.02960	2.9
99.00875	5.2
99.20645	0.3
101.02440	25.6
102.02767	0.5
108.02159	0.6
111.00883	4.1
112.01675	1.0
113.02444	19.7
114.02781	0.9
115.00346	0.3
115.03992	0.4
119.03510	3.3
124.01672	1.1
125.02456	6.3
129.01974	0.9
131.03551	0.5
134.03734	1.3
135.00841	0.4
137.02451	1.9
141.01953	1.0
143.03493	2.7
149.02390	0.4
149.06059	0.4
151.44852	0.3
159.02959	2.2
161.04561	3.2
168.50571	0.4
178.02684	0.8
193.05075	2.0
211.16916	0.6
213.18605	2.5
243.06555	1.7
259.90515	0.3
266.01984	0.4
269.04483	0.4
281.72714	0.4
299.25970	1.7
300.26242	0.3
327.28503	0.4
345.30096	6.2
390.60223	0.4
436.93427	0.4
489.34323	5.1
490.34515	0.6
507.35312	11.7
508.35687	1.4
577.35516	0.6
603.37555	0.5
607.36737	1.4
615.37488	0.6
616.37848	0.4
621.38672	0.5
625.38098	1.1
638.31738	0.4
651.39551	100.0
652.39862	18.1
667.39130	2.2
668.39124	0.6
669.40619	60.4
670.40942	12.7
711.41815	21.6
711.54718	0.6
712.42291	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	710.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	10.5
59.01361	0.8
61.98811	0.5
70.02973	5.4
71.01379	0.9
72.00894	3.7
75.62015	0.4
83.62965	0.4
88.04027	1.0
89.02442	0.5
91.05519	3.4
96.96011	1.3
98.04578	0.4
102.05585	0.8
115.00411	0.8
132.03018	1.3
133.01419	0.7
135.04512	0.5
146.04558	1.3
147.04510	22.7
148.04823	0.8
151.00462	0.4
156.86250	0.4
162.09261	0.5
163.03943	0.5
164.07147	52.8
165.01913	4.2
165.07465	2.0
170.56441	0.3
175.02449	0.7
175.03868	0.5
201.51753	0.4
206.08197	100.0
207.08534	5.6
229.09317	0.4
250.07117	2.3
264.08746	0.7
301.07071	2.9
459.15295	0.8
463.12534	2.2
505.13501	0.6
545.33215	0.4
579.56085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32663	0.2
53.40281	0.2
54.37334	0.2
55.01879	0.4
57.03439	0.6
59.01376	100.0
59.45489	0.2
60.01711	1.0
65.00334	0.2
70.22307	0.6
71.01379	8.6
72.99308	0.2
73.02942	3.2
75.00874	0.2
83.01376	1.9
85.02949	5.0
87.00887	0.3
89.02458	0.8
93.03458	0.2
95.01406	0.7
97.02975	0.2
99.00875	1.5
101.02435	7.3
107.01375	0.4
107.05017	0.2
109.03013	0.3
113.02445	3.9
116.92834	1.2
121.02982	0.4
125.02480	0.4
137.02444	0.6
143.03468	0.5
151.00392	0.9
159.03014	0.6
161.04543	4.4
165.01920	10.9
166.02295	0.6
189.17308	0.2
269.10281	10.3
270.10687	0.8
301.07156	7.8
302.07507	0.5
311.11374	5.8
312.11728	0.6
394.63861	0.2
396.69641	0.2
452.02994	0.2
463.12491	5.6
464.12985	0.7
505.13528	2.7
506.14166	0.4
711.26758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.7
57.03444	3.4
58.00593	2.8
59.01376	82.6
60.01699	1.0
61.98830	0.8
67.01875	0.3
67.26478	0.2
68.99801	0.3
69.03458	1.8
71.01378	52.7
72.01723	0.7
72.99305	3.9
73.02943	11.5
74.03276	0.3
75.00861	1.2
78.71828	0.2
81.03453	1.1
83.01380	10.3
84.02178	0.5
85.02945	23.7
86.00108	0.8
86.03262	0.3
87.00871	5.4
89.02440	25.5
90.02768	0.4
93.07090	1.8
95.01386	5.3
96.96026	0.7
97.02943	3.4
98.19837	0.5
99.00878	5.0
99.04552	0.3
101.02435	35.1
101.59766	0.3
102.02776	0.5
105.27648	0.2
109.02949	1.2
109.06599	0.3
111.00869	3.3
111.04502	0.3
111.08163	1.0
112.01670	1.2
113.02443	23.8
114.02775	0.8
115.04015	0.4
119.03496	9.0
123.08146	0.3
124.01655	1.0
125.02445	5.6
129.01926	1.3
131.03488	1.0
135.08136	0.5
137.02432	0.3
141.01921	0.4
143.03488	4.1
147.03020	0.4
149.04491	0.3
153.01912	2.1
153.09247	0.4
159.02998	2.4
161.04533	5.7
162.04913	0.3
179.05582	2.5
211.17035	0.9
213.18587	4.0
214.19003	0.2
215.10298	0.2
225.18776	0.3
295.22754	0.4
304.91101	0.3
313.24265	0.3
313.27884	0.2
315.07251	0.4
343.28519	1.1
357.22656	1.4
375.23837	2.6
469.31735	0.9
487.25656	0.5
487.32782	9.2
488.33047	1.0
505.33743	9.7
506.34125	1.7
517.30182	2.0
518.30469	0.3
529.33746	0.8
583.34119	0.3
601.35718	0.5
605.35425	0.7
607.26855	0.3
613.35480	0.5
623.36292	0.6
637.31311	0.6
649.37958	100.0
650.38306	19.4
665.34100	2.4
667.39038	73.2
668.27618	0.4
668.39337	13.5
709.40076	24.1
710.40338	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	709.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28282	6.6
59.01373	61.3
61.98832	27.4
68.97571	7.3
71.01373	20.5
71.56007	6.8
71.56437	13.6
74.60472	6.9
87.00846	10.7
96.96002	17.2
101.02414	10.5
102.99984	7.3
125.01495	7.0
131.28494	7.6
142.62115	7.6
165.12735	8.4
170.61746	7.1
183.13933	43.3
199.09718	26.1
207.10222	14.5
209.11806	22.7
211.13365	100.0
225.11255	11.4
227.13025	8.8
235.08148	9.6
253.09271	15.6
254.68433	7.0
279.23276	24.7
280.23721	9.2
450.53763	8.1
463.21741	12.9
562.58038	9.6
637.32672	12.6
673.34479	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	709.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23048	7.2
59.01377	75.1
61.98812	24.6
64.30737	9.2
71.01382	21.7
71.57210	10.9
78.95871	13.0
87.00864	11.0
95.24489	8.6
96.95989	24.9
98.38785	7.8
110.06100	10.5
141.37291	9.3
183.13881	69.6
199.09749	32.0
207.10309	14.5
209.11693	25.2
211.13391	100.0
227.12872	14.5
233.70122	10.2
235.08173	16.9
253.09293	18.8
279.23395	21.6
463.21786	12.4
508.14926	9.7
611.30792	19.8
637.31879	10.8
655.33368	12.7
673.33777	13.7
699.67682	12.0
709.32263	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	709.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25887	0.3
55.67910	0.3
57.03445	9.4
59.01383	2.9
61.98824	0.4
63.30075	0.3
71.01389	1.7
71.56883	0.4
72.99322	0.6
81.03452	1.1
83.05040	0.3
85.02950	1.0
85.81026	0.3
93.03441	1.9
94.77475	0.3
95.01399	0.5
95.05025	1.0
96.96004	1.5
99.04513	0.8
101.02460	2.3
113.02449	1.0
118.95354	0.3
119.05054	0.3
121.02949	0.4
122.03751	0.9
123.04518	79.9
124.04845	2.7
125.02457	1.0
129.02003	0.4
134.03725	4.2
137.02438	2.8
149.06076	2.5
151.00359	0.6
153.05563	100.0
154.05907	3.6
160.01695	0.8
161.04604	0.3
164.07133	0.4
175.04042	1.2
191.05507	0.3
193.05020	1.3
199.88411	0.3
223.41002	0.3
225.01425	0.3
255.67101	0.3
267.08734	1.3
269.04492	1.7
270.04984	0.7
271.05298	0.7
309.09689	2.0
337.09247	0.7
338.71912	0.3
349.12750	0.5
411.13013	0.7
453.13885	0.6
473.14227	0.6
555.17328	0.4
565.19214	9.3
566.19690	1.9
607.20245	6.2
608.20398	1.1
647.23346	1.3
686.92126	0.3
709.23230	9.1
710.24084	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	709.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
57.03445	13.4
59.01373	6.4
61.98827	0.4
62.47400	0.3
69.25996	0.6
69.26407	2.1
71.01375	3.8
73.02951	1.0
81.03479	0.8
83.01407	0.6
85.02935	1.5
87.00879	0.3
87.50712	0.2
88.98809	0.4
89.02438	2.6
93.03463	0.8
95.01386	0.6
95.05036	1.1
96.96011	1.2
99.04514	4.2
99.44176	0.3
101.02430	5.3
113.02426	1.7
119.03504	1.0
121.02916	0.3
122.03718	1.0
123.04516	70.3
124.04862	2.1
125.02440	2.4
134.03745	2.0
137.02428	0.7
143.03485	0.5
149.06064	1.1
153.05565	100.0
154.05910	3.8
160.01651	1.3
161.02452	0.3
161.04599	1.7
161.05820	0.4
175.04015	2.0
176.04439	0.4
179.05630	0.8
193.05040	1.0
195.06531	0.3
267.08804	0.3
267.10925	2.2
276.76947	0.3
297.09488	0.4
309.09711	0.5
335.09848	3.8
337.09360	0.9
441.21207	3.3
442.21332	0.4
565.19141	5.9
566.19409	1.0
607.20313	2.8
647.23407	2.3
648.23535	0.5
649.62201	0.3
709.23193	13.9
710.23853	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	707.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.1
65.69963	0.1
66.62292	0.1
69.27596	0.8
71.01382	0.1
79.95731	3.3
88.04037	0.4
96.96005	100.0
97.95931	0.3
101.02450	0.1
132.03001	0.5
133.02946	0.2
140.63577	0.1
175.03922	0.2
250.07230	0.4
251.07492	0.1
262.66379	0.1
312.06418	0.1
327.05093	0.1
339.05023	0.2
341.06622	0.1
369.06061	0.8
370.06458	0.1
381.05890	0.1
399.07306	0.6
489.10590	0.4
519.11432	0.1
609.14526	2.7
610.15027	0.5
707.10962	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	705.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90151	0.1
53.42615	0.1
55.01868	0.2
57.03453	0.3
59.01377	2.2
61.98821	0.5
63.28856	0.1
70.76134	0.3
71.01385	1.4
71.05016	0.2
72.18369	0.1
72.99290	0.2
73.02937	0.6
75.00885	0.3
79.95733	2.9
83.01379	0.4
85.02952	0.6
87.00866	0.2
88.98830	0.1
89.02438	0.6
96.96006	100.0
97.02916	0.2
97.06554	0.2
97.95959	0.4
99.00876	1.6
101.02412	1.0
113.02438	0.5
116.14060	0.1
119.03507	0.2
125.02395	0.2
125.09715	0.4
128.32841	0.1
137.02303	0.2
147.03075	0.1
161.04509	0.2
163.11250	0.5
165.04019	0.2
171.10153	0.1
181.12366	0.9
190.33276	0.1
197.11694	0.1
199.13425	0.6
207.10243	1.7
225.11324	2.9
243.12341	1.7
261.66956	0.1
269.04510	0.3
291.19589	0.3
307.19135	0.1
350.96414	0.1
374.85156	0.2
479.21091	0.4
503.32132	0.4
513.27020	1.1
514.27405	0.1
541.27875	0.1
559.28223	0.2
645.35858	0.1
661.30463	0.9
662.31458	0.2
667.39136	0.2
687.31482	0.1
705.33252	5.6
706.33600	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	705.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58384	0.3
50.78846	0.2
55.01884	0.6
56.81995	0.3
57.03444	1.0
58.00599	1.1
59.01376	100.0
60.01715	1.4
61.98826	0.4
67.01879	0.4
69.03446	1.5
69.26086	2.8
71.01378	37.5
72.01733	0.5
72.99303	4.2
73.02944	32.6
74.03268	0.4
75.00869	1.1
81.03452	1.0
81.60886	0.3
83.01381	10.9
85.02946	12.4
87.00873	1.3
89.02441	16.5
93.03436	0.4
95.01385	2.9
96.96004	6.9
97.02943	1.6
98.20756	0.6
98.95586	0.9
98.96434	0.3
99.00877	1.6
99.04531	0.4
101.02440	39.9
102.02776	0.9
107.01305	0.3
111.00838	0.3
112.42337	0.3
113.02444	30.8
114.02753	0.7
116.92838	0.8
117.03451	0.5
119.03491	8.6
125.01598	0.5
125.02440	2.9
131.03491	5.3
137.02394	0.5
143.03499	9.0
147.02953	0.6
149.04553	7.3
150.31926	0.3
155.03482	2.5
161.04546	17.7
162.04887	0.6
179.05617	3.9
191.14374	3.8
192.14740	0.4
199.45573	0.3
203.05600	4.0
219.17195	0.4
221.06662	3.0
253.24800	0.4
267.06998	0.5
268.03735	0.6
269.04544	8.1
270.04837	0.9
303.95261	0.3
331.06448	1.2
413.21808	0.5
435.07831	0.6
467.07553	0.3
497.23685	1.1
515.24890	2.9
533.25726	0.8
557.26123	1.8
558.26196	0.5
575.27087	3.1
576.26111	0.4
601.11621	0.9
602.11517	0.4
617.27728	0.5
639.80652	0.5
705.23572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07904	0.3
51.28104	0.3
51.45279	0.3
55.01875	1.2
57.03446	1.2
58.00593	1.5
59.01375	100.0
60.01712	1.2
60.92270	0.3
61.98832	0.3
67.01859	0.3
68.06076	0.3
69.03458	1.5
71.01376	34.9
72.01689	0.4
72.99310	3.7
73.02941	30.5
74.03280	0.7
75.00882	0.9
80.00256	0.4
81.03434	0.5
83.01379	9.6
85.02944	11.2
87.00881	2.0
89.02439	15.7
95.01378	3.0
96.96000	4.7
97.02953	1.2
98.95589	0.6
99.00882	2.0
99.04519	0.3
101.02436	40.6
102.02769	0.5
107.01397	0.4
111.00848	0.4
113.02444	29.7
114.02825	0.6
115.46664	0.3
116.92866	0.7
119.03499	9.0
119.04319	0.5
125.02424	3.4
131.03488	4.0
135.04535	0.3
143.03485	8.6
145.03004	0.3
147.03038	0.5
148.92294	0.4
149.04538	6.3
155.03496	2.2
161.04546	15.9
162.04890	0.4
179.05585	4.7
179.85004	0.3
191.14380	2.9
203.05574	4.4
221.06651	3.3
229.15359	0.4
269.04532	6.3
276.26196	0.3
331.06799	1.0
331.84402	0.3
497.23972	0.8
515.24866	2.0
533.25848	0.6
538.19464	0.4
557.26208	1.8
575.26929	2.6
576.27509	0.7
617.29309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03445	1.0
58.00592	0.5
59.01376	100.0
59.58496	0.5
60.01725	0.6
60.28279	0.4
63.02396	1.0
64.17533	0.5
65.00305	0.5
65.83678	0.4
71.01376	27.7
71.42063	0.6
72.99305	24.7
73.02940	10.8
73.99657	0.5
75.00868	0.5
79.95736	1.0
83.01386	4.0
85.02944	13.2
87.00877	2.4
89.02438	13.9
89.90069	0.4
95.01395	3.4
95.77935	0.4
96.96005	16.4
97.02962	1.5
98.19830	1.0
98.95594	1.7
99.00855	2.6
101.02437	15.1
101.03100	1.0
107.01403	1.0
113.02441	32.7
114.02786	1.0
116.92854	1.0
117.03429	2.5
119.03510	5.0
124.01679	0.6
125.02472	1.9
131.03529	1.4
143.03484	4.1
149.02394	1.3
149.04576	2.1
151.00410	0.8
155.03450	1.1
159.04517	0.7
161.04527	8.3
179.05611	4.7
183.09323	0.5
203.05540	0.6
221.06679	1.1
226.60088	0.5
227.03461	0.6
268.03830	2.1
269.04514	51.1
270.04935	4.9
331.06699	11.4
331.10370	0.8
332.07187	0.9
352.57797	0.5
375.05908	1.4
393.06674	0.8
427.06876	2.0
435.07846	2.7
497.11661	0.8
497.23825	5.9
497.29892	0.5
498.24384	0.9
515.24921	18.3
516.25232	3.4
533.26154	3.4
557.25909	11.8
557.33521	0.8
558.26538	1.7
575.27087	7.4
576.27905	0.9
601.12134	4.7
602.12714	0.7
605.18207	0.5
617.27869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03445	1.0
58.00592	0.5
59.01376	100.0
59.58496	0.5
60.01725	0.6
60.28279	0.4
63.02396	1.0
64.17533	0.5
65.00305	0.5
65.83678	0.4
71.01376	27.7
71.42063	0.6
72.99305	24.7
73.02940	10.8
73.99657	0.5
75.00868	0.5
79.95736	1.0
83.01386	4.0
85.02944	13.2
87.00877	2.4
89.02438	13.9
89.90069	0.4
95.01395	3.4
95.77935	0.4
96.96005	16.4
97.02962	1.5
98.19830	1.0
98.95594	1.7
99.00855	2.6
101.02437	15.1
101.03100	1.0
107.01403	1.0
113.02441	32.7
114.02786	1.0
116.92854	1.0
117.03429	2.5
119.03510	5.0
124.01679	0.6
125.02472	1.9
131.03529	1.4
143.03484	4.1
149.02394	1.3
149.04576	2.1
151.00410	0.8
155.03450	1.1
159.04517	0.7
161.04527	8.3
179.05611	4.7
183.09323	0.5
203.05540	0.6
221.06679	1.1
226.60088	0.5
227.03461	0.6
268.03830	2.1
269.04514	51.1
270.04935	4.9
331.06699	11.4
331.10370	0.8
332.07187	0.9
352.57797	0.5
375.05908	1.4
393.06674	0.8
427.06876	2.0
435.07846	2.7
497.11661	0.8
497.23825	5.9
497.29892	0.5
498.24384	0.9
515.24921	18.3
516.25232	3.4
533.26154	3.4
557.25909	11.8
557.33521	0.8
558.26538	1.7
575.27087	7.4
576.27905	0.9
601.12134	4.7
602.12714	0.7
605.18207	0.5
617.27869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84047	0.4
55.01862	0.8
57.03440	1.2
59.01377	20.8
61.99279	0.3
63.02382	2.0
65.00336	1.0
69.03428	0.5
69.19735	0.3
71.01379	5.5
71.26328	0.7
72.99306	32.7
73.02936	1.1
75.00871	0.9
83.01376	1.4
85.02948	10.3
87.00846	0.5
89.02460	0.6
93.03472	0.7
95.01385	1.5
95.27360	0.3
95.58865	0.3
96.14206	0.3
97.02951	1.6
99.00877	2.7
101.02449	1.7
104.72427	0.4
107.01388	2.1
113.02448	25.2
114.02793	0.9
115.00344	1.6
117.03449	4.8
119.03542	0.6
133.01405	0.5
135.04527	0.5
139.00276	0.6
149.02414	1.3
151.00323	1.1
153.19591	0.5
157.01404	0.8
159.04504	1.7
161.02414	0.8
161.04512	0.7
166.87454	0.4
169.06480	0.4
175.02463	0.4
183.04500	0.6
197.06013	0.9
201.05571	0.7
224.04852	0.5
225.05574	1.5
227.03496	0.5
245.06726	0.5
257.06711	0.4
268.03738	3.2
269.04523	100.0
270.02222	0.7
270.04886	9.6
271.04501	0.6
281.04504	0.7
313.05618	0.8
331.06677	14.6
332.07053	0.7
373.08215	0.4
375.06168	0.5
393.06671	0.8
427.06284	1.9
435.07794	7.4
467.09903	0.9
539.11902	0.8
601.11987	7.8
602.12360	1.7
728.38879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81442	0.4
55.01852	0.4
57.03430	1.1
59.01377	39.3
63.02393	1.7
65.00322	0.8
67.01870	0.6
69.20342	0.8
69.20760	3.5
71.01376	13.6
72.99303	47.1
73.02940	3.4
73.99660	0.6
75.00855	0.5
83.01373	2.5
85.02942	10.1
87.00873	2.7
89.02442	1.5
93.03432	0.5
95.01381	1.8
95.01939	0.4
96.96007	2.3
98.20623	0.7
98.95602	0.6
99.00862	1.6
101.02449	2.6
102.59110	0.4
107.01384	2.3
107.23030	0.4
112.01669	0.5
113.02448	25.3
114.02764	1.0
115.00336	1.2
117.03454	4.6
119.03484	1.0
131.03491	0.8
133.01437	0.4
143.03500	0.7
149.02466	1.9
151.00360	1.5
155.03473	1.1
157.01416	0.4
159.04529	1.8
161.02408	0.8
161.04536	1.4
169.06683	0.6
179.05673	0.4
181.06575	0.9
183.04466	0.9
196.05226	0.5
197.06071	0.7
201.05507	0.5
225.05487	1.9
227.03502	0.5
245.06602	1.1
268.03723	4.2
269.04517	100.0
270.04877	7.5
281.04517	0.8
289.05566	0.4
313.05661	1.1
331.06677	21.6
332.06976	1.3
375.05728	2.3
393.06842	1.9
427.06619	2.9
435.07776	4.9
436.08344	0.6
454.44443	0.5
497.10800	1.8
497.23718	0.4
515.24939	2.7
557.25940	1.1
575.26202	0.6
601.11932	8.8
602.12140	1.1
645.10858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
60.01704	0.4
61.98828	100.0
75.81686	0.2
101.95029	0.2
170.72357	0.2
209.11812	0.3
482.15485	0.3
483.15292	0.6
484.15479	1.2
485.15894	0.2
498.17206	0.4
543.17078	0.3
555.18695	0.2
556.18811	0.3
557.18970	1.0
558.18988	2.5
559.17859	0.2
574.15625	0.4
575.16064	0.6
589.18463	0.2
643.22742	0.3
644.23065	1.6
703.24927	0.4
704.23975	4.4
705.23962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09349	0.2
59.01373	0.4
61.98828	100.0
62.98534	0.2
65.16933	0.2
71.55680	0.2
79.25893	0.1
96.96003	0.4
109.38432	0.2
109.79363	0.2
211.13480	0.5
212.13834	0.2
228.74304	0.2
409.29285	0.2
431.40802	0.2
443.87592	0.2
697.19995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06732	31.8
53.65276	29.8
67.17551	33.0
71.57866	42.7
76.98347	35.1
87.70947	35.1
171.10214	100.0
277.21759	68.6
703.38031	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	704.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.2
60.01704	0.4
61.01805	0.2
61.98827	100.0
62.98534	0.1
70.90058	0.1
71.55072	0.1
71.55424	0.1
71.99847	0.1
72.66392	0.1
74.51249	0.1
74.82825	0.1
103.53926	0.1
107.39613	0.1
140.54907	0.1
362.25916	0.1
440.13388	0.1
441.13193	0.1
482.15125	0.2
483.15155	0.8
484.15381	1.3
485.15509	0.1
497.16800	0.2
498.16922	0.6
499.18320	0.1
500.18408	0.2
517.15112	0.1
542.16748	0.2
543.16510	0.4
555.18848	0.1
556.18805	0.3
557.18823	0.9
558.19104	2.6
573.15985	0.1
574.15521	0.3
575.15765	0.6
588.17212	0.1
589.17273	0.3
612.20880	0.1
641.21936	0.1
642.23053	0.1
643.22485	0.3
644.13159	0.1
644.22839	1.5
645.22467	0.1
665.13770	0.1
703.24744	0.4
704.24512	5.6
705.23798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98827	100.0
62.98531	0.2
70.72759	0.2
71.01384	0.1
73.72330	0.1
76.33212	0.1
96.96030	0.1
160.77272	0.1
193.67932	0.1
624.34015	0.2
642.34576	0.2
718.93774	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	703.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	29.8
70.80333	72.3
79.37016	25.0
124.04526	27.2
124.88533	25.8
135.87877	26.0
171.10219	61.4
223.16045	24.4
277.21762	100.0
703.37476	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	702.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.2
57.79291	0.2
59.01371	0.7
64.28533	0.2
65.03951	0.3
71.01375	1.8
73.02939	0.7
85.02949	1.0
93.03455	47.2
94.03777	1.2
96.96005	0.9
98.19952	0.2
101.02433	0.7
102.10757	0.2
112.64627	0.2
113.02403	0.3
123.04512	0.8
137.02441	100.0
138.02777	3.6
153.05611	1.2
154.05936	0.5
157.06270	0.2
161.04539	0.7
263.48578	0.2
270.55362	0.2
285.07077	0.2
299.07690	20.3
300.08112	1.5
373.15799	0.2
481.07159	0.2
499.66467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.2
57.79291	0.2
59.01371	0.7
64.28533	0.2
65.03951	0.3
71.01375	1.8
73.02939	0.7
85.02949	1.0
93.03455	47.2
94.03777	1.2
96.96005	0.9
98.19952	0.2
101.02433	0.7
102.10757	0.2
112.64627	0.2
113.02403	0.3
123.04512	0.8
137.02441	100.0
138.02777	3.6
153.05611	1.2
154.05936	0.5
157.06270	0.2
161.04539	0.7
263.48578	0.2
270.55362	0.2
285.07077	0.2
299.07690	20.3
300.08112	1.5
373.15799	0.2
481.07159	0.2
499.66467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.7
61.98837	2.7
71.01375	1.4
71.12424	0.7
71.12748	0.7
89.02439	1.0
96.95999	1.2
101.02461	2.8
113.02435	0.7
161.04482	0.7
183.13898	6.4
193.12329	1.5
211.13374	100.0
212.13713	5.8
235.08261	1.5
253.09297	3.8
291.54840	0.5
387.25580	0.8
429.21405	1.7
430.21524	0.6
447.22314	12.6
448.22299	0.7
623.34412	5.2
624.34467	1.5
641.35266	2.9
642.36029	0.7
648.72394	0.8
689.15973	0.7
719.97485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4474
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
57.03451	0.5
59.01372	3.7
61.98831	0.7
70.13551	1.7
71.01379	3.6
71.52163	0.4
72.99296	0.7
73.02937	1.4
79.10056	0.5
83.01420	0.5
85.02950	0.8
85.32065	0.5
87.00852	0.8
89.02451	2.9
95.01406	0.6
101.02440	3.7
111.08140	1.1
113.02462	2.2
119.03545	0.6
133.05083	0.6
161.04561	1.2
165.12854	6.5
166.13129	0.9
183.13884	52.0
184.14206	2.8
194.28764	0.4
209.11766	2.8
227.12843	2.9
235.08130	2.1
253.09265	4.3
255.23267	100.0
256.23630	8.5
264.52356	0.6
283.35541	0.5
293.96420	0.5
334.58783	0.5
343.11252	0.5
433.26068	0.6
445.20728	1.6
463.21887	1.7
517.71381	0.5
660.59338	0.6
701.44739	89.7
702.45111	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	701.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.73233	0.6
61.98837	0.8
70.69884	1.5
78.62431	0.7
101.65723	0.6
151.44444	0.7
211.30663	0.7
305.16260	0.7
438.13315	4.8
439.14087	1.0
451.14444	0.7
451.81674	0.7
452.14804	2.6
453.15225	0.7
455.09653	0.9
467.13300	0.9
470.12106	1.1
480.14267	1.8
481.15131	45.7
482.15521	10.6
495.16699	13.1
496.16956	2.4
497.18430	5.5
498.18311	1.3
514.14709	2.6
515.15363	0.8
523.16339	1.0
525.14099	1.3
539.15802	2.6
540.16498	13.1
541.16797	3.4
553.17462	1.1
554.17761	2.1
555.18793	79.0
556.19061	19.3
567.18744	3.3
569.20447	1.9
572.15442	23.8
573.15332	4.0
586.17004	5.2
587.17810	1.3
599.21527	1.9
600.19055	1.0
609.19904	1.7
610.19855	0.8
627.21216	1.9
641.22528	40.2
642.22711	10.7
658.19556	1.0
701.24591	93.6
702.24841	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01713	0.9
64.34540	0.3
64.76006	0.3
65.73299	0.3
70.68948	0.6
78.33627	0.4
184.36839	0.3
228.24323	0.4
423.10846	0.4
437.12515	0.9
438.13239	3.4
439.13553	1.0
451.13904	0.8
452.15005	1.9
455.09976	1.0
465.11990	0.4
466.12772	0.6
467.13495	1.0
470.12497	0.4
479.13593	0.4
480.14310	1.1
481.15149	30.5
482.15479	8.3
495.16754	12.2
496.17258	3.4
497.18460	5.9
498.18445	1.4
509.14691	0.6
514.14844	2.5
515.14996	0.6
523.15930	0.8
525.14124	1.3
539.15533	2.8
540.16388	9.2
541.16693	1.9
553.17560	1.0
554.17871	2.6
555.18811	57.1
556.19049	11.7
556.27637	0.5
567.18927	0.6
572.15442	14.9
573.15631	4.0
586.17102	6.2
587.17395	1.7
609.19830	1.4
610.19727	0.5
626.19861	0.4
627.20990	1.4
641.22534	28.5
642.22723	7.7
701.24615	79.6
702.24902	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	699.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00952	1.3
57.03451	3.4
58.00581	2.1
59.01376	71.5
71.01002	2.2
71.01378	30.0
72.99287	2.1
73.02938	5.6
75.00863	3.7
77.19875	1.3
83.01379	3.5
85.02957	9.9
87.00806	1.6
87.04475	1.4
89.01928	2.0
89.02444	24.9
95.01374	3.2
99.04511	11.8
101.02436	21.5
103.87724	1.4
105.05548	2.7
113.02455	12.2
119.03493	8.1
121.37952	1.3
125.02406	1.5
137.02448	1.6
143.03516	1.4
161.04515	8.8
165.12807	2.2
179.05528	3.3
189.12820	4.6
207.13893	9.2
209.11809	36.5
210.12155	2.6
216.55112	1.7
249.09706	3.1
251.12758	3.1
267.10956	7.0
269.14035	1.9
309.11700	3.8
316.84503	1.6
389.18054	5.6
390.18671	1.5
501.23389	5.1
507.67862	1.6
508.66092	1.3
519.24463	72.4
520.24872	5.7
532.08917	1.5
567.26526	1.9
655.35419	2.2
699.30750	100.0
700.31183	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	698.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	1.3
69.39544	1.1
69.39949	3.2
85.01041	0.5
88.04052	1.8
94.08459	0.6
109.03023	0.8
121.02934	1.0
122.68581	0.5
125.02491	1.6
132.02148	0.6
132.03030	3.1
133.02943	7.3
135.04491	0.6
137.02385	0.6
146.88113	0.5
147.04536	2.9
149.02393	0.8
151.00363	0.8
161.02475	1.1
163.00374	1.9
163.04012	1.3
164.07190	7.1
175.04018	1.8
191.03531	1.0
193.01489	0.6
201.01935	1.2
206.08200	10.0
207.08592	1.2
209.80185	0.7
225.05551	1.3
232.25603	0.6
250.07191	1.7
253.05225	0.8
255.02957	1.1
269.04523	0.8
284.03284	5.2
285.04025	11.9
297.04053	15.1
298.04758	11.9
299.05566	9.4
300.05997	0.8
310.90439	0.6
311.05588	4.3
324.02563	0.8
325.03464	0.9
327.05090	48.2
328.05481	4.0
337.07397	0.7
339.05136	5.3
340.05396	0.7
341.06552	1.2
357.06146	39.8
358.06451	4.2
365.06677	0.7
369.06091	2.3
381.06384	0.8
411.07059	1.2
429.08307	4.2
447.09299	100.0
448.09610	11.5
525.09845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.2
59.01377	33.3
60.99308	3.1
61.17680	1.3
61.98835	9.3
69.03459	1.7
69.27010	11.4
71.01376	17.5
72.99293	2.9
73.02945	6.8
75.00880	2.0
80.02678	1.2
81.08378	1.1
83.01389	2.7
85.02952	5.0
87.00869	2.4
88.98807	13.7
89.02440	9.7
93.03451	4.5
95.01343	1.3
96.96013	15.3
98.29272	1.2
98.95598	3.1
99.00849	1.8
101.02438	14.0
108.02194	2.9
113.02463	7.7
118.36513	1.2
119.03517	2.9
119.04978	1.2
121.05072	3.2
122.02465	3.2
123.04544	2.5
124.01664	3.0
125.02466	1.8
128.63602	1.3
133.34952	1.2
134.03757	1.4
137.02437	8.2
147.04498	2.0
151.00383	1.3
159.04535	2.5
160.01642	2.2
161.02512	1.7
161.04527	4.2
162.05606	1.7
163.03978	1.8
165.05534	1.9
173.02441	3.5
174.01897	1.4
174.03178	7.9
175.03989	3.6
193.05016	1.9
195.06674	1.6
201.01965	1.5
202.02742	2.9
205.04771	1.6
206.02217	1.9
215.03452	2.3
217.04980	3.8
223.07869	1.3
237.05530	2.8
237.09560	2.1
249.05461	4.3
250.06241	2.2
251.07053	2.8
261.05582	1.6
262.06363	1.7
263.07040	2.9
264.07837	3.0
265.05005	5.6
265.07864	1.4
267.06622	5.4
277.05029	4.4
279.06567	9.6
279.10220	3.8
280.07199	2.2
282.09015	3.9
289.05057	2.5
292.07431	2.6
293.04468	6.1
293.07892	2.0
294.05597	2.4
294.08902	17.5
295.06125	1.8
295.09485	2.1
297.11597	2.5
303.06775	1.7
304.07529	1.7
305.04544	6.3
305.08282	2.8
307.06204	1.4
308.06778	11.9
309.07596	4.8
309.11148	2.7
320.06873	8.5
322.08289	1.8
323.05484	2.9
323.09167	19.8
323.12982	1.3
324.09479	4.1
335.09100	6.7
337.07214	2.0
338.07895	6.9
341.10324	4.5
353.10239	45.2
354.10562	4.1
377.61414	1.3
380.09250	1.6
383.10861	1.4
395.11267	5.0
501.15073	2.2
516.81946	1.3
589.15259	1.9
593.31543	4.1
604.17914	1.9
607.20343	32.5
608.20514	5.9
611.32611	2.0
619.20306	100.0
620.20618	21.7
637.21350	25.9
638.21802	5.1
653.37408	4.1
653.80768	2.4
697.21240	2.2
697.34186	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	697.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.5
59.01375	0.9
60.26527	0.3
61.98820	0.7
65.00332	0.4
69.31071	1.8
69.31476	1.1
71.01365	0.6
81.03452	2.4
83.01384	8.1
93.03439	0.9
95.05029	0.6
96.95987	0.5
97.02956	1.3
98.20661	0.7
101.02399	0.5
107.01384	0.5
108.02159	0.4
109.02979	0.5
115.00375	0.5
120.18586	0.3
121.02956	2.1
123.04513	0.7
124.01662	0.8
125.02440	100.0
126.02771	3.3
128.03455	0.4
133.01422	0.4
133.02957	0.7
137.02422	0.7
139.04008	2.2
146.04568	0.7
148.01605	0.5
149.02435	5.3
153.01981	0.4
161.02423	6.5
162.03209	0.4
162.05635	0.4
164.06992	0.5
165.01903	0.9
166.39078	0.4
167.03516	3.4
175.04126	0.4
177.01900	1.2
179.03490	0.7
206.08279	0.5
237.19099	0.4
285.03909	0.7
287.05579	1.0
317.06906	0.4
333.34891	0.5
352.72894	0.4
447.08936	0.6
449.10849	47.7
450.11154	5.9
473.10925	1.9
491.11905	4.7
492.12198	0.5
653.17194	13.2
654.17627	2.1
697.22125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01714	0.8
61.98834	1.7
71.01373	2.0
71.25916	0.4
88.66289	0.3
98.19950	0.4
99.82140	0.4
101.02421	0.5
113.31915	0.4
119.05085	0.9
121.02936	1.8
151.07686	0.5
163.04048	0.4
171.10300	2.3
185.11864	0.7
191.03522	1.2
195.13853	0.8
209.04594	1.1
289.17932	0.8
310.17297	0.4
389.46384	0.3
543.52557	0.4
593.13025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01701	0.7
70.77415	0.8
70.77741	0.7
78.95905	8.2
84.37551	0.5
88.18688	0.6
130.52997	0.5
185.33836	0.5
205.15950	1.1
235.90994	0.5
365.73114	0.5
469.69153	0.6
570.90729	0.6
695.31104	43.1
696.31586	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	693.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40139	0.4
55.01871	0.5
57.03453	1.4
59.01378	5.9
65.00329	0.6
67.01891	0.6
68.99813	0.6
69.03493	0.5
69.46738	3.8
71.01027	0.5
71.01377	24.2
72.99303	42.1
73.02919	0.6
75.00868	1.1
80.00558	0.5
83.01375	5.9
85.02949	14.1
87.00862	3.8
89.02460	1.1
93.03453	0.5
95.01379	2.9
96.96005	3.0
97.02952	0.8
98.19891	1.0
98.95596	1.2
99.00877	3.5
101.01871	0.5
107.01392	0.8
113.02448	28.2
114.02811	0.7
115.00397	2.6
121.02876	0.5
131.03471	2.5
133.01448	1.1
133.09607	0.4
134.03760	0.8
144.94571	0.4
151.00351	1.0
157.01474	0.7
215.05695	0.6
227.03453	0.9
227.61342	0.5
255.02925	1.6
256.03668	4.0
271.04556	1.1
283.02368	1.3
284.03235	81.8
285.03668	10.2
289.05646	33.9
290.06018	2.6
298.05032	0.6
299.05579	100.0
300.05930	7.7
333.04483	1.7
336.70166	0.5
351.05682	2.0
393.06760	6.9
442.05515	0.7
450.32822	0.5
455.09961	1.4
457.07648	1.8
589.11920	29.8
590.12354	4.4
633.10974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18397	1.2
54.56889	1.2
61.98806	2.1
62.96405	1.4
70.58121	4.6
78.95901	61.9
84.12024	1.3
95.21910	1.3
96.96945	5.6
111.08170	2.9
150.07739	1.3
152.99583	100.0
165.12846	34.3
166.13136	1.8
171.00647	9.0
183.13896	92.1
184.14224	4.0
209.11827	6.7
222.06810	1.4
227.03314	3.8
227.12868	25.1
245.04181	2.3
277.21777	2.0
345.10846	2.2
363.12250	6.3
425.16241	1.4
437.15796	20.3
455.16849	64.7
456.17059	4.8
648.55212	1.4
691.38269	91.0
692.38434	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30186	0.5
57.03429	0.6
59.01379	17.9
61.98826	3.3
65.35893	0.6
69.03444	0.8
71.01003	1.0
71.01379	14.2
72.99307	1.3
73.02941	2.2
75.00874	0.5
81.03448	1.0
83.01391	1.8
85.02947	3.0
87.00870	2.3
89.02438	11.8
95.01395	1.1
96.96009	5.1
97.02943	1.7
99.00862	0.9
101.02439	8.7
107.08567	0.6
113.02440	5.7
119.03502	3.9
121.02979	0.6
125.02411	2.7
131.03542	0.6
137.02533	0.8
143.03459	1.5
161.04543	2.2
171.10237	0.9
179.05598	2.0
179.14276	0.8
184.25812	0.6
195.13875	6.4
205.12328	0.7
205.16006	0.6
211.13316	1.3
223.13385	4.5
224.13916	0.6
228.13503	0.7
235.08229	3.4
253.09262	1.9
256.13120	1.1
265.21777	0.6
275.20117	4.7
293.21225	100.0
294.21542	8.2
305.08771	1.2
323.09863	0.7
397.13501	23.6
398.13724	2.0
415.14532	27.0
416.14893	2.4
499.29010	0.7
603.52081	0.5
627.48346	0.6
647.33917	1.0
673.34692	0.8
691.33881	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	691.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02626	0.1
58.14997	0.1
59.01377	0.8
60.02626	0.1
60.25448	0.1
60.34303	0.1
61.98812	0.2
69.38799	0.7
71.01377	0.4
75.00873	0.1
78.95897	0.1
79.95731	3.1
82.91129	0.1
88.98805	0.3
89.02456	0.1
89.96227	0.1
96.96006	100.0
97.89254	0.1
97.95955	0.3
100.86282	0.1
101.02419	0.2
109.15716	0.1
113.02448	0.2
114.93417	0.1
119.03571	0.1
248.96683	0.1
470.09589	0.1
489.34094	0.4
505.19168	0.1
549.36554	0.2
587.30597	0.1
602.48132	0.1
605.32092	0.1
647.33325	0.1
716.25275	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75155	0.2
56.18047	0.2
59.01377	3.9
61.21843	0.2
61.98832	1.0
63.02390	1.6
65.00307	1.1
70.86494	0.4
70.86850	0.2
71.01388	1.4
72.69632	0.2
73.02969	0.4
83.01392	0.8
85.02953	0.9
89.02449	0.5
92.37093	0.2
93.03451	0.4
95.01410	0.9
96.96017	2.1
99.00900	0.2
99.04509	0.2
101.02424	0.9
105.03497	0.3
107.01383	1.7
108.02174	0.2
112.01635	0.4
113.02439	1.3
117.03459	3.6
121.02940	0.2
123.04485	0.4
135.04547	0.4
145.08690	0.5
149.02451	1.3
151.00368	2.0
153.01848	0.2
153.05533	0.2
159.04509	1.4
161.02408	0.8
161.04608	0.4
167.03510	0.5
169.06586	0.2
171.04541	0.4
172.05220	0.3
180.05855	0.2
181.06628	0.3
183.04498	0.7
196.05247	0.7
197.06039	0.5
200.04791	0.4
201.05551	0.6
211.04073	0.5
212.04758	0.3
224.04704	0.3
225.05505	1.1
227.03532	0.7
239.03415	1.0
240.04314	1.4
251.03595	0.5
252.04156	0.2
267.02991	0.8
267.10855	0.2
268.03748	39.5
269.04520	100.0
270.04868	6.9
281.04578	0.5
293.04529	0.6
297.04056	1.2
297.08167	0.4
309.07681	0.5
311.05551	0.6
324.09970	0.2
327.05182	0.2
331.14554	0.2
337.07098	0.6
339.12274	0.5
365.06778	0.3
403.86072	0.2
413.08743	1.0
431.09796	1.9
432.09778	0.2
447.09314	0.3
459.09369	3.0
460.09186	0.3
473.10672	0.3
527.11957	5.0
528.12091	0.7
545.12830	0.9
587.14001	44.7
588.14313	7.1
666.66467	0.2
691.24646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67952	0.1
59.01375	0.3
61.98827	0.5
70.24715	0.3
71.01381	0.2
76.55780	0.1
76.92435	0.1
79.95737	3.7
89.02487	0.1
96.96006	100.0
97.95960	0.3
101.02428	0.2
121.02962	0.1
122.06324	0.1
134.03752	0.1
135.04453	0.1
141.74918	0.1
142.93805	0.1
149.02422	0.4
163.03963	0.2
164.04773	0.4
179.07166	0.2
193.01350	0.2
208.03671	0.5
223.06075	1.5
297.07788	0.2
319.94595	0.1
325.07037	0.2
353.06735	0.6
383.07642	0.3
385.11343	0.4
443.15604	0.2
459.15137	0.2
593.15118	1.9
594.15582	0.4
690.65723	0.1
691.22906	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.2
59.01376	4.0
61.98812	0.3
63.02379	1.4
63.88919	0.2
65.00306	1.1
68.99809	0.3
69.04776	0.2
69.59293	1.6
71.01373	1.1
73.02968	0.2
79.47031	0.2
83.01368	0.6
85.02956	0.4
87.00872	0.3
89.02433	0.4
93.03477	0.5
96.96006	3.3
99.00869	0.9
101.02438	0.4
107.01383	1.7
113.02434	0.9
117.03463	3.1
120.01766	0.2
123.04474	0.2
135.04463	0.3
141.44438	0.2
149.02408	0.6
149.99550	0.3
151.00365	1.5
159.04535	1.2
161.02451	0.5
169.06583	0.3
171.04520	0.5
172.05327	0.4
181.06531	0.3
183.04478	0.7
195.04475	0.4
196.05267	0.5
197.06029	0.5
199.03972	0.2
200.04750	0.4
201.05406	0.3
211.03975	0.5
224.04739	0.3
225.05521	0.9
227.03487	0.2
239.03487	1.3
240.04242	1.8
267.02939	0.9
268.03748	43.3
269.04520	100.0
270.04883	7.6
270.07059	0.2
277.05676	0.3
311.05930	0.3
335.12454	0.7
413.08777	1.0
431.09763	0.6
473.10861	0.4
515.11969	0.7
527.12134	1.6
528.11926	0.3
545.12897	2.9
587.14008	33.4
588.14319	5.9
589.11896	0.2
631.13104	3.0
632.13361	0.6
641.22504	0.3
673.24066	0.4
674.24567	0.2
691.18420	0.6
692.19879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80352	0.7
55.01881	0.9
59.01377	5.5
61.98814	2.4
63.22677	0.7
69.03448	1.2
69.95663	3.2
71.01382	4.1
83.01384	1.0
83.04960	0.8
85.02959	0.9
87.00857	1.1
89.02439	3.3
96.95995	1.6
97.06584	0.7
97.99395	0.7
98.20568	0.9
101.02447	4.2
103.61626	0.7
111.08134	1.6
113.02415	2.1
119.03475	0.9
131.03529	1.0
132.69847	0.9
161.04523	1.9
165.12830	11.2
167.14453	1.2
183.13879	83.8
184.14220	3.5
193.12318	1.7
209.11804	2.4
211.13380	75.8
212.13710	4.8
215.12877	2.6
227.12856	6.8
235.08009	2.1
253.09323	5.4
280.83450	0.8
445.20984	1.2
447.22159	2.3
463.22003	3.7
477.21042	0.9
657.34845	100.0
658.35303	16.3
658.46063	0.5
689.37585	11.4
690.37848	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	689.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44625	2.1
58.00599	2.1
59.01382	13.7
61.98820	8.0
71.01392	13.2
71.01732	2.6
85.02938	3.5
89.02435	13.8
89.38482	2.8
98.19896	8.5
98.26194	2.5
101.02421	12.0
106.37769	2.4
110.02523	2.3
112.27452	2.5
119.03522	3.0
125.02445	4.7
138.59756	2.4
153.34813	2.5
235.08142	5.4
252.03864	2.7
255.23260	41.1
256.23572	3.1
287.07773	4.1
305.08945	3.8
346.75632	2.4
397.13477	100.0
398.13812	8.8
415.14444	21.4
435.30856	2.7
653.37805	16.1
654.37775	4.3
676.15070	3.2
689.35132	88.3
690.35559	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	689.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98807	0.2
65.03963	0.3
69.76299	0.4
69.76712	0.5
71.01382	1.7
73.02926	0.3
75.88057	0.1
85.02939	0.6
86.46085	0.1
92.36396	0.1
93.03450	44.7
94.03774	1.3
95.01367	0.2
96.95999	0.5
99.00867	0.2
101.02457	0.7
102.69862	0.2
113.02457	0.5
116.05040	0.3
116.84145	0.1
123.00890	0.2
124.01681	1.0
125.01962	0.3
130.80534	0.2
135.04524	0.6
137.02434	100.0
138.02769	3.4
139.04027	1.0
140.04327	0.3
148.66660	0.1
161.04524	0.5
299.07684	20.6
300.07962	1.2
310.76489	0.1
328.25626	0.1
344.52121	0.1
389.18655	0.9
390.18845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72656	0.1
59.01378	1.1
61.98828	0.3
69.84910	0.2
69.85323	0.2
70.81410	0.1
71.01379	0.5
71.05019	0.1
72.28851	0.1
75.00863	0.1
79.95734	3.0
82.35946	0.1
83.01389	0.1
85.02963	0.1
87.00838	0.1
89.02449	0.2
94.98055	0.1
95.01420	0.1
96.35800	0.1
96.96007	100.0
97.95942	0.3
98.20556	0.1
99.00917	0.1
101.02428	0.2
104.73641	0.1
113.02423	0.2
114.22680	0.1
114.93378	0.2
130.12378	0.1
130.21143	0.1
134.06064	0.1
141.01692	0.1
158.96736	0.1
161.04526	0.1
163.04027	0.1
171.10251	0.1
176.07155	0.1
178.06384	0.1
193.08745	0.1
209.11807	0.1
225.11383	0.1
227.12857	0.1
229.14412	0.1
269.04413	0.1
335.18927	0.1
337.06406	0.1
381.23080	0.1
397.10339	0.1
487.32852	0.5
505.33569	0.1
525.27661	0.1
543.28607	0.2
547.34662	0.1
585.29559	0.2
603.30646	0.1
613.23230	0.1
629.35626	0.1
645.36517	0.2
647.36224	0.2
657.22040	0.1
689.27490	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	687.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01717	0.6
61.98828	0.5
79.98851	0.5
104.78229	0.4
152.99655	0.4
255.23213	0.4
438.20096	0.5
466.16354	0.6
467.17227	6.6
468.17642	1.8
481.18948	2.1
482.19107	0.9
483.20407	1.8
500.16751	0.7
526.18524	2.3
527.19330	0.6
539.19727	0.6
540.19830	0.6
541.20911	22.4
542.21173	5.8
558.17419	4.7
559.17792	0.8
569.80646	0.4
572.18982	1.3
595.20483	0.8
613.23706	0.5
613.39642	0.4
627.24622	9.2
628.24738	2.2
687.26660	37.0
688.26874	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	686.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.2
61.98828	100.0
62.98518	0.2
70.83460	0.3
71.01403	0.1
96.96000	0.1
143.98703	0.1
158.23576	0.1
169.33258	0.1
181.18500	0.1
279.23270	0.2
357.20020	0.1
389.25986	0.1
589.39111	0.1
626.35168	0.6
636.23053	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	686.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98827	100.0
62.98533	0.2
64.44578	0.1
66.28638	0.1
70.72194	0.2
70.72559	0.2
102.93738	0.1
109.29659	0.1
113.35918	0.1
133.69640	0.1
255.23344	0.2
279.23364	0.4
280.23633	0.1
314.34198	0.1
482.35828	0.1
625.35303	0.2
626.35272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51908	0.8
58.00594	1.1
59.01374	100.0
60.01718	0.8
61.98843	1.4
64.50236	0.7
69.03452	1.8
71.01379	33.5
71.56174	1.1
72.99310	4.9
73.02943	52.9
73.64830	0.8
74.19801	0.7
75.00866	5.9
81.03467	1.1
83.01382	14.8
85.02936	4.0
89.02432	8.7
90.02789	0.8
95.01398	2.0
96.96010	2.5
97.02920	1.6
97.06580	1.0
99.00903	2.2
101.02435	46.8
109.06600	1.0
110.03798	0.9
111.08162	1.9
112.98788	1.8
113.02444	15.1
115.05172	0.8
115.08764	0.8
116.04997	1.1
117.01929	1.8
119.03491	5.6
123.08152	2.2
124.01624	0.8
125.02465	1.6
125.06071	1.3
127.05140	1.3
130.08742	4.8
131.03535	5.0
135.03052	1.0
137.02402	1.1
137.06097	1.0
139.07646	4.9
142.99849	12.3
143.03514	3.6
149.04547	7.3
149.06064	2.2
153.05545	2.5
155.03500	1.5
161.04539	13.8
166.06279	1.3
167.04793	0.8
167.07115	8.0
173.00903	3.7
174.01707	6.9
175.02306	0.8
183.08830	1.0
185.16539	0.9
193.05013	2.5
203.05638	1.6
209.08089	0.9
211.06090	3.2
213.07759	2.2
221.06639	2.3
243.08632	3.6
271.08145	3.3
284.23318	1.7
300.13113	1.9
303.11060	1.0
338.12506	2.2
385.24887	0.9
522.07355	0.8
612.33881	1.3
642.34668	7.2
686.37146	12.3
687.36719	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58568	0.9
53.02953	0.8
54.16002	0.9
55.01871	0.9
56.52957	0.8
59.01390	7.7
59.30699	0.9
61.98819	2.1
66.48435	0.8
67.44007	1.0
70.26660	1.0
71.01369	7.9
71.57440	1.0
73.02941	2.6
83.01361	1.0
85.02956	2.2
89.02455	6.5
89.03909	0.9
93.03423	1.8
93.67998	0.8
96.96004	9.1
101.02441	5.2
107.25289	0.9
113.02446	3.0
115.00346	1.0
117.03489	2.4
119.03474	1.2
119.05014	2.5
121.02943	6.2
122.03735	5.4
132.02191	7.4
133.01408	2.2
133.02942	2.6
133.05078	1.3
134.03743	34.3
135.04546	2.2
137.02435	3.0
146.04634	1.9
147.04498	2.6
148.05240	1.1
149.02435	10.5
149.06070	8.5
150.03226	35.9
151.00403	1.7
151.03671	1.4
151.06161	4.3
153.05408	1.0
160.01651	37.3
161.02042	1.6
163.04050	2.0
164.04762	3.4
164.07193	3.0
165.01930	15.6
165.05574	34.2
166.05888	1.0
173.06026	2.1
175.03995	49.6
176.04784	8.0
178.02692	4.7
180.04242	2.5
181.04880	1.1
186.48448	1.0
191.03500	1.0
191.07140	12.6
193.05051	45.4
194.05383	2.6
195.06625	10.9
206.08183	4.5
207.06682	6.0
220.03821	2.2
225.07991	7.9
235.06078	35.6
236.06335	1.9
250.06180	1.4
265.07153	3.3
280.08096	1.2
282.08942	2.8
295.08136	3.9
295.10568	3.2
301.07098	9.0
321.09180	1.2
337.09097	1.4
341.10324	10.3
342.10458	1.4
352.90158	1.0
355.10947	2.2
370.18719	1.0
371.11636	3.0
383.11298	3.8
389.12387	10.7
413.12518	1.3
431.13605	4.8
459.15533	2.2
463.12531	12.5
464.12418	1.8
489.16125	100.0
490.16492	12.7
491.15628	3.4
523.21515	1.5
533.16254	0.9
636.12994	1.2
637.21478	4.0
685.23431	30.9
686.23706	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	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89164	0.8
57.03441	5.2
59.01376	3.8
61.98836	2.4
69.03481	0.8
71.01383	4.5
73.02945	0.8
78.95914	0.8
81.81155	0.6
83.01371	0.7
83.05036	1.2
85.02941	1.3
86.10496	0.6
87.00870	1.9
89.02425	2.2
90.45733	0.7
95.05037	1.8
97.06588	14.2
101.02438	4.5
109.31857	0.6
113.02456	2.0
123.08154	9.2
125.09718	87.4
126.10067	2.2
145.05046	1.9
161.04556	1.2
169.08739	1.3
187.09749	33.7
188.10060	1.0
235.08177	2.3
252.45216	0.6
253.09254	2.4
253.21724	0.9
277.21701	43.4
278.22043	4.2
279.23370	1.1
405.17538	4.5
423.18600	4.2
523.49774	0.8
683.40051	100.0
684.40442	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	685.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
70.92496	1.0
71.01380	13.2
77.03954	0.7
81.93306	0.5
87.00910	0.6
87.58929	0.5
88.68763	0.5
96.96028	0.5
101.02458	0.6
106.76367	0.5
109.02934	1.2
109.06533	0.4
114.95056	0.6
115.00371	8.9
119.05022	1.2
121.02950	100.0
122.03311	3.8
123.04516	0.8
125.02435	1.1
133.01419	1.7
133.02936	6.8
135.04552	1.0
147.04535	1.0
149.02425	1.0
153.05606	0.7
163.00381	1.2
163.04034	2.3
165.01828	0.7
175.03989	1.9
191.03474	1.3
193.01346	0.9
201.01944	0.9
237.04024	17.5
241.05099	0.6
269.04486	0.6
284.03226	4.9
285.03976	3.7
286.04657	0.5
297.00623	0.6
297.04004	10.1
298.04703	4.9
299.05554	11.5
300.05817	0.8
311.05713	1.1
317.73785	0.6
327.05063	62.8
328.05420	6.6
339.05051	2.0
357.06113	15.9
358.06369	1.0
369.06061	1.4
393.05856	0.6
411.07376	0.7
447.09286	57.8
448.09567	6.2
474.67416	0.5
489.16290	0.7
505.22626	1.3
685.29932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17928	0.4
57.03450	4.2
57.50370	0.4
59.01377	6.4
61.98821	0.5
69.03447	0.7
70.03960	1.8
71.01378	4.3
71.05032	0.5
72.99321	0.6
73.02939	0.7
74.58625	0.3
79.29557	0.4
83.01342	0.4
83.05038	0.8
85.02953	0.9
85.35034	0.4
87.00861	0.4
89.02455	4.6
95.05027	0.9
97.06588	14.6
98.06929	0.5
101.02431	2.6
113.02417	2.2
119.03509	1.1
123.08167	6.2
125.09721	100.0
125.38280	0.5
126.10063	2.7
139.17451	0.4
141.98300	0.4
143.10767	1.3
161.04565	0.8
169.08667	1.8
187.09744	68.9
188.10063	3.0
211.09767	1.1
241.59077	0.4
253.09331	1.9
255.23575	0.4
261.13409	1.2
276.66257	0.5
277.21710	15.4
278.22079	1.0
293.01831	0.5
304.21548	0.4
403.18280	0.5
405.17542	4.8
414.46350	0.5
423.18665	14.4
424.19089	1.3
683.40057	99.3
684.40424	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	683.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
59.01376	37.4
61.98814	1.4
71.01374	9.0
73.02933	2.1
78.85757	0.9
78.95883	0.9
81.03472	1.0
83.01363	1.1
83.05045	2.0
83.05544	0.8
85.02940	3.3
87.00870	3.7
89.02451	4.5
95.01357	1.7
99.00892	1.1
101.02438	5.2
109.06596	1.8
111.08147	1.4
113.02441	2.9
115.05780	0.9
119.03450	1.1
119.32858	0.8
121.02949	1.6
131.03391	0.8
135.08116	1.2
143.03453	1.0
145.05066	2.4
161.04523	2.9
165.01924	1.6
171.10277	5.4
202.30960	0.8
213.14928	1.4
231.17555	0.9
235.08168	5.5
239.16429	1.3
255.23114	1.1
277.21649	1.3
279.23178	2.1
293.21268	2.4
313.25427	1.2
315.26834	1.4
325.25186	3.7
341.24561	2.0
343.26300	4.2
351.23370	1.1
359.25876	4.9
361.27402	2.0
369.24313	7.3
387.25400	27.2
388.25751	2.5
405.26389	15.7
406.26593	2.1
447.25043	1.2
595.34259	1.5
623.34320	100.0
624.34656	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	683.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03447	4.2
58.00594	0.4
59.01379	16.2
61.98828	3.3
69.03465	0.4
70.57381	0.3
71.01377	22.4
71.58092	0.6
72.99308	3.8
73.02944	4.1
75.00867	19.9
78.60517	0.4
81.03441	0.5
83.01372	3.3
84.02139	0.5
85.02948	25.7
86.00078	0.5
86.03270	0.6
87.00864	6.9
88.98798	0.5
89.02433	3.7
93.03456	1.1
95.01380	3.4
96.41093	0.4
96.96011	6.2
97.02947	1.1
99.00875	7.4
101.02438	8.8
103.00378	0.8
106.57150	0.4
108.91528	0.4
111.00875	1.9
112.01675	0.7
113.02446	22.8
114.02769	0.5
115.00329	2.1
115.87378	0.4
117.01922	1.3
119.03500	0.7
123.04518	4.2
125.02448	1.3
129.01941	0.8
136.07613	0.4
137.02431	1.7
139.00371	0.4
148.05257	2.0
149.05856	0.4
151.04008	0.5
153.01907	1.0
153.05542	1.6
157.01384	0.7
159.02924	0.6
160.32675	0.4
161.04570	2.4
163.07617	1.8
165.02063	0.4
175.02467	2.3
193.05087	0.4
207.08711	1.0
213.18495	0.8
242.10394	0.6
251.11433	2.3
257.12915	1.6
275.07620	1.4
287.22079	0.5
301.11987	2.7
319.10327	4.3
325.12741	0.5
345.29926	1.4
393.11899	2.4
394.11673	0.5
439.19626	0.6
449.27383	1.4
481.15533	0.5
491.28598	2.6
507.35297	0.8
521.33057	0.8
523.10284	0.4
565.22693	0.5
579.33405	0.5
582.19061	0.5
623.36652	0.5
639.32440	2.5
640.33661	0.7
645.23688	0.6
647.27954	0.7
665.38104	0.6
683.38544	100.0
684.38873	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03447	1.0
59.01378	37.7
60.01711	0.5
61.98806	1.3
67.75066	0.5
69.03442	1.1
70.84045	1.4
71.01385	10.6
72.99317	0.9
73.02943	2.1
75.50313	0.5
83.01373	1.4
83.05007	1.5
85.02953	2.9
86.00061	0.6
87.00871	4.9
89.02446	5.1
95.01377	1.0
95.05038	0.6
97.02940	0.6
97.06602	0.9
98.20104	0.5
99.00887	0.8
101.02445	7.8
107.05031	1.1
109.06573	2.1
111.04492	0.6
111.08136	1.5
113.02457	3.7
114.21083	0.5
119.03492	1.1
125.02483	1.1
133.05067	1.0
133.06544	0.5
135.08116	1.4
137.09698	1.4
143.03500	0.7
145.05083	2.8
161.04533	2.1
162.03497	0.5
167.01131	0.5
171.10274	4.8
179.05571	1.0
203.14430	0.7
213.14812	0.8
221.80486	0.5
231.17548	1.2
233.79695	0.5
235.08211	8.0
237.14928	0.6
239.16525	2.0
241.18073	1.9
249.15105	0.8
253.09267	0.9
255.23308	1.3
265.18063	1.8
267.19583	1.1
275.16458	2.2
277.18225	0.8
277.21729	1.8
293.21118	3.2
315.26926	1.8
317.28488	0.9
325.25311	4.0
333.28018	1.1
341.24857	2.2
343.26309	4.2
344.26572	0.8
351.23120	1.5
359.25845	5.5
360.26062	0.8
361.27496	2.2
369.24258	7.8
370.24707	0.6
377.27036	1.4
387.25381	29.0
388.25598	3.6
405.26410	19.4
406.26685	2.2
420.11276	0.5
460.32626	0.5
479.30139	1.3
488.02261	0.5
510.53140	0.7
517.72119	0.6
595.34656	2.0
605.33301	1.0
623.34314	100.0
624.34711	18.6
624.44940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03434	1.0
59.01376	38.6
60.01689	0.8
61.98801	0.8
63.95237	0.4
66.44331	0.3
68.48129	0.4
69.03435	1.3
70.87565	0.7
71.01378	10.8
72.99302	0.7
73.02944	3.2
78.95912	0.6
81.03439	0.6
83.01367	1.4
83.05007	1.3
85.02939	2.9
87.00863	4.1
89.02440	4.5
95.01373	1.2
95.05002	0.7
97.02910	1.2
97.06553	0.5
99.00902	0.6
101.02435	8.2
109.06573	1.6
111.08132	1.2
113.02452	3.7
115.03991	0.4
119.03490	1.1
119.04960	0.4
125.02457	0.7
135.08183	0.9
137.09692	1.5
143.03479	0.5
145.05038	1.7
161.04544	2.3
167.01030	0.4
171.10257	21.7
172.10573	0.8
177.12915	0.5
179.05536	1.5
195.13860	1.1
203.14342	1.0
210.42769	0.5
211.13403	0.5
213.14938	1.4
221.15685	0.5
223.13330	0.5
231.17473	1.3
235.06004	0.8
235.08197	6.6
237.14938	1.3
237.18364	0.4
239.16479	1.7
243.17664	0.4
247.13264	1.1
247.16963	0.6
251.16418	0.6
253.09222	2.6
265.18048	0.8
267.19501	0.4
275.16510	1.4
275.20163	1.8
277.18173	0.7
277.21667	0.8
293.21216	8.4
313.25333	0.5
315.26880	1.9
316.48935	0.4
325.25348	3.7
341.24847	2.5
343.22675	0.6
343.26379	5.1
344.26688	0.7
351.23358	2.0
359.25848	5.6
360.26370	0.7
361.27509	1.6
369.24277	8.4
370.24393	0.8
377.27002	1.1
387.25357	27.3
388.25708	2.9
405.26385	18.4
406.26846	1.9
479.29904	1.0
595.35010	1.7
605.32886	1.4
623.34290	100.0
624.34613	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	683.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
57.03441	3.2
58.00579	1.2
59.01377	88.9
61.98822	2.7
69.24980	7.8
71.01379	35.1
72.99310	2.7
73.02939	4.3
75.00864	2.5
83.01377	2.7
83.04978	0.8
83.05548	0.9
85.02957	12.9
87.00861	2.6
89.02438	24.5
93.18439	0.8
95.01369	3.9
96.95992	2.2
99.00842	1.4
99.04514	15.6
101.02448	22.6
107.08626	1.4
113.02448	16.3
119.03488	8.0
121.06568	1.2
131.03511	1.3
143.03452	1.9
143.37831	0.9
149.04507	1.1
161.04561	6.8
165.12828	3.2
173.36320	1.0
179.05576	4.3
189.12846	6.1
207.13922	10.3
209.11827	46.9
210.12222	2.7
251.11137	6.2
269.13910	1.1
284.52185	1.1
389.18204	6.1
431.19119	1.8
449.20007	1.5
485.24060	8.9
486.24124	1.3
503.24988	73.9
504.25354	9.8
521.26184	1.4
665.30505	3.1
683.31244	100.0
684.31830	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	683.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.7
57.03425	4.3
58.00562	2.9
59.01378	98.7
60.01683	1.5
69.03424	1.3
69.44290	4.0
69.44712	3.4
71.01381	45.0
72.99276	4.0
73.02947	6.7
74.87967	0.9
75.00837	1.0
81.01385	0.9
83.01366	5.2
85.02956	12.8
87.00858	1.1
87.95744	0.9
89.02444	31.2
95.01347	3.3
95.04964	1.1
96.95974	1.3
97.02937	1.5
97.06599	0.9
98.00214	0.9
99.00826	1.8
99.04523	16.4
101.01808	1.4
101.02439	25.8
107.08652	1.3
109.06504	1.2
113.01720	1.1
113.02447	14.7
119.03513	8.3
121.06554	2.1
123.04471	1.1
125.02411	1.0
128.16826	1.0
131.03362	0.9
138.35747	0.9
143.03470	1.9
149.02390	1.2
153.01874	2.3
159.03014	1.1
161.04526	8.6
163.03989	1.4
165.05563	1.6
165.12738	2.3
165.52650	1.0
167.03476	1.4
179.05583	4.7
189.12837	7.6
205.04941	1.4
207.13873	13.0
209.04428	2.3
209.11824	53.4
210.12216	2.1
241.70805	0.9
251.10919	5.7
269.13831	1.5
347.79428	1.1
357.09857	5.3
387.10535	4.0
389.18094	6.8
431.19086	1.7
485.23819	9.4
487.18207	1.9
503.24969	84.5
504.25311	9.9
530.02295	1.1
644.87128	1.0
661.47998	1.2
665.30542	2.7
683.30847	100.0
684.31305	21.3
710.87018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
59.53011	0.7
71.01376	7.0
71.56597	1.1
72.99300	1.2
74.30902	0.6
84.85152	0.6
85.02927	1.2
88.04034	73.2
89.04366	1.2
91.05537	1.4
96.96011	6.1
110.46093	0.7
113.02448	1.4
114.01958	5.0
115.00370	15.0
122.30167	0.7
126.11700	0.7
132.03020	100.0
133.03323	2.0
135.04514	5.4
136.04814	1.0
149.21329	0.7
151.00337	0.8
151.42552	0.6
161.02321	0.8
206.08229	2.0
216.69104	0.6
223.55298	0.7
232.06250	1.0
250.07185	90.9
251.07542	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	681.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
57.03446	4.9
58.00595	0.4
59.01378	12.8
60.01725	0.5
61.98830	2.6
62.94862	0.4
67.66434	0.4
68.99802	0.6
69.03468	0.8
71.01379	23.7
72.01727	0.5
72.99307	4.8
73.02952	4.7
75.00870	20.2
78.95862	0.5
79.46138	0.4
83.01389	3.8
84.02170	0.6
85.02949	25.8
85.27946	0.4
86.00092	0.6
87.00871	7.1
89.02444	2.7
92.57834	0.4
93.03436	1.6
93.07098	0.5
95.01383	3.0
96.55482	0.4
96.96006	4.0
97.02955	1.0
99.00880	7.9
101.02437	9.7
103.00374	0.8
111.00848	0.9
112.01654	0.9
113.02451	22.5
114.02750	0.6
115.00356	1.8
117.01903	1.3
118.71397	0.5
119.05026	3.1
121.02921	0.5
125.02456	1.0
129.01910	0.7
135.00859	0.9
137.02440	2.8
139.00398	0.5
142.20868	0.4
143.03526	0.5
148.05315	3.4
149.04518	0.5
152.99594	0.9
153.01909	1.0
157.01349	0.7
159.02983	0.7
161.04584	4.5
163.04008	2.3
163.07631	2.8
175.02443	1.3
207.08784	0.8
213.18582	1.4
251.11317	4.1
269.04437	0.4
276.66763	0.4
319.10309	8.1
320.10696	0.8
325.12970	1.1
393.11887	6.1
394.12210	0.7
459.49429	0.4
464.45505	0.4
519.32294	0.5
645.23749	1.2
681.36932	100.0
682.37335	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	681.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22116	1.2
57.03440	3.3
57.82887	1.2
59.01376	24.1
61.98828	17.8
71.01384	15.1
72.65597	1.2
72.99306	2.3
73.02954	3.9
73.15961	1.3
75.00857	7.5
75.01244	1.1
83.01390	4.7
85.02975	7.3
87.00888	3.1
89.02433	5.2
93.03443	2.3
95.01373	3.0
96.95994	6.4
99.04517	2.0
101.02441	8.6
108.02175	1.6
109.02943	1.7
113.02471	5.9
119.04988	2.6
122.02447	2.6
123.04488	9.1
125.02451	3.7
129.01932	1.6
131.03499	1.3
137.02411	3.8
143.03441	1.5
147.04556	1.3
149.02449	1.7
149.06113	1.3
150.51103	1.3
151.00371	3.1
151.03928	3.0
153.05524	1.6
159.04512	1.8
159.10748	1.4
161.04562	2.8
161.05989	1.9
165.01872	1.9
167.03484	3.6
174.03197	7.0
175.03831	1.7
183.53766	1.3
193.06662	1.3
193.08717	3.4
194.09094	2.7
201.01964	1.4
202.02699	2.5
203.67709	1.2
205.05011	1.4
206.02231	1.7
215.03516	1.5
217.04988	3.1
221.06154	1.7
223.07657	2.7
233.06035	1.3
235.07677	1.6
237.05508	2.9
248.04698	1.8
249.05534	5.8
250.06308	1.8
251.07082	3.6
253.04945	2.2
261.05475	2.0
262.06287	1.6
263.07086	3.0
264.07874	2.0
265.04980	5.2
266.05655	1.5
267.06577	6.2
271.06226	8.4
277.05020	7.8
277.08377	1.7
278.05594	1.8
279.06577	8.9
279.10168	2.8
280.07297	1.9
282.09024	2.9
289.05069	4.1
290.05609	1.5
292.07376	3.6
293.04483	5.6
293.07990	2.2
294.05560	2.3
294.08914	14.7
295.06085	2.5
295.09149	2.2
297.08011	1.6
303.06702	1.9
305.04633	10.3
305.07922	2.3
308.06915	10.5
309.07452	3.3
309.10892	1.3
311.05841	1.6
320.06860	10.1
321.07556	1.7
322.08276	1.8
323.05453	3.8
323.09134	21.1
324.09653	1.7
326.07925	1.8
335.09067	6.5
338.07834	3.6
339.08426	1.4
341.10245	4.5
353.10272	40.9
354.10684	3.2
395.11011	2.1
403.13861	5.0
418.16315	1.6
433.18732	10.0
473.23703	1.5
474.24323	1.7
475.24487	4.5
485.16629	1.8
507.28436	1.5
517.17407	2.0
519.17944	3.4
537.33130	1.9
573.16089	4.4
588.18439	4.8
591.20764	38.0
592.21033	4.9
603.20776	100.0
604.21075	17.4
621.21802	25.5
621.31061	2.5
622.21893	5.9
624.30011	2.0
624.80957	1.8
637.33990	4.4
638.30774	3.5
681.37817	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	679.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27810	0.5
52.48457	0.5
55.01873	0.6
57.03436	1.9
58.00586	0.8
59.01378	25.2
68.99821	1.2
69.03433	0.7
70.29559	0.6
71.01379	23.7
72.99310	3.6
73.02940	1.4
75.00868	10.4
80.80490	0.5
81.03456	0.8
83.01373	1.3
85.02943	18.5
87.00874	7.3
89.02436	8.8
91.03988	0.8
95.01392	3.4
96.95984	0.9
98.19860	1.4
99.00874	5.4
99.04499	1.0
101.02448	5.0
103.00381	2.0
103.41409	0.6
113.02446	22.6
115.00335	1.5
117.01935	1.0
119.03488	1.6
129.01933	1.6
134.58510	0.6
161.13358	5.5
175.02414	1.6
187.11258	2.5
205.07106	0.9
205.12341	4.6
207.05090	1.2
229.09859	0.7
231.05122	0.9
231.10068	0.9
249.03734	1.1
249.06105	9.9
249.11270	1.2
251.26610	0.6
263.63126	0.6
267.07184	30.7
268.07703	1.3
273.12457	1.1
285.03711	0.8
310.12363	0.7
317.80096	0.6
335.12408	4.4
353.06769	0.8
409.65643	0.6
437.18326	0.6
455.19193	4.9
499.18243	12.0
499.25668	0.4
500.18616	1.2
517.19116	1.0
635.16101	1.5
679.24493	100.0
680.24799	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	679.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97525	0.7
55.01859	1.7
57.03434	3.3
58.00586	1.2
59.01379	38.1
62.50119	0.8
65.46156	0.8
68.99777	1.2
69.03455	1.0
71.01378	31.9
71.56211	0.9
72.99306	5.5
73.02927	3.6
75.00868	14.3
83.01373	2.5
85.02949	23.0
87.00871	7.1
87.54273	0.8
89.02438	13.7
91.04002	0.8
93.03434	1.3
95.01387	5.0
96.96001	1.3
99.00877	6.1
99.12895	0.9
101.02441	6.7
103.00343	1.8
111.00855	0.9
112.01690	1.0
113.02448	28.1
115.00342	1.6
117.01962	1.3
119.03490	2.4
129.01965	1.1
135.04520	1.0
137.40865	0.9
157.01439	1.3
161.02455	1.5
161.04546	1.1
161.13361	5.3
175.02422	2.9
175.03864	0.9
187.11276	5.2
205.01364	1.0
205.12332	7.5
207.05074	1.6
231.10092	1.2
249.06113	11.2
251.12802	2.3
255.02983	2.3
256.03735	1.2
267.04303	1.8
267.07193	37.3
268.07303	1.4
269.04562	1.9
281.11154	0.9
283.02505	1.0
284.03241	29.9
285.03540	3.7
299.05566	34.6
300.05826	3.5
323.15063	0.9
351.10941	1.7
353.06610	1.4
369.05780	1.0
431.19110	1.6
455.09457	1.0
455.19064	5.7
499.17700	24.3
500.18408	1.7
538.75476	1.0
575.13916	11.1
576.13763	1.1
617.14856	2.6
619.11493	1.0
636.45972	0.9
679.24457	100.0
680.15277	1.2
680.24927	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	679.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44537	0.4
55.23187	0.4
57.03441	0.4
59.01380	7.4
63.02420	0.8
69.57166	1.0
69.57584	1.9
71.01382	5.2
73.02937	1.1
75.00886	0.8
85.02951	3.1
86.11053	0.4
87.00849	0.8
89.02442	2.0
89.25484	0.4
93.03432	0.5
95.01367	0.5
96.96015	2.2
99.00871	0.7
101.02417	2.1
107.01365	0.8
113.02443	4.0
117.03442	0.9
119.03513	0.7
121.23273	0.4
130.19980	0.5
134.03682	0.4
137.02397	0.8
150.43854	0.4
151.00392	0.9
161.02356	0.6
161.04462	0.7
161.13318	1.4
175.03993	1.4
187.11263	2.5
189.84258	0.5
205.12294	1.3
219.59627	0.4
227.03409	0.8
249.06178	0.7
255.02969	25.8
256.03531	3.2
267.07248	0.9
267.10834	1.7
268.03760	1.0
269.04529	4.5
283.02469	18.4
283.05902	1.2
284.03238	71.6
285.03732	8.2
295.06052	0.6
297.04019	10.1
297.07211	0.6
298.04782	15.0
299.05576	100.0
300.05923	7.6
311.05624	1.3
323.05603	1.1
339.05078	0.7
341.06622	1.2
343.08667	0.5
351.05109	0.5
353.06454	1.2
369.06137	1.0
383.07700	1.1
443.09964	1.0
455.09848	1.1
461.10669	0.8
483.15210	0.9
499.22321	5.1
507.34613	0.5
515.11627	0.7
575.14026	86.6
576.14319	10.2
617.15045	2.7
619.13104	1.2
635.15845	1.2
637.14368	0.8
678.24835	0.5
679.14923	2.3
679.26398	5.8
680.15704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
59.01375	2.7
63.02393	0.8
65.00327	0.8
69.42110	2.2
69.42441	0.4
71.01377	5.4
72.99306	7.9
75.00853	0.5
83.01395	1.7
85.02937	2.9
87.00896	0.9
89.02454	0.3
95.01379	0.7
96.96003	0.8
99.00857	0.6
105.03465	0.3
107.01360	1.6
109.02934	0.6
109.07392	0.3
113.01710	0.5
113.02445	5.7
115.00355	0.8
117.03449	1.0
121.02966	0.8
124.67623	0.3
131.03526	0.3
133.01396	0.4
133.02942	5.7
135.04504	0.4
147.04556	0.4
149.02438	1.9
151.00343	3.4
154.13795	0.3
161.02501	0.4
163.00378	0.3
171.04521	0.6
175.02513	0.4
175.03960	3.2
177.01784	0.4
185.06081	0.6
190.02711	0.3
197.06131	0.4
199.03972	1.9
201.01895	0.9
205.05040	0.9
213.05548	0.4
217.05078	0.8
240.04169	0.5
241.05026	0.6
243.02882	0.6
282.05347	0.5
283.05945	0.5
284.03275	3.2
285.04019	100.0
286.04355	8.3
289.05603	4.9
290.06085	0.4
295.06171	1.0
296.06955	0.4
297.04019	1.5
297.07675	2.4
298.04785	0.7
305.43546	0.3
307.05933	0.5
309.03961	0.4
311.05450	0.3
323.05539	0.4
325.07086	1.3
327.04901	1.4
333.04568	0.5
337.07175	0.8
339.05240	0.5
351.05438	0.9
353.06631	6.7
354.07053	0.4
365.06882	0.6
381.05951	0.4
383.07663	3.2
393.06741	2.3
395.08005	0.4
413.08652	0.4
441.08182	2.4
442.08606	0.4
443.06174	0.8
457.17099	1.2
473.10846	1.6
503.11938	0.6
515.12012	0.5
575.10339	21.6
576.10510	3.4
593.15088	5.0
594.15503	1.0
619.09363	1.3
635.16071	9.9
636.16486	1.1
637.10425	0.4
679.11371	2.2
680.11475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92234	5.3
58.55954	4.8
59.01382	44.1
61.98837	25.3
71.01379	6.8
71.55806	7.4
75.45952	5.0
85.02961	6.1
88.16859	5.8
96.96017	9.4
100.44281	5.6
113.02451	9.7
125.84834	6.5
147.55644	5.6
152.99521	6.3
163.09282	5.5
167.03462	8.2
192.65781	5.7
211.13419	100.0
447.22223	15.7
623.34625	38.9
641.35028	18.2
677.33038	33.9
678.33386	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	677.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43307	0.4
57.03445	0.5
59.01379	100.0
60.01695	0.6
69.77411	0.4
70.56363	1.2
71.01382	10.0
72.99332	0.6
73.02950	3.5
76.18509	0.4
81.03437	0.5
83.01395	1.4
85.02950	5.2
87.00903	0.5
89.02436	0.8
93.03503	0.5
95.01399	0.8
96.96037	0.8
99.00897	1.8
101.02442	6.5
105.76878	0.4
113.02442	5.2
125.02457	0.6
127.11333	0.6
143.03513	0.6
155.28015	0.4
161.04607	2.2
161.96652	0.4
183.13901	4.5
289.16595	9.4
290.16998	0.6
301.16589	3.0
331.17661	5.2
332.18152	0.5
341.37775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83597	4.1
59.01378	22.6
61.98814	10.9
69.48927	4.1
69.50259	24.5
69.50673	9.2
71.01369	4.8
85.02917	4.4
96.95996	14.3
101.02436	6.7
104.28144	4.0
113.02475	4.9
133.69946	3.7
143.08078	4.0
211.13390	100.0
211.15387	5.4
212.13722	7.4
220.14413	4.8
221.15431	8.2
236.10532	7.4
265.10379	4.8
265.66522	3.9
275.05539	4.0
293.17422	4.3
387.25278	5.2
405.25943	5.1
429.20837	6.6
447.22034	13.7
507.00455	4.5
550.69562	4.6
623.34460	40.3
641.35486	22.6
677.33173	41.2
678.33514	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	677.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44809	2.0
59.01377	22.9
61.98822	9.9
70.45956	7.7
78.95895	2.7
92.80692	2.0
96.35452	2.4
109.38017	1.9
123.03078	1.9
175.30203	1.8
176.01299	1.8
192.04265	1.8
319.29153	2.3
454.50861	2.0
481.14767	9.2
495.16544	3.8
540.16272	5.8
555.18878	17.4
556.18304	4.3
572.15582	4.1
574.67584	2.2
609.39514	2.1
627.21161	3.5
641.22668	21.4
642.23059	4.9
677.20166	100.0
678.20386	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	677.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76683	0.6
58.00578	1.0
59.01378	100.0
60.01704	0.6
66.42293	0.6
70.63190	0.6
71.01381	39.7
72.01735	0.7
72.99326	1.8
73.02945	16.4
81.03458	0.7
83.01389	6.4
85.02950	15.5
87.00856	3.3
89.02441	14.8
91.64196	0.6
95.01379	4.6
96.96035	1.5
97.02987	2.0
98.20656	2.5
99.00852	3.3
101.02439	17.8
111.00925	0.9
111.44185	0.6
112.47086	0.6
113.02447	32.0
119.03509	4.0
124.01654	2.2
125.02458	4.4
131.03580	1.1
137.09740	2.0
137.28001	0.7
140.66411	0.6
143.03470	5.2
144.38646	0.6
149.04582	0.8
158.61203	0.6
161.04561	9.3
179.05634	2.7
189.13028	0.6
189.28618	0.6
202.69789	0.7
203.05606	0.7
215.74120	0.7
311.05734	1.0
369.19299	2.8
387.20596	0.9
431.10211	0.9
447.09250	0.7
495.22400	0.9
513.23370	22.0
514.23840	2.6
531.24432	46.4
532.24719	7.1
549.25372	9.2
549.32440	0.7
550.26129	1.1
573.25415	22.1
574.25696	3.2
591.26471	19.5
592.27039	3.2
633.27600	6.1
677.26489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70022	0.1
57.03443	0.2
58.02978	0.1
59.01377	0.7
61.98812	0.3
71.01387	0.2
73.02961	0.1
75.00885	0.1
79.95734	3.1
86.53318	0.1
89.02464	0.2
96.96005	100.0
97.95956	0.3
99.04518	0.1
101.02422	0.2
134.03728	0.3
146.03748	0.1
149.02538	0.1
149.06125	0.2
157.59882	0.1
162.14401	0.1
163.03937	0.1
164.07135	0.3
175.03986	0.2
179.06984	0.1
193.05103	0.2
206.08147	0.6
238.01340	0.1
246.06860	0.1
297.03867	0.1
309.09924	0.1
311.05637	0.1
313.07205	0.1
339.05215	0.1
354.56561	0.1
369.06161	0.4
399.07202	0.3
429.08344	0.1
519.11139	0.1
531.24231	0.1
579.13464	1.7
580.13287	0.1
677.10565	0.2
677.22729	0.3
681.96667	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	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33872	0.2
55.01876	1.6
57.03447	1.2
58.00595	2.0
59.01380	45.3
60.01713	0.4
61.98830	0.9
62.71772	0.2
67.01908	0.4
68.99820	0.6
69.03462	2.8
71.01381	40.1
72.01730	0.4
72.99312	2.9
73.02947	7.1
75.00877	0.9
78.95916	0.5
81.03459	2.0
83.01389	5.3
83.05038	0.4
85.02953	8.9
86.00114	0.5
87.00875	9.6
87.04498	0.4
88.01314	0.2
89.02444	36.2
90.02822	0.3
91.04020	0.8
93.03469	0.6
95.01395	3.2
97.02949	6.6
97.96179	0.2
98.20694	0.3
99.00880	2.4
99.04521	0.4
100.70751	0.2
101.02443	35.5
102.02780	0.7
103.04015	0.5
107.05004	0.2
109.02964	0.8
111.00872	0.8
111.04524	1.4
113.02451	16.7
114.02789	0.3
115.04031	0.8
119.03496	10.4
120.03826	0.3
121.02956	0.6
123.00893	0.5
123.04568	0.3
124.01643	0.6
125.02448	13.6
126.02771	0.3
126.63285	0.2
127.04011	0.6
127.07666	0.3
129.01949	0.4
131.03528	1.7
133.05092	1.2
135.04532	0.2
137.02483	0.3
139.03989	1.1
141.01952	0.9
143.03499	6.3
145.05083	0.3
149.02501	0.3
149.04486	1.3
151.04034	0.3
152.99579	0.4
157.05048	0.4
161.04556	8.5
161.96507	0.3
167.03506	0.9
169.05003	0.4
171.02980	0.4
179.03406	0.3
179.03795	0.3
179.05609	7.3
185.04541	0.8
199.06139	0.7
203.05589	0.4
217.07138	1.4
219.05188	0.3
221.06622	2.3
233.22798	0.6
235.08208	16.0
236.08563	0.5
245.06593	0.7
253.09288	4.0
254.09682	0.4
259.08115	0.3
259.20651	0.3
263.07672	1.5
275.20145	0.5
277.09607	1.1
277.21704	100.0
278.22061	8.4
282.82166	0.2
287.07730	3.6
291.23309	0.3
305.08783	3.5
306.09039	0.4
323.09769	2.0
361.11322	0.6
379.12546	1.3
397.13486	96.3
398.13815	6.8
415.14557	39.3
416.14819	3.0
593.27045	0.4
675.35406	0.5
696.90021	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3587
Annotation	Hirsutatin A
Peak:m/z	Relative Intensity
57.03456	1.8
59.01368	8.6
61.98827	2.4
68.47384	1.1
71.01377	5.2
71.47346	2.1
73.02924	1.5
73.62733	1.1
74.64316	1.1
83.01399	1.6
85.02933	1.5
89.02430	2.4
96.95983	4.2
98.20046	1.1
99.36305	1.1
101.02429	4.1
108.74329	1.2
113.02477	3.5
161.04515	1.6
165.12790	8.6
167.14381	27.4
183.13882	38.0
184.14128	1.3
209.11746	2.3
211.13377	38.6
212.13678	2.8
227.12845	3.9
229.14427	47.9
230.14790	3.2
253.09328	2.5
447.21829	1.4
463.21954	3.2
465.23209	4.4
619.31067	3.3
631.36493	4.5
657.35046	2.5
675.35895	100.0
676.36255	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	675.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
56.21079	0.2
57.03444	1.0
58.00592	1.9
59.01377	43.0
60.01691	0.3
61.98827	0.5
67.67730	0.2
68.32069	0.2
68.99826	0.4
69.03445	2.3
71.01380	39.5
71.56271	0.3
72.01728	0.5
72.99308	3.7
73.02947	6.2
75.00874	0.8
81.03451	2.1
83.01383	4.5
83.05047	0.6
85.02948	8.8
86.00097	0.5
87.00873	9.7
87.04472	0.3
88.58736	0.2
89.02442	35.4
90.02757	0.6
91.04019	0.7
93.03452	0.3
95.01388	2.8
95.05018	0.3
96.96015	0.3
97.02950	6.4
99.00876	2.3
99.04517	0.4
101.02438	32.8
102.02754	0.6
103.00383	0.3
103.04036	0.6
109.02949	0.7
111.00900	0.6
111.04512	1.5
112.01697	0.3
113.02446	15.5
114.02767	0.4
115.03984	0.7
119.03497	10.7
120.72120	0.2
121.02935	0.6
121.12118	0.2
123.00867	0.2
123.04560	0.5
125.02443	12.3
126.02755	0.4
127.03983	0.4
127.07641	0.5
129.01959	0.3
131.03519	1.5
133.05078	1.3
135.04477	0.2
137.02420	0.4
139.04001	1.0
141.01955	0.8
143.03496	7.3
143.04610	0.4
149.02425	0.3
149.04562	1.4
157.05110	0.4
161.04547	8.1
164.62373	0.2
167.03506	0.9
169.04977	0.6
171.03029	0.4
179.05609	7.3
185.04524	0.6
199.06158	0.6
203.05612	0.4
217.07162	1.3
219.05087	0.5
221.06619	2.4
233.22755	0.4
235.08211	15.9
236.08498	0.5
245.06721	1.2
249.97282	0.3
253.09244	4.0
259.20505	0.4
263.07684	1.8
275.20020	0.4
277.09543	1.1
277.21695	100.0
278.22043	8.3
284.66190	0.2
287.07639	4.1
291.23203	0.4
305.08752	4.5
306.09000	0.3
323.09732	1.9
361.11581	0.7
379.12625	1.2
397.13474	90.1
398.13818	6.4
415.14539	38.1
416.14822	2.9
538.06335	0.3
675.35364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03451	0.8
59.01375	4.3
61.98829	0.4
70.60481	0.4
70.60828	0.6
71.01379	3.7
73.02937	1.3
77.11280	0.3
83.01373	0.7
83.05035	0.5
85.02959	1.1
87.00871	0.9
87.09248	0.3
89.02435	2.9
95.01367	0.4
97.06586	0.3
99.00916	0.4
100.46255	0.3
101.02444	3.8
109.06578	0.5
111.08178	1.1
113.02461	1.6
119.03473	0.6
130.05588	0.3
130.76703	0.3
133.05109	0.5
145.05070	0.6
161.04555	1.0
163.11285	0.4
165.12833	12.0
166.13208	0.6
179.05626	0.5
183.13884	100.0
184.14226	4.7
209.11768	1.9
211.13379	1.3
225.11290	0.6
226.19464	0.3
227.12883	5.7
235.08185	1.4
253.09215	2.5
273.77020	0.3
315.90350	0.3
445.20624	1.2
463.21768	3.5
464.21841	0.4
511.29285	1.4
610.06970	0.3
629.35254	4.9
630.36047	0.5
637.31403	0.3
655.33105	3.2
656.33759	0.4
673.34302	71.1
674.34656	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	675.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27209	1.3
57.03441	1.8
59.01377	26.9
61.83241	1.6
61.98816	6.2
62.00184	1.3
62.27057	1.6
65.06406	1.2
68.93162	1.2
71.01374	11.8
71.23519	1.3
73.02935	5.3
80.05060	6.3
83.01391	3.0
85.02947	4.2
87.00864	3.1
88.98810	1.9
89.02444	6.7
93.03450	7.4
94.02965	3.0
94.03775	1.7
94.06631	3.3
96.96008	17.8
98.02480	1.5
98.19956	1.3
99.00882	3.1
101.02437	9.0
104.05017	4.1
106.06626	2.9
107.03770	2.2
108.04536	3.4
113.02422	4.7
115.00411	1.8
119.03453	1.8
120.08157	2.4
121.05263	1.9
122.06123	24.6
124.04018	4.8
125.02448	3.9
129.54269	1.3
132.04559	2.8
134.06099	5.3
136.04018	4.7
137.02435	14.1
137.04776	1.5
138.02795	2.5
138.05598	5.8
139.02792	2.3
147.05580	3.2
148.03996	3.7
150.03148	1.7
150.05595	11.7
152.07164	42.1
161.04559	4.1
164.07077	2.5
174.05550	2.8
175.02451	3.5
175.05069	3.2
190.05058	3.4
192.06685	2.0
193.08691	1.7
201.10304	14.4
213.10223	8.1
223.06111	3.2
224.09511	2.9
225.10226	1.8
227.11870	6.2
229.09818	16.6
229.13385	7.0
237.10213	2.3
239.11865	6.7
241.09752	1.7
245.12917	8.9
251.11417	1.8
253.04945	1.8
255.11299	6.8
257.12900	5.3
267.11377	2.8
273.12476	5.4
277.09726	2.2
283.10306	1.9
289.11896	5.1
295.10767	3.6
301.11975	16.9
305.08621	2.0
309.12567	1.8
311.05695	1.4
313.11813	4.2
319.12958	74.9
320.13171	6.4
323.10309	5.8
327.13419	4.2
337.11591	1.9
344.14243	1.7
355.12878	5.7
358.11707	1.6
359.13196	2.1
360.13516	1.7
374.14978	13.4
391.15341	3.2
392.16074	10.6
400.12894	2.2
403.14880	2.5
406.18109	1.6
416.16263	7.3
418.14120	2.0
434.17377	7.0
446.16983	2.5
525.25714	1.6
539.23328	2.7
552.52850	1.5
557.24066	14.5
558.24615	2.8
571.26013	2.0
581.24054	3.7
599.25092	69.2
600.25513	10.5
602.23767	2.7
624.30438	2.6
625.22925	2.9
639.35443	2.2
643.24023	100.0
644.24255	19.4
675.26355	43.6
676.27838	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	673.18
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00476	0.1
69.42171	0.5
69.42587	0.3
69.76945	0.1
73.98923	0.1
79.95267	0.1
79.95686	1.7
95.95243	0.2
96.96003	75.1
97.95948	0.2
109.56510	0.1
153.83221	0.1
156.50983	0.1
222.78490	0.1
225.07996	100.0
226.08315	4.2
262.53525	0.1
297.03995	0.2
327.04965	0.6
357.06158	0.3
374.72284	0.1
447.09222	0.4
672.17236	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
57.03450	2.7
59.01377	100.0
61.98818	4.3
69.39836	11.4
69.40157	2.5
71.01375	20.2
72.99300	1.6
73.02942	9.5
75.00893	1.6
80.91673	4.4
83.01390	6.7
83.05003	1.9
85.02953	12.8
87.00880	2.0
89.02456	3.1
93.07105	2.0
95.01415	2.5
96.96007	9.6
96.96542	1.4
97.02969	2.1
98.19966	3.9
99.00890	4.2
101.02431	18.7
111.00863	2.7
113.02427	13.3
125.02427	1.7
141.01694	30.4
146.94749	1.5
159.02979	1.6
161.04547	3.7
171.10219	3.4
202.94394	1.4
209.11806	29.5
211.13239	2.1
213.18538	4.6
222.43153	1.6
227.12849	6.4
253.09357	2.8
271.02524	2.2
300.02811	2.8
301.03717	2.8
302.03677	1.5
335.24615	2.6
343.28052	2.4
357.22803	3.7
375.23926	6.4
469.30908	2.9
487.32742	81.4
488.33145	11.0
505.33786	24.3
505.80032	1.7
506.34100	3.9
509.30234	5.4
527.31384	7.0
540.27405	5.7
540.78180	3.3
547.34772	20.5
548.35040	2.7
569.32544	5.7
617.78162	1.8
629.38629	1.8
673.24438	2.6
673.34894	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	673.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16677	0.1
59.01375	0.6
61.98827	1.7
65.27824	0.1
65.65378	0.1
69.06770	0.2
70.05988	0.1
71.01379	0.5
71.58097	0.2
74.69234	0.1
79.95734	3.8
85.02943	0.1
96.96005	100.0
97.95940	0.3
101.02444	0.3
110.68843	0.1
113.02471	0.2
121.02959	0.1
134.03752	0.1
135.04520	0.3
137.02422	0.2
158.60115	0.1
159.68594	0.1
161.02437	0.1
165.05464	0.1
179.03506	0.1
193.05081	0.2
218.34644	0.1
219.30086	0.1
283.10251	0.1
335.07336	0.1
335.22275	0.2
353.06711	0.3
353.10596	0.1
362.17111	0.2
505.20956	0.2
506.21103	0.6
524.22394	0.2
566.23444	0.2
575.14026	1.2
607.20703	0.4
619.20441	0.5
637.21576	0.6
638.21777	0.2
673.25970	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	672.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21264	1.1
57.03455	2.0
59.01380	2.5
61.98824	2.6
71.01363	2.1
71.26994	1.8
72.84644	1.1
75.56598	1.1
79.49963	1.1
88.04050	7.2
90.70176	1.0
96.96002	3.1
101.02427	1.2
109.02944	1.7
115.00384	1.6
119.04988	1.2
123.04592	1.1
125.02452	18.7
126.02767	4.4
132.03033	7.6
133.02910	5.6
151.04013	1.2
152.23933	1.0
171.13492	1.1
175.04057	1.6
177.02019	1.5
191.03540	1.4
205.05115	1.4
218.81812	1.0
233.04430	1.1
250.07098	6.4
257.14966	1.2
297.03961	2.5
298.04858	5.6
299.05588	2.7
311.05573	4.6
312.06259	4.8
313.07071	7.0
323.05701	2.0
327.05017	3.6
339.05072	7.9
341.06549	4.7
353.06680	2.6
369.06107	33.7
370.06458	3.4
381.06259	3.3
399.07138	25.4
400.07678	1.4
411.07324	5.9
429.08319	5.1
432.13123	1.2
441.08026	2.5
449.11038	5.9
450.11163	8.6
471.09628	1.9
489.10342	14.3
519.11462	2.2
609.14575	100.0
610.14911	14.0
612.16400	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	671.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94839	0.2
59.01374	1.4
61.48035	0.2
61.98812	0.4
62.06221	0.2
65.03965	0.8
69.33167	1.5
71.01370	0.6
72.99298	0.2
73.02944	0.4
75.00869	0.3
85.02946	0.4
89.02405	0.4
93.03452	53.1
94.03780	1.6
96.96003	1.3
101.02439	0.4
113.02457	0.2
121.02959	0.7
122.03720	0.5
123.04504	0.3
125.02348	0.2
132.02156	0.6
133.02956	0.3
134.03728	1.5
135.04518	0.2
137.02435	100.0
137.92999	0.2
138.02768	3.4
143.03392	0.2
149.02438	1.3
149.06102	0.2
150.03220	4.2
151.03900	0.2
153.05536	0.2
160.01656	3.0
161.02264	0.2
164.04683	0.3
165.05554	2.6
166.05896	0.2
175.03983	3.2
178.02748	0.3
180.04219	0.2
181.05197	0.2
186.89659	0.2
193.05035	0.7
195.06599	1.0
207.59882	0.2
213.14929	1.5
240.64949	0.2
337.09198	0.6
341.10266	0.5
397.13452	0.9
398.68301	0.2
415.14569	0.7
431.13300	1.2
432.13382	0.3
567.30072	0.2
627.31787	0.4
670.42474	0.2
671.20178	2.3
671.33942	0.7
672.20276	0.4
682.50415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64719	1.0
56.88023	1.0
57.03433	3.1
58.00581	3.5
59.01378	95.0
61.98837	6.1
68.68688	1.4
71.01379	35.8
72.99300	3.0
73.02943	4.6
83.01398	3.2
85.02951	10.9
87.00897	1.3
89.02443	28.7
89.03008	1.5
95.01393	4.4
99.04515	15.5
99.65607	1.1
101.02443	22.7
113.02447	14.2
119.03484	11.2
143.03491	1.9
150.03163	1.5
161.04565	7.3
165.05441	1.4
165.12785	2.3
179.05623	6.3
189.12875	5.3
207.13857	11.3
209.11818	49.9
209.13797	2.5
210.12138	2.2
237.09811	8.2
251.12807	3.6
269.13977	1.3
279.10980	1.7
291.10010	1.2
329.13940	4.9
389.18182	6.2
405.98001	1.2
431.19135	1.9
471.22263	11.0
472.23245	1.4
489.23413	80.6
490.23764	9.9
651.28436	3.0
669.29791	100.0
670.30127	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	667.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.1
61.98828	2.2
62.79037	0.6
69.19991	2.7
69.20424	3.2
70.90749	0.8
71.01379	1.9
84.19037	0.6
89.02466	0.6
90.90768	0.6
94.99399	0.7
96.95992	1.7
98.20616	1.3
101.02470	1.1
119.05040	1.1
122.03766	2.6
123.04523	51.2
124.04884	1.6
137.02399	1.4
148.77644	0.6
151.04083	0.7
153.05573	100.0
154.05927	3.3
161.04411	0.7
182.55673	0.6
189.01672	8.9
251.11446	1.2
265.12686	0.8
293.12518	1.3
315.10831	61.0
316.11160	4.6
316.81476	0.7
333.10855	0.8
351.08524	4.8
352.09097	0.7
466.13931	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.0
63.16501	0.9
65.00342	0.9
65.37277	0.8
66.72264	0.8
71.01380	4.6
71.55416	1.3
71.57335	0.8
75.00841	1.2
83.01380	1.8
85.02946	3.2
89.02437	3.3
93.03477	2.0
96.43071	0.8
96.95985	1.3
99.00904	1.0
101.02441	3.1
102.28806	0.8
105.73258	0.8
107.01391	1.1
109.02954	0.9
111.13995	0.9
113.02448	2.1
117.03436	2.0
119.05020	0.9
121.02977	3.7
122.03716	5.4
123.04548	0.9
125.02415	0.8
132.02158	7.6
133.02962	2.5
134.03735	27.9
135.04518	7.7
135.06651	1.0
136.04884	1.2
137.02461	1.5
147.04509	1.0
149.02415	9.0
149.06085	5.4
150.03212	28.9
151.00365	5.9
151.03665	1.0
152.00703	2.4
160.01651	48.6
161.02104	2.1
163.03969	1.2
164.04778	3.0
165.01935	3.2
165.05556	22.7
166.05885	1.1
175.03987	60.4
176.04533	4.3
177.05508	1.2
178.02660	2.6
180.04295	2.5
191.07091	4.4
193.05038	30.4
193.06807	1.6
194.08443	0.8
195.06589	11.0
207.06602	2.1
225.07718	1.0
235.06093	7.0
249.06255	1.0
250.06300	1.2
265.07214	1.1
276.53333	0.9
282.09009	2.9
287.05606	1.8
295.08136	1.4
327.05078	1.0
341.10263	11.1
342.10394	1.8
371.11511	2.4
383.11435	1.7
389.12454	2.7
396.92581	0.9
396.98648	0.9
422.12903	0.9
443.15369	3.7
452.64526	1.1
473.16608	100.0
474.17099	11.1
565.14813	4.2
609.13672	1.1
621.21851	5.5
669.23883	15.2
670.23474	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85964	0.6
57.03449	1.2
59.01374	5.2
61.98820	1.2
63.02382	0.7
65.00319	0.8
71.01379	20.5
72.99304	14.3
73.02972	0.8
75.00861	0.7
83.01393	1.3
83.64653	0.7
85.02940	4.6
87.00867	1.8
88.99436	0.6
89.02435	1.8
93.03463	1.1
96.96003	5.9
98.95551	1.0
99.00863	1.6
101.02442	1.8
107.01379	1.7
107.25222	0.7
111.00898	0.6
113.02438	8.2
114.02772	1.4
115.00371	17.7
117.03429	1.1
119.05022	49.8
120.05344	1.7
127.76100	0.6
131.03442	0.8
132.03023	0.9
133.01424	48.1
141.10381	0.6
147.04546	1.6
151.00360	5.5
163.04001	100.0
164.04321	4.2
164.07185	3.3
165.05536	1.0
167.03412	0.7
175.00377	0.9
175.02347	0.8
175.03871	0.7
178.32266	0.7
190.02634	1.1
195.06595	0.9
206.08200	5.5
223.06049	0.9
269.04498	16.0
270.04831	9.1
271.05429	9.6
279.05054	8.7
279.14395	1.0
280.08316	0.9
289.05621	5.9
290.06018	1.7
291.06195	1.6
393.06769	2.5
459.12988	0.8
561.11804	4.9
593.15063	1.2
603.13110	1.2
621.13849	0.9
665.24731	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	667.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26707	0.3
56.67448	0.3
57.03434	0.5
59.01387	2.5
63.02393	0.9
64.97858	0.3
65.00320	13.0
69.37360	2.7
71.01391	1.2
75.00891	0.4
75.31401	0.3
83.01380	5.2
85.02951	1.4
87.00877	0.7
88.98816	0.3
96.96031	0.5
97.02990	0.4
98.19762	0.6
99.00880	0.9
101.02435	0.3
107.01384	20.5
107.04984	0.6
108.02262	0.4
108.99321	0.4
109.02956	3.3
113.02453	2.2
113.95563	0.3
115.00402	0.4
117.03484	0.5
121.02967	0.4
125.02446	6.4
126.80302	0.3
133.02942	1.1
134.03725	1.7
135.04521	74.6
136.01605	0.6
136.04863	2.8
137.02422	0.5
151.00360	100.0
152.00688	3.4
157.01425	0.6
159.04572	0.4
160.01558	0.3
161.02414	2.7
163.04037	0.4
164.01143	0.9
165.01944	3.2
169.01410	1.0
175.00323	2.6
177.01956	1.7
179.03548	0.3
193.01366	2.3
195.06628	0.3
196.00079	0.6
201.05620	0.4
205.01408	0.9
217.01398	0.5
235.02422	2.7
242.74124	0.3
269.04480	1.0
275.07761	0.4
287.05597	26.9
288.05945	2.2
295.04562	0.7
301.07141	1.2
307.04559	1.9
325.05478	1.1
329.06647	0.9
353.06686	0.4
375.48792	0.3
401.95822	0.3
427.03354	0.6
427.08768	8.8
427.14606	0.5
428.09003	0.5
463.12256	0.7
487.98593	0.4
491.12378	0.5
505.13251	0.7
563.14026	52.9
564.14368	6.1
577.15204	1.2
607.13019	11.5
608.13739	1.6
625.14032	1.0
636.69043	0.3
661.14941	0.3
667.14948	10.0
668.15326	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	665.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25575	0.9
59.01376	9.8
61.98823	3.4
66.24294	0.9
71.01389	5.2
73.02934	1.8
83.01345	1.1
85.02944	2.6
88.98862	1.5
89.02434	2.4
90.06296	0.9
95.05046	1.0
96.96011	1.6
98.20722	3.0
99.27226	1.0
101.02441	3.5
109.02925	2.3
113.02443	1.9
119.03506	1.2
123.00845	1.6
125.02427	1.4
132.02112	1.1
137.02435	7.4
148.45819	1.3
149.02425	1.2
151.00354	12.8
151.46922	1.0
152.01094	1.7
152.04787	2.4
152.85622	1.0
161.04549	1.3
166.02698	48.7
167.03380	3.0
175.03952	2.0
177.01938	3.3
181.05060	59.7
182.05408	2.3
184.03799	1.1
192.04230	1.1
193.04868	1.2
207.06560	1.2
230.90895	1.5
251.11256	1.1
255.06615	1.1
269.04495	10.2
323.30011	1.2
353.10193	2.8
387.10791	12.2
398.99371	1.0
402.13089	5.1
417.15512	100.0
418.15817	10.2
665.26215	4.5
690.07056	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	663.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27999	0.7
55.01884	0.8
57.03437	1.3
58.41875	0.7
59.01376	57.8
59.75646	0.7
61.98820	2.6
63.08579	0.7
63.43840	0.7
70.95701	1.0
70.96021	1.3
71.01379	8.4
72.99297	2.2
73.02939	2.1
75.91644	0.8
79.95752	0.8
83.01398	1.9
83.05003	1.3
85.02960	3.2
85.35271	0.6
89.02442	2.7
93.03458	1.3
94.02988	1.6
94.06629	1.0
95.01398	1.5
95.04993	0.9
96.96001	13.6
98.02471	2.7
99.04505	1.1
101.02435	4.2
108.04546	0.9
110.02460	6.2
110.06121	3.9
111.04527	7.6
113.02457	4.6
119.03528	1.3
120.08185	5.2
121.02940	0.9
122.02468	1.2
122.06136	6.5
123.04537	1.0
124.04012	1.6
125.02438	1.6
136.04021	2.6
137.02438	2.2
138.01956	1.0
138.05612	2.4
139.00500	0.9
144.04523	1.5
147.05624	1.1
150.05627	4.2
151.00340	0.8
152.03503	5.7
152.48543	0.7
154.05084	2.4
161.04637	2.3
168.06627	2.2
174.05598	6.2
175.05179	1.1
179.17470	0.7
201.10278	4.8
203.05849	2.0
211.08778	0.9
213.10341	3.2
226.11246	0.9
227.08282	0.9
227.11888	2.9
229.09802	7.2
229.13387	3.0
237.10210	1.9
239.11809	1.9
241.09824	1.0
251.11887	0.9
253.05176	1.1
255.11368	5.2
257.09448	1.4
257.12964	3.6
264.09128	1.1
269.04471	6.7
269.09058	0.9
273.12457	3.1
274.58917	0.8
275.14282	0.8
277.09787	1.0
278.10516	1.3
279.11292	1.7
281.08691	0.9
283.10910	3.7
287.10312	1.0
289.05618	1.2
293.12830	2.5
294.13721	0.7
295.10736	0.9
299.11185	1.3
301.11893	19.5
302.12216	1.8
309.07672	5.9
309.11829	1.5
311.10406	3.5
312.11191	2.9
313.11835	2.5
315.13861	0.8
317.11493	1.4
319.12991	23.5
320.13470	1.5
323.09244	2.5
324.10025	3.7
325.11636	1.0
339.12332	22.4
340.12750	2.0
343.13043	3.8
344.13953	1.1
346.15759	0.9
353.10172	1.4
367.10211	1.9
371.12500	1.2
372.13187	1.5
376.16861	1.2
386.15173	5.9
387.15680	1.3
388.16556	2.0
395.11273	1.4
400.12885	2.4
404.16254	2.5
409.11377	0.9
412.16928	1.3
414.14404	5.5
419.14951	1.3
428.16147	2.9
429.16895	2.5
432.09222	0.9
432.14993	1.6
437.16046	1.4
442.13983	0.9
446.17395	1.6
527.23163	2.6
545.24103	6.2
551.23383	1.4
569.23981	8.0
587.25049	16.3
588.25201	1.9
590.23785	1.5
601.15381	1.0
613.22803	3.4
631.24023	17.4
632.24237	2.4
645.25189	3.7
646.25909	1.0
663.26654	100.0
664.27057	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	663.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03437	1.5
59.01112	1.4
59.01378	22.6
61.98544	1.0
61.98825	16.5
67.01855	1.0
71.01379	16.0
71.56643	1.3
72.99313	4.4
73.02930	2.9
75.00860	1.6
79.52396	0.9
83.01373	2.4
83.05018	0.9
85.02938	5.7
87.00886	1.8
89.02438	7.1
89.19536	0.8
94.02986	1.6
95.01346	1.7
95.05020	0.9
96.95995	9.9
98.02464	2.2
101.02431	9.8
106.06597	1.4
107.04978	1.0
110.02466	4.2
110.06123	4.6
111.04489	7.7
113.02443	8.4
116.92829	0.8
119.03490	2.4
119.04995	3.0
120.08202	5.4
120.25758	0.8
121.05319	1.1
122.06115	7.5
124.04044	1.8
125.02441	1.6
136.04010	3.3
138.05574	2.6
143.03441	1.5
147.05617	1.3
150.05586	4.6
152.03514	5.9
154.05075	2.2
156.18536	0.8
160.04060	1.1
161.04599	3.5
161.13327	3.7
162.05551	0.8
163.03947	2.5
168.06688	1.4
171.03259	0.8
174.05643	4.9
175.02472	0.9
179.05534	1.5
187.06284	1.1
187.11243	5.9
201.10280	5.2
202.40192	0.9
203.05788	2.4
205.12238	3.3
213.10303	2.3
227.11862	3.5
228.12622	0.9
229.09825	6.6
229.13379	2.4
237.10231	1.7
239.11816	1.8
241.10078	0.9
251.11433	4.1
255.11369	5.7
257.09290	1.8
257.12933	2.0
269.04559	5.4
269.45801	0.9
270.04877	1.2
273.12433	3.0
276.15027	1.0
277.09705	2.4
279.11310	1.9
283.10904	2.7
289.05643	1.0
293.12735	2.2
295.10919	1.3
301.11914	16.8
302.12256	1.4
311.10449	4.3
312.11118	1.8
313.11978	1.2
317.11298	1.1
319.12988	18.9
320.13431	1.7
325.12119	1.1
343.13071	2.7
356.10034	1.2
358.15756	2.1
360.16983	1.1
371.12421	1.0
372.13379	1.1
376.16669	2.0
386.15051	4.7
387.15417	1.9
388.16412	1.6
400.12277	1.0
400.16891	1.8
404.15866	2.1
412.16443	1.4
414.14600	5.6
419.14911	1.3
428.16028	2.4
429.16876	2.7
432.15240	2.0
439.23703	1.6
446.16846	1.1
447.18201	1.0
483.22284	18.4
484.22873	1.5
527.23126	2.8
543.26849	1.4
545.23877	6.6
551.22894	1.5
559.11847	1.2
561.29370	1.1
569.23938	7.1
581.84552	1.1
587.25146	10.4
588.25104	2.0
611.31635	0.9
611.80872	1.8
613.23309	4.0
619.27429	1.6
631.23877	14.1
632.24451	2.6
632.81018	1.3
633.24396	1.3
645.25665	5.2
663.26831	100.0
664.27136	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	663.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03437	1.5
59.01112	1.4
59.01378	22.6
61.98544	1.0
61.98825	16.5
67.01855	1.0
71.01379	16.0
71.56643	1.3
72.99313	4.4
73.02930	2.9
75.00860	1.6
79.52396	0.9
83.01373	2.4
83.05018	0.9
85.02938	5.7
87.00886	1.8
89.02438	7.1
89.19536	0.8
94.02986	1.6
95.01346	1.7
95.05020	0.9
96.95995	9.9
98.02464	2.2
101.02431	9.8
106.06597	1.4
107.04978	1.0
110.02466	4.2
110.06123	4.6
111.04489	7.7
113.02443	8.4
116.92829	0.8
119.03490	2.4
119.04995	3.0
120.08202	5.4
120.25758	0.8
121.05319	1.1
122.06115	7.5
124.04044	1.8
125.02441	1.6
136.04010	3.3
138.05574	2.6
143.03441	1.5
147.05617	1.3
150.05586	4.6
152.03514	5.9
154.05075	2.2
156.18536	0.8
160.04060	1.1
161.04599	3.5
161.13327	3.7
162.05551	0.8
163.03947	2.5
168.06688	1.4
171.03259	0.8
174.05643	4.9
175.02472	0.9
179.05534	1.5
187.06284	1.1
187.11243	5.9
201.10280	5.2
202.40192	0.9
203.05788	2.4
205.12238	3.3
213.10303	2.3
227.11862	3.5
228.12622	0.9
229.09825	6.6
229.13379	2.4
237.10231	1.7
239.11816	1.8
241.10078	0.9
251.11433	4.1
255.11369	5.7
257.09290	1.8
257.12933	2.0
269.04559	5.4
269.45801	0.9
270.04877	1.2
273.12433	3.0
276.15027	1.0
277.09705	2.4
279.11310	1.9
283.10904	2.7
289.05643	1.0
293.12735	2.2
295.10919	1.3
301.11914	16.8
302.12256	1.4
311.10449	4.3
312.11118	1.8
313.11978	1.2
317.11298	1.1
319.12988	18.9
320.13431	1.7
325.12119	1.1
343.13071	2.7
356.10034	1.2
358.15756	2.1
360.16983	1.1
371.12421	1.0
372.13379	1.1
376.16669	2.0
386.15051	4.7
387.15417	1.9
388.16412	1.6
400.12277	1.0
400.16891	1.8
404.15866	2.1
412.16443	1.4
414.14600	5.6
419.14911	1.3
428.16028	2.4
429.16876	2.7
432.15240	2.0
439.23703	1.6
446.16846	1.1
447.18201	1.0
483.22284	18.4
484.22873	1.5
527.23126	2.8
543.26849	1.4
545.23877	6.6
551.22894	1.5
559.11847	1.2
561.29370	1.1
569.23938	7.1
581.84552	1.1
587.25146	10.4
588.25104	2.0
611.31635	0.9
611.80872	1.8
613.23309	4.0
619.27429	1.6
631.23877	14.1
632.24451	2.6
632.81018	1.3
633.24396	1.3
645.25665	5.2
663.26831	100.0
664.27136	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	663.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03447	4.9
58.00595	0.5
59.01376	38.6
59.47071	0.6
63.02373	0.7
66.19170	0.5
67.01872	1.8
68.99818	1.2
69.25585	1.9
69.25997	3.6
71.01062	0.7
71.01376	31.2
72.99304	45.4
73.02927	2.7
75.00870	8.3
81.03534	0.5
83.01383	7.0
84.02170	1.2
85.02946	44.2
86.03309	0.7
87.00883	5.7
89.02454	1.1
95.01376	11.2
96.96005	1.9
97.02949	0.8
99.00874	15.6
100.01207	0.7
101.02458	1.4
103.00362	3.6
107.01389	0.8
111.00861	4.4
113.02442	81.9
114.02792	1.7
115.00371	2.4
117.03472	4.1
125.02412	0.9
129.01949	1.0
131.03506	2.4
133.01411	0.7
139.00331	3.4
139.03996	0.6
149.02322	1.2
151.00404	1.5
155.03481	1.4
157.01398	3.6
159.04469	1.4
161.02367	1.1
161.63255	0.7
167.60443	0.6
175.02466	19.9
183.04463	0.6
193.03612	0.9
201.03934	0.9
217.03519	2.3
225.05524	1.7
235.04576	4.6
242.98177	0.6
245.06665	0.6
252.49037	0.6
253.05023	15.6
254.05345	1.1
268.03635	1.0
269.04526	55.6
270.04916	3.7
277.05743	1.0
281.04550	0.7
283.06189	1.3
289.05637	10.9
297.07632	0.6
306.44574	0.6
311.05719	3.0
325.07376	0.7
331.06720	2.1
333.04712	4.2
351.05679	2.7
352.06204	0.7
353.06665	1.8
375.05515	2.4
383.07602	1.3
393.06708	100.0
394.07028	6.1
394.81018	0.6
425.08737	0.7
427.06332	0.6
457.11298	1.1
463.99454	0.7
488.11713	0.7
490.30716	0.6
490.38162	0.6
559.11218	1.9
577.16479	0.7
619.16479	3.5
663.12598	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	663.12
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59559	0.2
55.01884	0.2
57.03448	1.1
59.01381	3.3
59.06078	0.2
63.02383	1.2
65.00348	0.7
69.03439	0.3
69.23490	2.1
71.01379	13.2
72.99307	31.2
73.99649	0.4
75.00861	0.6
77.47571	0.2
83.01384	2.7
85.02950	9.3
86.19138	0.2
86.71404	0.2
87.00874	1.7
89.02464	0.2
93.03442	0.6
95.01376	1.3
95.26919	0.2
95.76494	0.2
96.96066	0.2
97.02955	0.7
99.00868	1.5
105.03469	0.4
107.01395	1.5
112.01671	0.5
113.02444	20.5
114.02785	0.5
115.00368	1.6
117.03444	3.1
131.03503	2.1
133.01430	0.5
135.04616	0.2
149.02507	1.1
151.00400	1.3
151.05667	0.2
157.01363	0.6
159.04529	1.8
161.02423	0.9
167.41687	0.2
169.06552	0.5
169.43535	0.3
175.02484	0.6
181.06541	0.4
183.04472	1.0
197.06026	0.7
201.03957	0.3
201.05597	0.5
205.03653	0.3
215.05573	0.5
224.04750	0.4
225.05605	1.6
227.03470	0.5
268.03778	2.0
269.04535	100.0
270.04871	7.0
271.04678	0.6
281.04660	0.6
289.05643	22.6
290.05954	1.5
333.04626	0.9
351.05835	1.5
393.06732	5.2
425.09085	0.6
427.06635	2.0
497.10922	0.5
515.11163	0.4
559.10925	13.6
560.11218	2.1
603.09821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62331	1.0
52.37042	1.0
59.01378	16.5
61.98826	2.1
62.37117	1.2
63.97124	1.0
71.01379	6.9
73.02959	2.0
75.00864	2.5
83.01410	1.1
85.02928	2.7
89.02452	1.4
94.06625	2.1
96.96020	7.5
98.19876	3.0
99.00893	2.2
101.02428	3.5
106.06603	2.4
110.06116	5.9
113.02436	3.3
120.08219	1.6
121.05340	1.3
122.06119	28.6
130.06511	1.5
134.06104	6.6
134.62668	1.0
136.07669	1.8
144.04536	1.6
145.05351	1.2
146.06113	1.8
152.07230	1.7
154.99512	1.1
160.06410	3.1
160.57550	1.1
160.94850	1.2
161.04776	2.6
162.05618	1.2
173.04710	1.4
174.04312	1.0
174.05551	6.8
176.30267	1.1
179.84494	1.1
180.06641	5.8
186.05661	2.5
188.07164	2.6
197.07384	1.1
203.03377	1.1
203.05869	2.0
203.11819	1.3
210.81468	1.1
213.10320	14.2
215.11864	2.5
223.08841	1.2
225.10332	1.9
226.10899	1.4
236.09505	1.8
237.10240	3.3
239.11893	18.8
239.28174	1.0
240.12436	1.5
241.13477	12.0
251.08246	1.5
251.11897	6.0
263.08127	2.2
263.11810	2.6
264.09061	8.7
265.09744	9.6
267.11288	4.0
275.08109	1.8
276.09088	1.7
277.09756	2.5
278.07178	1.3
278.10568	2.3
279.07907	2.5
279.11343	10.9
280.11908	1.5
281.09573	1.4
281.12936	2.2
283.10846	3.6
285.12439	47.0
286.12610	3.6
291.07761	4.1
291.11331	8.6
292.08582	11.5
293.09250	6.6
293.12973	5.6
296.11526	1.3
298.09842	1.4
301.12064	2.2
305.09210	1.1
306.09943	3.6
307.10883	30.2
308.11502	11.6
309.11920	1.2
311.10321	2.5
312.11111	2.4
321.12479	1.3
323.10361	1.5
325.12131	1.3
328.11200	1.5
333.08871	1.4
340.10562	6.1
343.13007	2.3
344.17816	2.5
345.18481	1.4
350.09064	9.2
351.09863	28.6
352.10455	4.8
356.13986	4.7
365.11374	2.5
368.17715	1.5
370.15457	7.5
371.16382	2.9
372.17227	3.2
383.12631	1.9
384.13229	2.1
387.15656	1.5
388.16837	2.1
390.18109	1.4
398.15030	10.7
402.18079	1.3
403.15393	2.7
412.16644	8.8
413.17432	10.4
414.18158	2.7
418.17612	1.5
430.17673	8.8
433.16251	1.3
444.19122	2.6
445.16211	1.5
447.18042	2.9
448.18671	4.8
456.15704	1.2
457.16284	1.7
462.20636	2.4
474.16547	3.4
485.25436	1.6
491.16748	2.8
492.17636	10.9
493.23102	1.6
506.19312	20.5
507.19742	2.6
511.23465	3.6
520.20831	2.3
523.23615	1.6
524.20306	3.4
535.23340	12.9
536.23621	2.7
538.21918	49.4
539.22241	6.7
553.24591	44.7
554.24908	8.9
567.25940	2.5
579.22156	3.5
585.27112	6.0
597.23468	39.6
598.23737	6.6
608.80334	1.7
609.80383	2.6
611.25208	6.0
612.25592	1.8
617.29321	2.2
617.82037	6.6
618.31702	1.9
629.26141	100.0
630.26569	17.2
638.82208	1.6
639.31482	1.4
643.27386	1.9
661.28882	38.5
662.28931	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	661.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44352	0.5
55.01875	1.5
56.94577	0.5
57.03446	1.6
58.00608	0.9
59.01375	100.0
59.51064	0.5
60.01691	0.8
61.69021	0.5
61.98833	1.6
67.01893	0.7
69.03452	1.9
71.01376	43.5
71.56802	0.9
72.99300	2.6
73.02943	30.6
75.00855	2.9
83.01380	11.1
85.02937	10.0
87.00884	2.1
89.02438	17.4
90.84025	0.5
93.03453	0.6
95.01389	4.9
96.95999	10.5
99.00877	1.8
101.02435	41.6
108.82671	0.6
113.02441	30.4
114.78039	0.5
117.03510	0.9
119.03514	8.1
125.02448	3.1
131.03500	5.2
134.03699	1.3
137.02443	0.8
143.03493	9.5
149.04555	5.5
150.03239	1.2
155.03500	2.2
160.01622	1.6
161.04539	14.3
162.04929	0.8
165.01891	0.6
165.05458	0.9
165.12842	1.1
175.04002	2.4
179.03749	0.5
179.04205	0.6
179.05585	4.8
183.13901	1.1
191.14432	2.4
193.05159	1.2
197.11783	0.6
203.05574	4.5
221.06650	3.5
227.12886	0.6
283.06210	1.2
295.06290	0.6
297.07657	1.7
311.05524	1.7
323.05649	1.0
323.13510	3.7
341.10590	2.9
351.05447	0.8
353.06729	3.6
369.06207	2.2
383.07611	1.0
391.12790	1.7
399.07202	0.7
427.16003	5.3
428.16190	1.1
455.09866	0.7
499.19400	0.8
515.12238	0.8
515.25018	1.4
531.10968	1.3
533.22003	5.4
557.26190	2.4
575.13599	4.8
575.21149	2.1
575.28101	1.6
576.14264	0.7
617.15222	5.3
617.28271	1.8
618.15796	0.8
661.24243	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	661.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25974	2.1
57.03449	29.2
59.01105	3.7
59.01374	46.1
61.98800	3.7
62.97526	2.0
68.99803	3.3
71.01383	27.1
71.57822	3.1
72.99292	9.2
73.02944	5.2
75.00867	20.7
80.03557	2.4
81.03439	9.9
82.95416	7.8
82.99116	2.5
83.01360	4.9
85.02948	23.9
87.00858	6.7
87.46896	2.1
87.99565	2.3
89.02422	6.5
95.01360	5.2
96.95981	16.9
99.00874	15.0
99.04527	12.3
101.02424	9.0
111.00847	3.7
113.02438	23.6
115.00314	4.3
117.01945	5.3
122.03655	2.2
129.01926	2.6
130.82217	2.5
134.03735	67.5
146.05573	2.5
149.06070	57.3
160.01611	10.1
161.02374	3.0
161.04514	7.4
175.02533	4.3
175.03996	16.8
178.02704	4.4
193.05055	26.7
194.29465	2.5
231.05133	3.7
235.06197	3.3
249.06068	46.2
259.47287	2.4
267.08655	8.5
283.06125	3.8
309.09662	12.3
311.05548	4.7
349.12854	4.2
353.06555	3.2
353.22122	2.5
413.14395	13.2
463.19562	3.4
517.15533	55.6
518.15656	4.6
559.16650	46.7
560.16986	8.1
577.15393	3.1
591.13422	2.9
599.12457	20.7
600.13196	3.1
625.22998	3.6
661.19708	100.0
662.20435	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	661.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25974	2.1
57.03449	29.2
59.01105	3.7
59.01374	46.1
61.98800	3.7
62.97526	2.0
68.99803	3.3
71.01383	27.1
71.57822	3.1
72.99292	9.2
73.02944	5.2
75.00867	20.7
80.03557	2.4
81.03439	9.9
82.95416	7.8
82.99116	2.5
83.01360	4.9
85.02948	23.9
87.00858	6.7
87.46896	2.1
87.99565	2.3
89.02422	6.5
95.01360	5.2
96.95981	16.9
99.00874	15.0
99.04527	12.3
101.02424	9.0
111.00847	3.7
113.02438	23.6
115.00314	4.3
117.01945	5.3
122.03655	2.2
129.01926	2.6
130.82217	2.5
134.03735	67.5
146.05573	2.5
149.06070	57.3
160.01611	10.1
161.02374	3.0
161.04514	7.4
175.02533	4.3
175.03996	16.8
178.02704	4.4
193.05055	26.7
194.29465	2.5
231.05133	3.7
235.06197	3.3
249.06068	46.2
259.47287	2.4
267.08655	8.5
283.06125	3.8
309.09662	12.3
311.05548	4.7
349.12854	4.2
353.06555	3.2
353.22122	2.5
413.14395	13.2
463.19562	3.4
517.15533	55.6
518.15656	4.6
559.16650	46.7
560.16986	8.1
577.15393	3.1
591.13422	2.9
599.12457	20.7
600.13196	3.1
625.22998	3.6
661.19708	100.0
662.20435	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	661.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
57.03444	2.9
59.01068	1.7
59.01371	33.8
61.98811	4.0
68.25919	1.2
70.38639	3.9
71.01377	23.0
72.97912	1.3
72.99276	3.3
73.02956	6.4
75.00861	8.5
83.01363	3.8
84.49313	1.1
85.02949	20.4
87.00867	5.9
87.43395	1.3
88.98801	1.8
89.02432	7.4
93.03456	3.8
93.92321	1.2
95.01375	4.8
96.96005	11.3
99.00880	5.5
101.02448	11.7
103.00376	2.8
107.05000	1.2
109.53487	1.4
111.00858	1.7
113.02444	27.5
117.03454	14.4
117.16331	1.3
119.05029	2.1
123.04462	1.3
129.01933	1.6
131.03474	2.2
135.04536	6.1
137.02406	2.8
143.03561	1.4
145.02979	1.5
147.04530	2.0
148.05315	4.3
149.02405	2.9
149.06113	1.3
151.04007	1.7
159.04498	1.7
161.02420	5.6
161.04507	4.4
163.03967	3.3
163.07574	1.5
165.01918	3.3
173.11781	4.5
175.02464	2.2
175.03990	3.9
177.01936	2.2
177.05624	2.4
179.03432	3.7
180.04185	2.3
183.13925	2.1
185.02301	1.1
189.01897	4.1
191.03514	3.6
193.03488	1.5
193.05061	2.5
194.05728	1.3
203.03465	2.3
205.01360	1.7
205.05084	1.8
207.02936	7.8
223.07962	1.7
225.07640	2.3
226.07545	1.3
231.02823	2.0
249.03830	2.6
249.06039	3.7
251.07175	1.6
267.07187	56.8
268.07376	3.2
269.04453	3.7
281.04562	2.9
282.05258	4.6
283.06128	20.3
284.06326	1.8
291.07166	8.1
293.04575	1.8
295.06161	14.5
296.06729	5.3
297.04410	2.7
297.07639	30.0
298.08026	2.6
307.06070	4.2
309.04083	1.7
309.07596	2.8
311.05554	21.5
314.04236	2.0
322.04700	1.5
323.05542	16.7
324.06110	2.7
325.07184	14.6
328.05859	4.9
335.06012	13.7
337.07242	3.6
337.56256	1.3
339.04871	3.9
341.06482	6.1
342.48477	1.3
351.05115	11.2
352.05325	1.4
353.06644	58.1
354.06857	5.0
356.05298	1.6
363.05194	1.6
365.06537	7.8
367.04388	4.4
369.06107	35.8
369.10706	1.7
370.06494	2.2
381.06082	5.9
383.07632	24.9
384.08002	3.0
395.07513	2.9
399.07153	19.6
431.09549	1.7
437.09033	1.4
453.08493	1.9
455.09656	13.4
456.10211	1.5
471.09525	4.2
473.11020	6.1
485.10880	4.4
489.10394	5.8
513.10364	2.0
515.11780	21.7
516.12024	2.2
529.10144	3.8
531.11377	29.8
532.11621	4.1
557.12872	5.1
575.14001	94.3
576.14398	11.6
599.14050	1.6
608.79529	2.6
617.15039	100.0
617.30096	5.1
617.80048	12.2
618.15442	14.9
618.30566	3.8
625.26746	4.0
638.80817	5.5
639.31311	2.1
661.18542	8.7
662.20477	2.6
663.43201	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12829	0.2
59.01377	100.0
60.01707	0.6
61.98824	0.6
67.51788	0.2
70.76277	0.5
72.46300	0.2
78.43235	0.2
82.04861	0.2
110.98579	0.2
117.39824	0.2
175.25754	0.2
255.23349	0.5
310.45959	0.2
315.83893	0.2
423.25159	0.4
541.36902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85767	0.5
55.45374	0.5
59.01376	100.0
60.01707	0.8
61.80114	0.5
61.98821	1.0
71.47502	0.7
71.84108	0.5
78.91940	0.6
81.51039	0.5
98.20561	0.6
150.97424	0.6
156.87132	0.5
203.12561	0.5
456.54755	0.6
541.37494	0.6
563.39172	1.2
617.89209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02333	0.1
54.52413	0.1
57.03450	0.2
59.01366	0.2
71.01386	0.3
71.08125	0.1
71.11115	0.3
72.99293	0.2
73.02942	0.1
79.95734	3.4
85.68146	0.1
96.96004	100.0
97.95927	0.2
127.07652	0.9
134.03729	0.3
145.02983	0.3
149.06094	0.2
171.06590	0.6
180.66197	0.1
190.02724	0.3
205.05042	0.4
255.03065	0.2
271.02496	0.4
300.02676	1.4
301.03445	0.2
306.94873	0.2
423.93585	0.1
489.15967	0.7
534.10968	0.1
563.13959	0.7
625.14038	1.4
661.19812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3201
Annotation	Gambogoic acid A
Peak:m/z	Relative Intensity
59.01351	23.6
61.24675	20.8
61.98825	70.2
70.88471	41.1
72.30001	17.3
78.95871	24.1
85.11865	19.0
90.38942	18.2
119.38393	18.9
144.25967	18.8
147.88919	18.2
175.83589	18.7
311.81580	19.4
623.34003	47.5
659.31842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	32.1
60.60031	14.6
61.98835	76.5
68.26988	14.8
70.82475	27.4
71.01389	18.9
78.95879	24.0
80.96493	29.0
81.02215	13.5
150.56856	14.1
157.48198	13.7
163.30013	15.7
201.08643	16.4
331.03821	14.9
577.26807	44.4
623.34314	53.9
659.31622	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98825	23.0
69.50495	24.1
71.01405	3.8
78.95900	6.0
80.96516	5.2
94.37519	2.9
114.77103	3.4
141.01697	83.3
145.50533	3.4
207.21326	3.7
255.23250	10.5
277.22034	4.4
293.56784	3.9
395.46109	4.2
423.24948	8.2
577.26868	16.2
623.34131	15.1
659.32477	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	658.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01727	0.9
61.98820	1.9
70.06493	1.0
70.06869	1.2
99.40704	0.5
121.29681	0.6
135.15388	0.6
141.01695	81.7
142.02010	0.8
231.18553	0.6
277.21646	3.4
347.27219	0.6
357.59818	0.6
502.29385	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	657.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.2
57.46643	0.7
59.01376	13.3
61.98814	1.9
65.03931	1.4
67.47941	0.7
69.85390	3.0
71.01055	0.9
71.01377	9.8
72.99299	1.0
75.12920	0.7
82.93574	1.0
83.05025	2.7
83.08212	0.7
85.02935	1.8
85.06580	1.0
87.00861	1.4
89.02437	5.2
90.63037	0.6
91.05563	0.7
93.03470	1.6
94.52782	0.8
94.93845	0.8
95.05006	0.9
96.95995	8.1
97.02871	0.9
97.06573	2.5
101.02434	7.3
108.34845	0.7
109.02921	1.0
109.06551	1.4
111.08121	1.6
113.02451	2.8
114.34319	0.9
119.03458	0.9
119.04985	0.9
121.02940	0.8
122.06104	1.2
123.04487	1.3
123.08179	1.6
125.02429	4.0
125.09716	13.8
133.02966	3.0
137.02419	3.7
143.03516	1.0
149.04568	0.9
149.84663	0.9
161.04559	1.1
171.10252	10.4
175.03842	1.0
183.13875	2.2
189.16454	1.3
193.08670	1.4
201.12737	1.0
201.15114	0.8
205.15938	2.4
209.11819	4.6
211.13388	10.7
215.14378	3.7
221.15479	1.1
227.12799	1.0
231.13867	1.9
233.15450	39.6
233.56157	1.1
234.15770	3.2
249.14919	5.8
250.15027	1.0
251.16397	2.0
253.09233	2.1
280.37466	0.9
284.03262	2.1
285.03891	3.8
297.04135	5.7
298.04727	2.1
299.05508	4.3
321.08301	0.9
325.03296	1.1
327.05078	30.2
328.05331	2.5
331.26385	2.6
339.05029	1.1
341.24799	2.6
357.06085	16.2
358.06467	2.0
367.22641	2.4
369.05948	3.3
375.25421	2.2
385.23792	8.6
403.24863	18.8
404.25165	1.6
411.07291	1.5
421.25836	8.3
422.26202	1.1
429.07889	1.0
446.08084	2.5
447.08798	1.2
452.23486	1.1
563.23193	2.2
581.24066	1.4
607.21399	1.5
625.23151	1.6
639.23090	1.5
639.33765	31.5
640.34161	5.3
657.23138	3.2
657.34851	100.0
658.24615	0.8
658.35144	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	656.35
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42333	1.9
53.79469	2.1
59.01379	100.0
60.01703	2.7
61.98830	55.5
68.81066	2.0
69.64118	7.9
71.01367	17.1
73.02937	6.2
73.66649	1.9
75.00880	3.2
83.01385	4.3
84.10641	1.8
84.51155	2.0
85.02948	6.4
87.00896	2.9
89.02439	2.8
91.39853	2.3
92.63580	2.0
93.92492	1.7
96.96001	33.1
98.20685	3.6
98.95584	2.8
99.00887	4.2
101.02422	12.8
113.02438	7.3
134.06108	4.3
137.02396	5.1
152.05074	1.9
161.04520	2.5
164.65633	2.3
209.11720	2.5
211.13475	2.7
213.18556	2.2
262.17636	2.2
283.11194	2.3
299.11237	5.8
309.97809	2.1
345.29944	3.8
367.10364	3.6
403.10809	2.5
489.34335	61.3
490.34415	6.5
507.35223	19.6
508.35458	3.5
521.33350	8.6
549.36353	20.0
550.37115	2.7
570.35614	3.1
604.62628	2.6
625.22815	2.8
656.34741	2.2
657.34009	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	655.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01719	0.6
61.98831	1.4
67.90343	0.3
68.08920	0.4
71.01376	0.6
71.25867	0.3
71.26234	0.5
96.99315	1.4
97.02885	0.4
101.01007	0.3
113.01025	0.5
141.01691	72.5
142.01978	0.9
142.05121	0.6
147.10086	0.3
173.03072	0.6
201.02505	0.4
253.09152	0.4
257.05200	0.5
275.06180	3.2
276.06360	0.5
277.21713	2.9
286.32974	0.4
317.07318	0.8
359.22028	1.8
391.19662	1.1
535.27582	4.4
536.27692	0.6
550.22931	0.4
595.29602	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	655.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45904	0.5
59.01375	100.0
60.01712	0.9
61.98833	6.5
70.82685	1.0
71.01387	0.9
96.99330	2.0
141.01692	72.5
142.02074	1.0
180.73401	0.5
247.60658	0.6
257.05118	0.7
275.06274	1.6
277.21597	3.3
329.48764	0.5
359.22089	1.5
391.19833	1.4
535.27924	2.5
536.28442	0.8
595.29669	1.0
625.78516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.7
69.88187	1.4
69.88580	2.0
71.01371	4.1
73.02947	0.9
85.02941	1.7
85.06002	0.7
89.02447	3.3
93.03458	0.8
95.01401	0.8
98.20684	0.8
101.02420	2.1
113.02412	2.6
117.03419	1.7
118.49481	0.7
119.03516	0.9
121.02966	4.2
121.05080	1.8
122.03730	2.7
126.46033	0.7
131.83122	0.8
132.02156	8.0
133.02927	2.5
134.03731	23.0
135.04393	1.0
137.02406	1.1
138.46074	0.8
149.02431	8.9
149.06076	4.2
150.03217	28.4
160.01653	48.3
161.02034	1.7
164.04753	1.8
165.05545	22.3
175.03981	64.0
176.04483	3.2
178.02698	2.1
180.04257	1.5
191.07059	2.4
193.05029	28.5
195.06615	9.5
214.20004	0.8
221.06038	0.9
235.06084	4.8
250.06314	1.7
282.08954	2.2
295.08078	1.3
339.05121	0.9
341.10266	8.1
342.10532	1.1
369.06082	3.2
371.11530	1.4
389.12344	1.3
399.07089	2.5
426.45462	0.9
459.15033	100.0
460.15408	9.0
473.10580	1.1
565.43597	0.9
592.13763	2.7
593.15057	6.7
607.20068	2.9
623.21100	1.2
655.12018	1.6
655.22571	19.5
656.22986	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	655.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26997	0.6
59.01368	3.7
71.01391	4.5
71.57657	1.1
72.09682	0.7
72.99333	0.6
73.02941	0.7
73.03906	0.6
85.02950	1.3
87.00867	2.0
89.02437	2.3
93.03452	1.1
96.96011	0.9
99.50019	0.8
101.02451	2.0
113.02457	1.5
117.03477	1.1
121.02973	2.5
121.05054	2.3
122.03726	3.9
128.41960	0.6
131.39656	0.7
132.02180	7.1
133.02960	1.0
134.03745	19.2
135.04326	0.8
137.02426	1.8
149.02440	6.6
149.06030	2.1
150.03221	27.2
160.01653	39.0
161.02032	1.9
164.04695	0.7
165.05573	24.0
166.05984	0.9
175.03993	53.6
176.04474	2.6
178.02719	1.2
179.05832	0.7
180.04283	2.2
191.07106	1.3
193.05043	24.9
194.05415	1.3
195.06624	8.5
207.06482	0.7
235.05981	4.2
282.08942	1.4
310.29800	0.6
312.99152	0.7
337.09204	0.7
341.10364	4.2
356.16428	0.7
371.11496	1.6
447.09058	1.1
459.15073	100.0
460.15347	10.1
607.20367	1.7
655.22418	4.3
656.23212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.8
59.01377	100.0
61.98829	56.3
71.01393	16.3
71.58897	3.9
73.00881	2.7
73.02945	6.0
83.01370	7.1
85.02943	9.8
89.91315	2.7
95.01396	5.8
96.95982	17.0
97.02946	3.5
99.00864	3.6
101.02455	13.5
109.82765	2.8
113.02438	12.7
113.25092	2.9
132.87811	3.1
161.04549	6.0
209.11810	2.9
213.18446	3.2
231.74942	3.0
244.23405	3.2
272.23022	3.3
292.60898	3.6
301.11920	2.9
375.24042	7.6
382.17609	2.9
445.07654	8.2
473.92279	4.0
481.82236	2.9
487.32758	80.7
488.33188	7.5
505.33765	28.0
547.34808	11.8
568.34387	3.2
654.30682	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	653.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98819	0.5
62.96400	0.9
65.72515	0.4
70.14119	1.9
75.55401	0.4
78.95901	100.0
89.04868	0.4
98.38378	0.5
121.48978	0.4
149.00084	5.4
205.15956	2.0
243.14349	0.4
263.93414	0.5
277.21863	0.8
285.12531	4.0
294.56427	0.5
355.16891	2.5
370.48492	0.4
385.17929	0.8
447.13483	5.5
465.98682	0.4
547.33350	0.5
653.30072	61.5
654.30414	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	653.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42480	0.4
55.01851	1.2
57.03434	1.0
57.03712	0.5
58.00579	1.9
59.01376	36.6
59.03014	0.5
61.98821	1.4
62.44927	0.4
66.52048	0.4
66.89291	0.5
68.99812	0.5
69.03435	1.7
71.01377	32.7
71.55653	0.5
71.56023	0.5
72.01698	0.6
72.99310	3.2
73.02938	5.9
75.00884	1.3
81.03449	1.3
83.01370	4.0
83.04983	0.5
85.02950	8.3
86.00073	0.7
87.00861	8.8
89.02440	30.5
91.04002	1.2
95.01383	2.5
95.01930	0.5
97.02950	6.4
99.00875	2.3
101.02435	29.0
102.02773	0.6
111.04501	1.3
113.02447	14.3
115.04002	0.7
119.03497	10.2
125.02431	11.3
131.03474	1.7
133.05069	0.8
139.03961	1.0
141.01964	0.8
143.03481	5.8
149.04507	0.8
161.04530	7.3
167.03395	0.7
179.05597	6.8
181.07231	0.5
185.04568	0.6
200.42331	0.5
217.07129	1.2
221.06622	2.5
235.08197	15.0
236.08511	0.7
245.06694	0.8
253.09341	3.9
255.23277	99.1
256.23584	6.7
263.07645	1.1
268.03452	0.6
269.24768	0.7
277.09259	0.8
287.07779	3.7
305.08731	4.8
323.09854	1.4
340.20837	0.5
379.12201	0.9
397.13467	100.0
398.13809	6.9
415.14523	36.3
416.14932	2.0
537.60303	0.5
653.37341	1.4
657.17627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80124	0.6
55.01862	0.8
57.03471	0.7
59.01375	100.0
63.89180	0.7
63.89515	0.6
65.59429	0.7
71.01376	21.0
71.09707	0.8
72.99293	0.8
73.02929	7.2
75.00887	1.7
83.01383	2.8
85.02941	9.2
87.00874	1.0
89.02436	4.2
95.01392	1.6
96.96012	1.0
97.02991	0.8
99.00903	2.3
101.02428	18.5
109.02942	0.9
113.02438	9.8
115.19790	0.7
119.03540	0.9
121.02945	1.5
123.04517	36.3
124.04896	1.2
125.02458	1.5
125.61874	0.7
129.01997	0.8
132.41998	0.6
137.02472	1.3
137.90390	0.7
143.03503	1.6
150.03287	0.9
152.04774	2.3
153.01978	2.2
153.05562	67.2
154.05925	2.8
159.03006	2.7
161.04533	14.0
162.06981	0.7
163.03934	0.9
193.03572	1.5
205.01175	1.7
207.02708	7.6
233.10246	4.9
235.06015	1.0
245.04362	1.3
251.11322	41.5
252.11664	1.5
293.12390	48.8
294.12680	3.7
315.10797	12.6
315.14175	1.0
323.13425	3.5
337.09033	30.1
338.09244	2.2
381.08124	2.3
545.49500	0.7
653.20605	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	653.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12830	0.2
53.85207	0.2
57.03431	0.2
57.50697	0.2
59.01377	6.0
59.73052	0.2
60.01720	0.2
61.98822	0.3
65.03961	0.8
69.62451	0.2
71.01376	3.0
71.57951	0.2
73.02942	1.7
74.03301	0.2
75.00872	0.8
82.09980	0.2
83.01401	0.9
85.02939	1.0
86.00124	0.2
87.00876	0.2
88.98728	0.2
89.02426	0.7
90.94156	0.2
93.03455	57.2
94.03782	1.3
96.96012	0.5
97.02946	0.3
99.00887	0.3
101.02442	2.0
108.02209	0.3
109.02942	0.2
113.02419	1.1
119.03466	0.2
123.04506	0.2
125.02445	0.8
131.03494	0.5
137.02437	100.0
138.02773	2.7
143.03448	0.3
146.03764	0.3
147.04636	0.2
161.04504	0.3
165.04030	0.3
173.02383	0.4
174.03188	1.5
188.04807	0.2
202.02689	0.3
205.04839	0.3
215.03619	0.2
217.05017	0.4
229.05103	0.3
237.05421	0.3
239.07172	0.2
241.05089	0.2
249.05426	0.3
250.06300	0.3
251.07114	0.4
261.05783	0.2
263.06903	0.3
265.04968	0.5
267.06638	0.7
271.06216	0.4
277.04739	0.2
279.06445	0.9
281.28024	0.2
282.09091	0.3
293.04459	0.5
294.05389	0.3
294.08981	0.5
295.06030	0.3
299.07809	0.5
304.41727	0.2
305.04660	0.6
308.07062	0.4
309.07654	0.5
320.06516	0.2
322.08389	0.2
323.05603	0.4
323.09232	1.1
335.09372	0.3
338.07870	0.6
341.10260	0.6
353.10229	3.3
395.11310	0.3
437.12265	0.4
485.14484	1.3
497.14777	0.5
515.15546	10.5
516.15973	1.4
579.18323	0.2
591.18646	0.5
592.80188	0.4
601.30420	0.4
601.80646	1.8
602.30566	1.1
602.80951	0.2
623.17920	0.9
635.17499	0.6
653.18469	2.4
654.19373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37030	0.5
57.03433	2.4
59.01372	14.4
61.98816	0.8
65.00308	2.7
67.01884	1.0
71.01379	23.0
72.99303	15.9
73.02940	4.0
75.00864	10.9
83.01381	4.2
84.55775	0.5
85.02941	21.4
87.00861	4.7
89.02425	4.2
95.01394	4.8
96.80118	0.6
96.95978	0.8
98.19823	0.8
99.00876	8.1
101.02438	3.8
103.00375	6.4
107.01378	4.3
111.00859	0.8
113.02441	29.2
115.00367	2.1
117.01910	1.2
125.02436	3.2
126.89577	0.6
129.01932	1.2
131.03499	2.2
133.01445	1.0
133.02933	0.6
134.03722	7.8
135.04491	0.5
141.76077	0.5
149.02408	0.8
149.06055	3.9
150.03249	0.6
150.99200	0.8
151.00359	14.5
155.23529	0.5
157.01402	1.6
163.02371	0.6
164.01097	2.0
165.01843	0.7
165.05489	1.2
167.03481	0.6
175.02466	8.3
175.03917	0.7
177.01859	0.9
193.03510	16.5
193.05206	1.1
194.03883	0.6
196.00151	1.2
199.03931	0.6
229.80547	0.6
231.53535	0.5
235.04553	1.4
250.25928	0.6
253.12936	0.6
257.08093	0.8
263.07581	0.6
282.61505	0.6
287.05673	0.6
289.05643	2.2
296.10172	0.6
301.07162	13.0
302.07391	1.4
307.06491	0.7
327.05280	0.6
333.04672	1.8
343.08279	3.0
351.05640	100.0
352.05954	5.8
353.06149	1.4
401.16293	0.6
449.10754	1.3
519.10950	2.5
591.13770	0.9
653.13416	9.3
653.22473	2.3
654.13757	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	651.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05742	0.2
51.73751	0.2
57.35020	0.2
59.01376	0.7
61.98833	1.5
65.42635	0.2
71.01376	0.5
71.55019	0.4
72.18298	0.2
84.57501	0.2
89.02427	0.4
89.52212	0.2
89.58642	0.2
91.55399	0.2
93.03445	0.7
96.96016	2.2
99.18746	0.3
101.02427	0.2
110.14037	0.2
116.92796	0.2
119.05022	93.4
120.05358	3.3
132.67496	0.2
134.03671	0.2
135.04494	0.4
137.02434	0.3
149.02420	0.2
154.01276	0.2
163.03999	100.0
164.04346	3.8
179.03398	0.3
192.25261	0.2
197.54308	0.2
205.05074	0.5
214.10909	0.2
225.07811	0.2
255.24515	0.2
285.03864	0.3
325.09277	14.6
326.09491	1.2
353.06424	0.7
366.27533	0.2
448.38766	0.2
489.09763	0.3
489.16422	0.3
547.25708	0.3
593.14844	0.7
651.14441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1716
Annotation	Flustramine O
Peak:m/z	Relative Intensity
52.14114	1.0
57.03434	3.3
59.01374	20.5
61.98821	3.3
69.44975	1.0
69.84791	4.7
71.01369	6.8
73.02939	3.6
75.00858	2.5
77.03951	2.1
78.43308	1.1
79.01886	1.6
83.01347	1.3
85.02948	5.2
86.89233	1.2
89.02437	4.0
93.03441	4.3
96.95992	3.6
99.00891	1.5
99.04487	2.0
101.02454	6.5
105.03399	1.4
113.02413	4.0
116.97246	8.4
117.03455	17.4
118.96947	16.1
119.05006	2.4
121.02937	3.9
125.02448	2.0
135.04495	3.6
141.01726	1.8
149.02406	3.6
159.04518	2.1
161.02420	7.8
161.04520	1.4
163.00356	3.3
163.04008	5.0
171.10204	1.2
173.02351	1.4
175.00323	1.5
175.03922	1.9
178.06238	1.4
179.03534	1.2
191.03511	2.5
193.01369	1.4
193.08614	1.4
203.03464	1.7
224.04573	1.2
237.05429	2.0
237.07600	2.7
241.05104	1.5
268.03766	3.1
269.04520	6.3
281.04590	14.7
282.05157	4.6
283.06104	50.0
284.06415	3.0
293.04465	5.1
295.06213	5.8
295.09085	1.2
309.04019	1.4
311.05569	100.0
312.05927	7.2
321.03561	1.2
323.05554	13.3
341.06674	7.3
342.07199	1.3
353.06534	3.1
413.08731	82.9
414.08926	6.1
448.22696	1.2
495.60150	1.1
507.35532	1.8
562.59283	1.2
565.00299	1.5
565.28961	2.5
607.36908	3.8
651.17096	61.7
651.40656	6.1
652.17303	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	651.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35985	0.3
56.49812	0.3
59.01377	3.0
62.85122	0.4
63.02397	2.4
65.00323	8.0
71.01381	1.9
73.02968	0.6
75.00857	0.4
75.87077	0.3
81.03453	0.4
83.01382	5.1
85.02940	1.0
87.00886	0.5
89.02435	0.9
91.94215	0.4
93.03462	5.7
95.01437	0.3
96.95996	0.8
99.00885	1.1
107.01386	15.0
113.02483	1.9
117.03456	0.5
119.05023	34.4
120.05342	1.0
121.02959	1.0
123.04502	0.9
124.85048	0.3
125.02436	2.9
134.03754	0.8
136.01628	0.6
143.05040	0.4
145.02931	2.7
149.02510	0.6
149.04544	0.9
149.05833	0.4
151.00360	58.6
152.00713	1.5
160.19751	0.4
161.06061	0.9
163.00356	0.4
164.01175	0.7
165.01900	2.3
167.03452	0.7
169.01418	1.0
175.00349	1.1
175.03891	0.4
177.01942	4.8
181.05093	0.5
185.06041	1.2
187.03989	1.3
193.01430	1.0
193.05003	0.7
209.04504	1.3
220.73019	0.3
227.07162	2.4
229.05006	0.6
229.56590	0.4
235.02423	0.8
239.05624	1.4
253.05070	3.6
269.04227	0.5
269.06763	0.5
271.06104	100.0
272.06473	6.7
295.06082	0.4
299.07574	0.6
301.18674	0.4
307.04596	0.7
313.07266	1.8
325.06198	0.5
355.08087	0.7
373.09113	1.0
403.13901	1.3
427.09088	3.8
547.14532	46.1
548.14868	4.2
567.00745	0.4
591.13562	1.6
609.14081	0.7
651.15356	2.7
651.25049	0.4
652.15997	0.4
669.26251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1407
Annotation	Malonylapiin
Peak:m/z	Relative Intensity
59.01377	1.0
63.02387	1.5
63.53148	0.2
65.00037	0.2
65.00336	0.6
69.17218	0.2
69.39809	0.9
69.40227	0.5
69.48648	0.2
71.01375	0.7
79.81956	0.2
80.72539	0.2
80.95762	0.2
82.29971	0.2
83.01370	0.4
85.02936	0.6
93.03436	0.2
96.96000	0.5
101.02418	0.2
107.01385	1.6
113.02460	0.7
117.03451	2.8
121.02919	0.2
147.11066	0.2
148.01672	0.3
149.02422	0.7
151.00339	1.2
159.04552	1.0
159.36876	0.2
161.02522	0.3
167.87958	0.1
169.01251	0.2
169.06516	0.2
171.04507	0.4
172.05260	0.3
180.05963	0.2
181.06534	0.3
183.04518	0.5
184.05017	0.2
195.80682	0.2
196.05286	0.3
197.06111	0.4
199.03903	0.3
201.05537	0.5
209.02341	0.2
211.04036	0.3
212.04550	0.2
224.04768	0.2
225.05582	0.9
227.03462	0.3
239.03429	1.1
240.04327	1.4
241.04961	0.2
267.03003	0.3
268.03745	29.4
269.04520	100.0
270.04874	7.3
293.04611	0.2
411.92245	0.2
413.08887	1.0
425.08966	0.3
431.09854	0.4
545.12982	44.1
546.13354	6.7
589.11975	0.5
607.13147	0.4
611.15582	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
57.03442	3.0
59.01378	100.0
60.27061	1.0
61.83509	0.9
68.84984	0.9
69.03450	2.6
69.60280	4.8
69.60690	1.9
71.01379	30.9
72.99290	1.4
73.02946	14.0
75.00861	2.8
83.01390	3.9
85.02948	18.1
87.00908	1.8
89.02448	13.7
95.01389	5.7
95.24637	0.9
96.96011	3.0
97.02944	1.3
99.04519	3.3
101.02435	29.6
102.39990	0.9
107.69007	1.0
113.02447	45.7
114.01954	2.7
114.02763	1.0
119.03488	5.5
125.02411	1.3
131.03494	8.0
143.03474	2.9
149.04538	5.4
159.04538	2.1
161.04536	9.7
221.06577	1.7
232.06094	1.2
245.29636	1.0
295.05975	1.2
353.06696	1.9
369.06213	1.2
375.23929	1.1
473.10605	1.2
526.07941	1.1
575.14227	6.2
669.97668	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	647.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45388	0.2
57.03461	0.2
59.01375	3.2
61.98825	0.7
71.01377	0.6
71.58794	0.2
79.95731	2.6
85.02944	0.4
88.98822	0.2
89.02451	0.2
91.09524	0.1
91.54201	0.2
96.36334	0.2
96.96006	100.0
101.02440	0.4
113.02431	0.3
114.93327	0.2
121.02994	0.2
125.02440	0.2
135.04480	0.2
145.08615	0.2
161.04552	0.2
214.61284	0.2
253.04529	0.2
361.04782	0.2
383.14758	0.3
425.47302	0.2
445.31778	0.4
561.29407	0.4
647.24359	0.4
647.35803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95176	0.3
58.71732	0.3
59.01395	0.4
64.65145	0.3
70.45311	1.0
86.02499	0.3
88.95763	0.3
89.02429	0.3
95.37836	0.4
122.03713	3.3
123.04496	1.3
135.04515	1.2
137.02443	0.5
147.03368	0.4
149.02180	0.3
153.05605	0.8
154.02719	0.3
162.05597	100.0
163.05984	3.1
182.40877	0.3
194.30345	0.3
229.11176	0.5
244.13365	1.1
286.10825	57.9
287.11176	3.5
330.13220	0.6
448.16077	33.4
449.10648	0.6
449.16260	3.0
609.14465	0.4
610.21423	26.9
611.21802	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	645.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	77.6
59.01377	55.7
61.98817	4.4
64.88086	0.9
70.37182	1.3
71.01383	11.2
71.58362	1.6
72.99311	2.2
73.02950	9.3
75.00860	3.7
81.03448	5.3
83.01383	3.8
85.02948	3.5
89.02433	2.5
93.03475	2.4
96.96014	10.1
99.00875	4.2
99.04517	41.4
101.02439	30.5
108.43741	1.1
113.02444	4.8
119.03469	1.8
119.04993	2.4
122.03777	1.1
123.04494	1.1
125.02452	17.9
131.03493	1.4
132.02223	5.2
133.02925	3.7
134.03737	63.0
135.04143	1.3
137.02473	5.1
143.03461	2.8
147.04468	2.2
149.06070	43.7
150.06433	2.0
160.01651	40.3
161.01926	1.9
161.04524	3.0
174.01706	7.8
175.03983	78.9
176.04341	3.1
178.02692	4.1
179.03395	1.8
180.04259	1.2
192.04236	2.3
193.05040	32.0
249.07660	21.3
267.08713	26.0
309.09808	23.7
349.12823	4.4
363.03271	1.0
394.12753	1.8
403.69882	1.0
409.15030	30.1
410.15347	2.5
427.16034	100.0
428.16351	8.7
439.19669	2.1
469.17166	13.1
470.17606	1.1
483.18674	9.5
484.19141	1.5
501.19745	41.4
502.20023	3.7
523.21722	1.0
527.34833	1.4
543.21124	6.3
544.21564	1.6
601.14948	1.4
645.23901	47.1
646.23993	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	645.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	77.6
59.01377	55.7
61.98817	4.4
64.88086	0.9
70.37182	1.3
71.01383	11.2
71.58362	1.6
72.99311	2.2
73.02950	9.3
75.00860	3.7
81.03448	5.3
83.01383	3.8
85.02948	3.5
89.02433	2.5
93.03475	2.4
96.96014	10.1
99.00875	4.2
99.04517	41.4
101.02439	30.5
108.43741	1.1
113.02444	4.8
119.03469	1.8
119.04993	2.4
122.03777	1.1
123.04494	1.1
125.02452	17.9
131.03493	1.4
132.02223	5.2
133.02925	3.7
134.03737	63.0
135.04143	1.3
137.02473	5.1
143.03461	2.8
147.04468	2.2
149.06070	43.7
150.06433	2.0
160.01651	40.3
161.01926	1.9
161.04524	3.0
174.01706	7.8
175.03983	78.9
176.04341	3.1
178.02692	4.1
179.03395	1.8
180.04259	1.2
192.04236	2.3
193.05040	32.0
249.07660	21.3
267.08713	26.0
309.09808	23.7
349.12823	4.4
363.03271	1.0
394.12753	1.8
403.69882	1.0
409.15030	30.1
410.15347	2.5
427.16034	100.0
428.16351	8.7
439.19669	2.1
469.17166	13.1
470.17606	1.1
483.18674	9.5
484.19141	1.5
501.19745	41.4
502.20023	3.7
523.21722	1.0
527.34833	1.4
543.21124	6.3
544.21564	1.6
601.14948	1.4
645.23901	47.1
646.23993	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	645.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	87.6
59.01375	55.0
61.98829	7.2
71.01379	12.2
72.99297	2.1
73.02931	10.8
75.00864	6.3
81.03445	7.3
83.01390	1.9
85.02942	2.8
85.12614	1.0
85.38758	1.0
87.00892	1.3
89.02435	3.0
93.03432	2.7
96.96004	10.6
97.02964	1.5
99.00864	3.5
99.04513	45.7
101.02432	32.5
102.02847	1.2
113.02440	5.6
117.01929	1.3
119.05003	1.8
125.02437	18.1
132.02161	4.7
133.02939	3.4
134.03732	64.3
135.04013	1.2
137.02496	6.2
143.03508	1.8
147.04480	2.1
149.04713	2.8
149.06059	50.4
149.07256	2.4
150.06343	2.1
160.01648	47.5
161.02216	1.8
161.04550	5.3
165.02016	1.4
166.78807	1.3
174.01697	8.3
175.03979	89.4
176.04356	3.1
178.02684	3.7
179.03459	1.9
180.04141	1.3
192.04292	2.3
193.05029	35.0
195.06607	1.6
205.78949	1.1
216.72125	1.0
217.34286	1.1
229.52036	1.2
246.84300	1.2
249.07652	21.6
251.16313	1.1
267.08722	30.4
268.08917	1.9
277.64844	1.2
309.09784	22.3
311.05652	1.2
349.12814	3.5
370.63739	1.4
383.07785	1.3
409.15021	31.0
410.15329	2.1
412.13342	1.6
427.16046	100.0
428.16354	8.9
437.34134	1.2
439.19568	1.5
469.17081	17.1
483.18753	9.7
486.86890	1.2
501.19745	44.2
502.20074	4.0
511.21838	2.6
523.21942	1.4
543.20844	6.7
583.23706	1.5
645.15381	2.7
645.23938	49.7
646.14038	2.1
646.23743	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	642.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.8
59.01380	14.9
61.98831	5.3
64.62589	0.8
69.80599	3.4
71.01386	6.3
73.02931	2.5
75.00866	1.1
79.95679	0.8
83.01377	1.3
83.11603	0.7
85.02948	2.7
85.10257	0.6
89.02449	1.6
93.03409	0.9
93.40375	0.8
96.95996	8.7
101.02434	2.9
113.02446	2.1
116.05062	36.1
117.03457	6.6
119.05004	1.1
132.15849	0.7
137.02455	1.1
149.02394	1.0
156.08148	1.3
161.02382	2.8
175.03967	5.8
177.01892	2.5
180.08127	1.0
187.03928	1.4
187.61795	0.7
191.03505	1.2
198.09238	6.7
201.05553	1.4
203.03479	2.1
205.01323	2.4
211.13387	3.0
215.07080	1.1
216.07202	0.7
228.86162	0.9
243.06621	1.8
251.07104	1.6
267.06757	0.9
279.06656	1.1
281.04529	3.6
283.06171	4.0
293.04593	1.6
294.05334	3.8
295.06097	14.9
296.06625	1.2
297.07584	2.0
311.05591	2.8
318.11475	0.9
320.06976	0.9
323.05579	44.5
324.06055	2.1
325.07147	1.6
326.04318	2.3
328.05890	1.1
332.12994	2.1
333.07632	1.2
335.05347	1.8
353.06625	20.5
354.06937	1.0
360.12305	5.1
365.06592	1.6
367.07941	0.8
377.10001	0.8
383.97134	0.9
390.13602	1.5
405.09845	4.0
425.09128	1.2
435.10632	1.9
443.09760	2.2
522.15564	20.0
523.15906	2.6
552.16583	9.1
553.16241	1.3
599.27203	6.1
624.18103	1.9
641.36047	1.0
642.19781	100.0
642.35071	4.2
643.20325	13.7
643.31586	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	642.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82047	0.6
59.01380	1.1
61.98818	1.0
70.30993	2.7
71.01372	1.2
72.99302	0.7
74.63913	0.7
82.81910	0.7
87.03384	0.7
88.04031	11.2
94.06606	0.8
96.96026	2.1
102.90796	0.6
108.04546	0.8
114.01969	0.7
115.00366	2.8
118.06624	1.5
122.05464	0.7
122.06129	6.6
124.03924	0.8
124.07659	1.7
132.03021	14.5
134.06117	2.0
136.07671	2.7
146.06082	2.8
148.04057	5.4
150.05597	6.8
152.07199	1.2
160.04022	11.2
161.04825	3.6
162.05588	3.7
164.07137	1.5
165.01984	0.9
167.03426	0.8
173.04813	1.1
176.07207	0.7
178.05086	7.1
182.06081	0.8
189.06601	0.8
191.05875	1.1
192.06480	0.7
193.03767	2.1
195.06741	1.2
200.07266	0.9
200.10817	1.1
211.08778	0.9
212.10921	1.1
224.10873	6.5
225.10349	2.2
227.08205	2.3
228.09045	1.3
230.11804	1.3
237.06735	0.8
241.13385	1.9
242.06737	0.9
242.11856	8.7
243.11351	9.9
250.07144	7.8
251.08121	2.1
252.09036	13.6
255.07692	1.9
255.11343	2.5
256.08328	1.2
257.09375	0.8
260.12939	3.0
261.12326	1.3
266.06866	0.8
267.11353	39.7
268.11780	1.9
269.09177	1.0
270.10052	2.5
284.07932	3.2
285.12430	33.2
286.12848	1.6
293.09326	3.0
303.13541	4.9
311.10312	6.2
329.11392	22.5
332.55447	0.7
347.12482	7.7
348.12561	0.8
373.10385	32.1
374.10681	1.5
391.11429	100.0
392.11810	5.7
488.64377	0.8
579.13672	3.0
642.14502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98810	2.2
71.01394	1.2
75.81512	0.6
109.02943	1.3
118.03413	0.7
133.01404	0.9
133.02921	5.2
135.04523	1.1
149.02373	0.8
150.03168	0.7
151.03900	0.8
153.78546	0.8
161.02451	1.0
163.03952	1.6
167.03426	0.9
175.03944	1.5
177.01965	1.0
179.03539	0.9
195.06053	0.6
205.01358	0.7
211.07626	0.8
297.03995	1.5
298.04752	5.7
299.05450	2.6
311.05566	4.8
312.06369	6.1
313.07028	5.3
323.05569	1.5
325.07346	1.5
327.05005	3.6
339.05032	9.2
341.06644	3.2
351.05212	0.7
353.06702	2.0
357.06088	1.3
367.04373	1.1
369.06119	32.5
370.06451	2.9
381.06027	4.8
399.07178	27.5
400.07553	2.2
411.07346	4.2
423.07202	1.2
429.08160	7.0
441.08295	2.7
453.08160	1.7
459.09320	5.6
471.09332	1.9
489.10364	7.6
490.11020	1.1
519.10864	1.2
579.13495	100.0
580.13843	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	641.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88298	0.5
57.03453	1.0
59.01384	6.9
59.67810	0.6
59.98614	0.5
61.98832	0.7
71.01381	5.8
71.05020	0.6
83.05040	1.3
85.02941	1.5
87.00844	0.6
89.02424	4.8
95.01379	0.7
96.96011	1.5
97.06606	0.9
101.02438	5.8
107.04979	0.6
109.06596	1.2
111.08130	1.3
113.02453	2.8
119.03499	0.9
135.08109	0.8
137.09715	1.2
143.03514	0.6
161.04590	1.2
167.14441	0.8
178.78435	0.6
179.05605	0.7
183.13918	6.4
184.14099	0.7
193.12292	1.5
211.13379	85.6
212.13707	4.7
213.14961	1.1
225.09186	0.6
225.14827	0.7
229.99396	0.6
231.17595	1.0
235.08253	1.1
237.15045	0.7
239.16499	1.8
241.18024	1.4
247.13280	0.9
253.09328	5.1
265.18008	0.9
267.19611	1.5
275.16492	1.4
313.25378	0.9
315.26895	2.5
317.28503	1.2
325.25424	5.1
333.27893	1.4
341.24841	1.6
343.26422	4.2
351.23343	1.7
359.25937	4.6
361.27570	3.1
369.24356	6.3
377.27051	1.3
387.20840	1.0
387.25406	11.9
388.25998	1.1
405.26398	23.1
406.26752	1.8
429.21252	1.0
444.05215	0.7
447.22488	4.1
577.27045	0.6
623.34399	2.1
641.35388	100.0
642.35657	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	641.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.1
57.03424	0.2
59.01374	1.5
59.16558	0.1
59.86352	0.1
69.03441	0.3
70.13041	0.3
71.01374	1.6
73.02937	0.3
83.01385	0.1
83.05019	0.3
85.02944	0.4
87.00872	0.3
89.02441	1.0
95.01400	0.1
96.96004	0.5
97.02934	0.1
98.20593	0.1
99.00874	0.1
101.02424	1.3
113.02430	0.6
119.03494	0.3
145.05049	0.3
155.10741	0.2
161.04559	0.5
165.12852	0.2
166.40436	0.1
167.10765	0.3
167.14404	0.6
174.14874	0.1
179.05589	0.3
183.13882	6.7
184.14328	0.3
193.12344	1.5
198.99904	0.1
211.13373	100.0
212.13718	4.9
221.15450	0.3
235.08208	1.4
236.10428	0.3
253.09264	4.0
387.25449	0.7
405.26517	0.5
429.21246	0.8
437.72174	0.1
447.22327	5.9
448.22760	0.6
597.32904	0.2
623.34363	1.2
624.34558	0.2
641.36230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65079	2.4
51.76900	2.0
59.01376	32.4
61.98830	6.3
71.01388	7.7
71.56689	2.4
73.02923	2.6
77.91652	2.1
80.05058	10.1
87.00875	2.7
96.96011	10.4
97.18465	2.4
99.00861	2.7
101.02431	3.9
104.05062	3.0
106.06628	3.2
107.03785	3.8
120.08167	4.9
122.06116	38.3
125.02447	2.7
132.04576	3.6
134.06094	13.4
139.04092	2.8
148.04036	3.1
150.05534	2.8
152.07155	45.9
160.06410	7.9
162.05571	3.8
165.12746	2.3
169.86513	2.2
174.05560	5.6
179.05734	2.4
183.13869	2.9
210.53062	2.2
211.13408	29.4
213.10294	32.9
219.55074	2.2
225.10262	3.0
226.11050	3.5
227.12796	3.3
238.83662	2.3
239.11862	16.6
241.13429	14.4
245.12823	9.7
251.12042	3.2
253.09418	2.7
267.11151	2.4
269.04514	53.6
270.05011	4.2
285.12399	62.2
286.12698	4.3
293.12793	12.4
295.10843	7.0
313.12006	3.8
323.10181	11.4
326.13257	2.7
332.17709	3.2
342.12463	3.1
343.13107	4.5
344.13785	3.0
355.12936	5.6
357.14746	5.5
358.15518	21.8
370.11972	2.7
384.13522	6.1
400.16516	19.1
412.16486	5.0
447.22522	2.9
523.23242	12.1
524.23657	4.2
530.94476	2.9
565.24481	90.1
566.24884	9.8
609.23486	100.0
610.23859	15.4
623.33929	7.0
641.25873	33.0
641.35474	5.5
642.26550	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	641.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79889	0.3
59.01362	0.7
60.50535	0.3
65.03963	0.3
66.30749	0.3
67.79787	0.3
69.22509	0.3
71.01381	1.8
71.43617	0.3
71.56967	0.5
73.02942	0.6
75.00876	0.3
85.02944	1.1
87.00880	0.3
89.02427	0.4
93.03451	42.8
94.03783	1.3
95.04601	0.3
96.96004	0.8
99.00854	0.4
101.02449	0.6
113.02440	0.6
128.03539	0.6
137.02434	100.0
138.02762	2.6
145.94862	0.3
149.04529	0.9
153.01935	0.4
161.04604	0.3
167.32866	0.2
299.07684	28.9
300.08130	1.2
322.08954	0.4
331.13846	0.3
341.10852	0.5
342.42569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03455	2.1
58.00586	0.5
59.01376	20.3
59.96776	0.4
61.98821	0.9
62.91571	0.4
64.33149	0.4
65.03973	1.9
71.01378	15.3
71.21123	0.9
72.99326	1.8
73.02942	4.6
75.00858	0.5
81.03440	0.9
83.01385	2.8
83.05014	4.6
84.41684	0.4
85.02955	4.5
85.06596	1.0
86.00072	0.9
87.00874	6.1
89.02438	6.6
91.05515	0.9
93.03455	0.8
95.01378	1.5
95.05020	1.2
96.96007	1.6
97.02926	0.8
97.06580	3.1
98.57421	0.4
99.00864	1.5
101.02434	11.4
105.07083	0.7
106.04168	0.4
107.08622	0.6
108.02108	0.4
109.06592	2.0
111.00878	0.8
111.04489	0.5
111.08162	3.6
113.02435	6.6
115.03987	0.6
119.03465	1.5
119.05035	0.7
121.06500	0.5
123.08184	2.1
124.01645	0.4
125.02454	0.5
125.09720	12.9
127.11279	0.7
129.01927	0.5
131.03464	0.4
133.05075	0.5
133.06589	0.6
135.08200	0.9
137.09706	1.6
143.03522	0.9
145.05046	3.7
151.11229	0.7
153.09149	0.9
157.04990	0.4
158.64844	0.4
159.08151	0.5
161.04553	3.5
163.11252	1.5
165.12793	0.4
171.10258	35.2
172.10605	1.1
174.27460	0.4
177.12660	0.4
179.05598	0.9
183.13857	1.2
185.11844	1.4
187.09726	0.8
187.14926	1.3
189.12816	0.5
189.16473	1.6
197.13531	0.8
201.12828	1.2
203.14386	0.7
205.15948	3.3
206.16191	0.4
207.13858	1.0
209.09868	0.8
209.11807	13.4
211.13371	16.4
212.13609	1.0
213.12897	0.8
213.14903	0.7
215.14380	9.4
216.14619	0.6
219.13765	0.5
221.15472	2.3
231.13852	3.0
233.15436	34.5
234.15765	1.6
235.08220	6.1
235.13289	1.4
235.17120	0.5
237.14851	0.8
245.15533	0.6
247.13309	0.6
247.16972	1.0
249.14932	17.4
250.15298	1.2
251.16484	1.5
253.09271	3.3
257.17606	0.7
313.25369	0.8
323.23737	0.8
331.26419	3.4
339.23404	0.6
341.24780	3.8
349.21582	0.5
357.24252	1.1
359.25809	2.1
367.22806	3.6
368.23322	0.6
375.25400	3.6
377.26892	0.5
383.79053	0.4
385.23801	24.4
386.24115	2.0
393.26337	1.6
403.24854	30.8
404.25391	3.4
405.17603	0.9
407.19077	1.0
421.25925	8.1
422.26242	0.6
441.26505	0.6
447.22253	0.6
477.28589	0.6
485.23831	1.9
486.24350	0.5
579.23474	0.8
607.22229	0.4
611.34265	2.9
612.35754	0.5
621.32739	100.0
622.33081	14.5
639.33783	37.8
640.33807	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	639.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97332	0.9
55.01876	1.5
57.03445	4.6
58.00571	3.0
59.01377	100.0
61.24784	1.0
61.98808	5.0
66.17796	1.1
69.34908	6.0
69.35316	2.1
71.01382	40.5
72.99303	2.6
73.02943	4.2
75.00862	3.0
83.01383	4.6
85.02949	10.9
87.00861	2.8
89.02441	29.9
93.03448	3.9
95.01363	2.0
96.96007	1.6
99.00871	2.2
99.04517	15.2
99.86117	1.0
101.02442	26.2
104.47060	1.1
113.02451	14.2
119.03509	10.5
121.06573	2.1
125.02462	1.6
131.03493	1.3
137.02435	12.2
143.03473	1.7
160.01547	1.1
161.04538	4.1
165.12822	2.3
175.03967	1.8
179.05611	8.7
189.12851	8.3
191.06992	1.4
205.08517	1.3
207.08656	8.9
207.13860	9.3
209.11815	56.0
210.12181	3.2
251.12897	3.8
269.13797	1.5
301.07043	1.2
323.20612	1.1
359.14972	2.7
360.15204	3.1
361.15567	3.0
389.18332	6.7
391.26746	6.2
431.19162	2.2
441.21332	13.0
442.21890	1.3
459.22333	90.3
460.22791	9.4
621.27307	3.2
639.28583	90.6
640.28998	12.0
661.59021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89225	0.4
55.01883	0.6
56.20335	0.4
58.00586	1.0
59.01378	31.3
60.80975	0.4
61.98845	0.4
63.58849	0.4
70.03609	0.4
70.82307	0.4
70.82640	0.8
71.01379	19.6
72.99309	1.2
73.02950	0.9
77.46192	0.4
83.01360	0.9
85.02949	4.7
87.00848	0.7
89.02440	22.7
93.56683	0.4
95.01359	1.6
96.96012	0.9
101.02437	13.9
109.02924	0.6
113.02444	8.7
113.03168	0.8
119.03496	8.6
131.03491	0.7
135.04483	0.7
137.02437	0.6
143.03458	0.6
149.04594	0.8
151.00313	0.6
153.05560	0.4
161.04492	0.9
179.05603	1.4
194.52515	0.5
225.44519	0.4
297.73416	0.4
320.09039	0.8
323.13443	100.0
324.13843	5.6
335.09897	0.5
351.05762	1.3
417.14270	0.6
424.06891	0.5
639.11591	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13563	0.7
57.03442	1.2
57.64110	0.7
59.01377	12.5
61.59292	0.7
62.75638	0.7
70.24554	0.6
71.01376	5.3
73.02937	2.0
74.53976	0.8
75.00871	1.3
83.01398	0.8
85.02944	3.5
89.02435	2.1
91.05563	1.0
93.03490	1.5
96.96024	1.3
99.00860	1.7
101.02448	4.5
105.05586	1.1
113.02425	2.1
117.03502	1.0
118.49609	0.7
121.02950	5.0
122.03754	4.5
123.04475	1.0
132.02164	7.0
133.02946	2.6
134.03735	18.4
135.04503	1.7
137.02408	1.4
138.93126	0.8
146.03723	0.9
147.04579	0.9
149.02435	11.3
149.06058	3.0
150.03218	34.5
151.03600	1.1
160.01645	45.7
161.02177	1.5
161.04549	2.0
162.03270	0.8
164.04779	1.7
165.04182	1.4
165.05550	30.2
166.05852	1.0
175.03987	62.6
176.04398	2.0
177.02051	0.8
177.05557	1.0
178.02719	1.4
178.05936	0.7
179.03558	1.1
179.07031	1.0
180.04294	2.5
193.05054	19.0
194.05540	1.1
195.06624	15.9
196.06761	1.0
211.13348	1.0
239.07069	0.9
241.14478	1.1
245.09236	1.3
250.06421	1.9
267.07208	1.1
281.93835	0.8
282.08966	3.5
283.08386	0.8
337.09125	0.9
341.10242	13.0
342.10352	1.3
371.11407	1.0
389.12320	1.3
409.82913	0.8
443.15543	100.0
444.15991	7.5
477.23572	1.0
535.31110	1.1
576.14380	2.3
591.21021	3.1
621.22418	1.0
639.23407	11.2
640.22992	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	639.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27966	0.5
56.27847	0.6
59.01369	0.8
70.32870	2.4
71.01378	6.3
71.12740	0.7
72.99286	0.7
73.97056	1.0
82.02979	4.0
85.04070	27.1
86.02488	1.4
87.05630	7.5
88.04044	6.3
102.00175	4.8
109.04063	1.5
110.10378	0.6
110.53306	0.6
111.60135	0.6
113.02540	0.7
113.03542	1.0
117.01286	2.4
119.02838	2.8
120.01292	1.0
127.05125	7.3
128.03537	68.4
129.03883	1.1
135.04694	0.6
135.05638	3.7
136.88493	0.6
145.06187	2.0
152.08269	5.2
153.06677	3.2
157.06178	41.9
158.06516	0.8
159.07747	3.3
160.00708	0.8
166.06216	3.3
169.06152	1.3
174.02281	13.6
175.02484	0.6
178.06213	2.4
179.04628	6.6
179.79248	0.6
184.04857	1.8
184.07248	1.7
189.03381	0.8
191.04936	3.2
196.07243	10.9
197.05670	1.8
212.05121	0.8
214.08237	1.5
224.10356	2.2
242.11501	1.5
248.07076	2.0
261.43979	0.7
268.09421	4.9
286.10416	17.3
287.10709	0.7
302.08112	3.8
318.07599	9.2
320.09171	100.0
321.09424	5.4
351.05545	1.4
352.06302	8.5
353.06793	0.8
354.10263	0.6
510.13422	4.6
621.16589	2.9
639.17566	42.2
640.17511	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01378	2.4
59.36988	0.3
61.98840	0.6
65.00324	1.4
65.53550	0.3
69.81159	1.5
71.01378	2.6
72.99326	0.4
73.02920	0.4
75.00874	1.4
80.02691	0.4
83.01380	2.3
85.02955	2.0
87.00890	0.8
89.02433	0.7
95.01373	0.7
96.96053	0.4
99.00869	0.3
101.02461	0.7
101.25970	0.3
107.01395	3.7
108.02183	2.9
113.02423	1.6
115.00443	0.4
121.02990	0.4
123.00885	0.3
124.01673	0.6
125.02441	4.6
129.01868	0.3
132.02185	0.6
132.84581	0.3
134.03738	7.5
135.04514	1.1
136.01649	3.3
137.02362	0.3
147.66055	0.3
149.02458	0.9
149.06079	1.7
150.03197	0.9
151.00365	10.8
151.86646	0.3
152.01161	0.3
158.03748	1.2
160.01651	2.9
164.01155	9.9
165.01877	1.0
165.05586	0.9
173.06036	0.8
174.03212	3.9
175.02507	0.6
175.03973	4.2
177.01924	0.7
180.04240	0.6
185.02446	0.4
187.04034	0.5
188.04822	0.5
191.07146	0.4
193.05028	1.0
195.06651	1.1
196.00124	5.5
198.03239	0.5
199.04022	4.3
200.04805	2.0
201.01900	3.8
202.02528	0.4
213.05585	0.6
214.06310	1.0
215.03537	1.8
215.07147	0.7
216.04271	1.1
217.05121	1.0
224.04794	0.3
225.05617	0.5
225.07597	0.6
227.03476	1.2
230.05782	0.4
233.08223	0.4
240.04289	0.9
241.04999	2.0
242.05843	6.7
243.06277	0.4
257.08179	3.3
258.05322	2.3
258.08151	0.5
259.05838	0.4
268.03784	0.9
281.24063	0.3
282.08908	0.4
283.06113	1.4
285.04111	1.4
286.04816	8.4
287.05066	0.4
301.07156	100.0
302.07492	6.6
320.09335	0.5
337.07727	2.8
341.10367	2.1
343.08151	0.4
359.14954	0.3
361.15707	0.3
397.09662	0.3
413.14682	1.6
443.15561	3.5
459.21970	0.4
591.20776	0.7
607.21198	0.3
639.15601	22.2
640.15863	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	639.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01391	1.8
63.02404	2.4
65.00321	6.4
69.33711	4.5
71.01406	1.9
75.00901	1.7
78.89603	0.5
81.35313	0.5
83.01379	4.0
83.26056	0.5
85.02964	1.0
87.00891	1.0
97.62878	0.5
99.00877	0.6
101.02473	0.5
107.01379	10.2
108.02213	2.8
113.02464	1.6
123.04556	1.7
125.02468	2.0
128.03539	0.6
129.33614	0.5
132.02220	0.7
133.03038	0.5
134.03737	13.3
134.04721	0.9
135.04349	0.5
136.01678	1.1
147.02972	0.5
149.02509	0.5
149.06073	10.1
150.03224	2.0
150.32285	0.5
151.00357	37.0
152.00731	1.2
160.01634	2.8
164.01155	5.3
165.01932	1.7
165.05582	1.6
174.03236	1.1
175.03955	4.0
177.01965	2.8
193.05099	1.4
195.06537	1.3
196.00165	1.3
199.04042	0.8
200.04735	0.5
201.01900	1.1
207.01212	0.5
241.04964	0.6
242.05856	0.9
257.08200	0.7
284.03168	1.0
285.03745	1.6
286.04501	1.9
299.05603	1.9
300.06006	1.4
301.07141	100.0
302.07486	7.2
316.28253	0.5
337.07776	2.5
443.15475	5.8
616.62427	0.6
639.15393	17.4
639.23810	1.1
640.16095	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	639.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.0
57.03553	1.6
59.01165	3.4
59.01501	8.2
64.10411	0.8
65.00089	1.5
65.00459	4.0
65.33720	0.6
68.99924	1.1
69.19817	0.7
71.01083	4.9
71.01517	16.7
71.55932	1.2
72.98987	3.3
72.99453	12.0
73.03074	1.8
75.00562	1.5
75.01020	7.3
83.00703	0.9
83.01543	3.6
84.33795	0.6
85.02541	3.5
85.03113	18.2
87.01035	4.4
88.04206	6.1
88.98425	1.1
88.98939	2.1
89.02613	3.8
95.00913	1.5
95.01563	4.5
96.96189	3.7
98.10126	0.9
99.00357	1.1
99.01053	7.5
101.02616	3.7
103.00546	4.3
107.01566	8.9
109.03071	1.2
111.01010	1.2
113.01752	2.7
113.02627	29.2
115.00555	3.8
116.38909	0.7
117.02115	2.3
125.02625	3.6
129.02061	1.7
131.03680	2.1
132.03210	9.6
133.01608	0.7
133.03255	1.1
134.03912	3.4
135.03572	2.3
135.04703	32.9
149.02652	0.7
149.06146	0.9
150.03204	3.8
151.00362	41.4
151.04051	1.0
152.00851	1.5
157.01588	1.4
160.01834	0.9
161.02585	1.7
165.05765	2.8
165.88127	0.8
167.03625	1.0
175.02641	5.7
175.04019	1.5
177.02071	0.9
179.03502	0.8
179.29988	0.8
193.01740	1.4
193.03673	12.8
193.05144	2.4
235.04654	1.8
249.06271	2.7
250.07182	7.3
251.07419	3.4
253.07733	0.7
255.06778	0.9
285.04083	1.2
287.05594	8.3
289.05716	1.8
299.92929	0.7
320.09213	1.2
329.06586	1.1
333.04510	1.7
343.06870	1.0
351.05652	100.0
352.05923	5.7
353.06067	0.9
505.09515	1.3
639.11035	27.6
639.19281	5.1
640.11658	3.0
658.09851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1202
Annotation	Herbacetin 3-glucuronide-8-glucoside
Peak:m/z	Relative Intensity
53.08409	0.5
57.03431	1.1
59.01373	4.1
61.98833	3.9
63.02394	0.7
65.03919	0.5
69.65440	1.3
69.65853	2.4
71.01366	4.3
72.99300	1.5
73.02923	0.7
78.46782	0.5
83.01366	1.0
85.02950	3.8
87.00873	1.6
88.98823	0.5
89.02426	1.5
91.37748	0.6
95.01395	1.1
96.95995	2.6
99.00877	1.6
101.02423	1.0
103.00365	0.6
107.01369	2.4
107.96448	0.5
108.02134	0.8
109.02325	0.7
109.02957	7.6
113.02429	4.9
115.00368	0.5
117.01949	0.8
119.05006	1.7
121.02905	0.9
123.00878	1.0
123.04510	0.7
125.02412	1.1
133.02940	0.7
135.00867	2.1
135.04521	2.1
136.01662	1.5
137.02452	1.0
148.01683	0.5
149.02425	1.2
150.03143	0.8
151.00360	9.1
151.03957	1.0
153.01927	1.0
162.05597	0.5
163.00349	3.2
163.04008	2.3
164.01019	0.6
164.04399	0.6
175.02446	1.7
177.05594	0.5
178.99840	4.1
179.03442	0.6
190.02614	0.6
191.03377	0.8
199.03862	0.6
203.03447	0.5
216.04178	0.7
226.02733	3.6
227.03310	1.9
242.05820	0.6
243.02969	9.6
244.03438	0.8
252.04233	0.7
253.04796	0.9
254.02168	5.2
255.02892	6.7
255.05635	0.7
255.06464	0.5
258.05222	1.5
271.02448	50.3
272.02933	4.3
273.07678	8.5
283.10110	0.6
287.05460	0.9
299.01913	0.8
300.02731	62.8
301.03418	20.3
301.07144	19.4
301.10617	0.5
302.03763	1.1
313.09247	0.7
314.04230	0.6
315.04718	1.0
317.74838	0.7
320.09195	1.1
337.07492	0.7
341.09515	0.6
343.04422	1.1
349.83920	0.6
351.05771	5.9
416.10666	0.7
463.08780	100.0
464.09070	9.0
477.06528	0.6
505.09827	2.2
535.10724	2.1
547.10394	0.6
549.48523	0.6
559.10876	0.7
639.11761	15.9
640.12415	1.5
640.22406	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	638.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77604	0.7
58.02971	12.3
58.93551	0.7
59.01362	3.3
60.99298	2.7
61.98824	2.3
66.40603	0.8
70.00973	1.0
70.01373	2.1
70.02975	4.9
71.01368	3.5
72.00910	2.4
72.99294	1.0
74.00620	0.7
78.91290	0.8
81.22046	0.7
87.00896	1.0
88.98800	13.2
89.02453	1.9
91.05520	3.1
94.39713	0.7
96.96004	1.8
113.02426	2.2
115.00380	2.2
119.05016	1.8
120.05296	0.8
123.04501	0.7
128.03519	1.0
133.01421	2.6
134.03731	2.2
135.04523	0.9
139.04070	1.2
147.04518	20.8
148.04839	1.3
149.06126	0.8
150.03212	1.7
151.03926	1.0
161.02390	0.7
162.05606	4.3
162.09236	1.1
163.03973	3.7
164.04343	2.6
164.07153	55.6
165.05559	1.0
165.07474	1.8
175.04120	0.8
179.03519	0.9
185.09914	0.7
193.05042	2.1
195.06664	1.4
206.08203	100.0
207.08591	5.5
218.05276	0.8
264.08698	0.8
285.03900	0.9
286.04425	1.4
300.12381	3.1
347.29062	0.9
351.05524	1.6
448.10013	0.7
473.09848	0.7
504.18723	1.6
534.26440	0.9
580.26270	0.9
612.07257	0.7
627.16797	0.8
639.20013	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48156	0.5
58.39610	0.6
58.39915	0.5
59.01376	100.0
60.01717	1.0
61.98831	2.2
67.06505	0.5
68.23798	0.5
69.72914	1.1
69.73328	2.0
71.01389	1.9
73.02964	1.3
75.00870	0.8
85.02945	0.8
88.98797	1.3
89.02484	0.5
96.96027	2.7
101.02420	1.0
112.80871	0.5
113.02460	0.9
125.02441	0.6
135.04617	0.5
163.03975	6.0
163.05008	0.5
178.06354	9.1
179.06645	0.5
193.08676	20.5
194.09135	0.7
209.03487	0.5
218.99854	0.6
219.83676	0.6
231.58347	0.6
237.22714	0.5
241.64955	0.6
247.65958	0.6
258.43167	0.6
283.06198	1.2
351.33832	0.6
613.53113	0.6
637.33612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
57.03438	0.3
59.01376	5.2
61.98824	0.3
65.03959	0.6
71.01377	2.4
71.56582	0.2
73.02942	0.8
75.00863	0.5
83.01392	0.5
84.95123	0.4
85.02952	1.2
87.00888	0.4
89.02461	0.5
93.03452	44.7
94.03767	0.8
95.01387	0.3
96.96007	0.5
99.00889	0.4
101.02441	1.5
108.18221	0.2
113.02434	1.0
119.03512	0.2
125.02465	0.3
137.02435	100.0
138.02766	2.7
150.03239	0.2
151.04047	0.2
160.01672	0.4
161.02501	0.5
161.04565	0.5
167.03500	0.2
175.04044	0.4
179.03464	0.5
187.09772	1.7
194.05846	0.4
195.13860	0.3
209.08189	1.4
223.06180	0.2
229.03624	0.4
251.47440	0.2
269.10233	0.3
285.04031	0.2
299.07730	4.4
323.07986	0.3
337.09396	0.3
367.06638	1.3
371.24493	0.2
389.25397	2.7
390.25726	0.3
394.71112	0.2
427.16098	0.5
429.20868	0.2
504.02841	0.2
593.32965	0.7
637.17548	0.7
637.27979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.7
61.98829	0.7
71.01378	3.1
71.58328	0.4
72.99306	1.7
73.02961	0.8
75.00871	0.9
78.22964	0.5
83.01375	0.5
84.09367	0.4
85.02934	2.8
87.00892	0.9
88.98800	2.5
89.02459	1.0
95.01434	0.5
96.20822	0.4
96.96002	2.5
99.00863	0.9
101.02461	1.5
103.00385	0.5
111.83510	0.5
113.02462	2.7
119.05022	2.9
127.00117	0.4
132.02167	1.9
133.02954	1.3
134.03725	0.4
135.04517	0.7
148.04060	0.5
153.22612	0.5
163.04018	2.9
175.02434	0.7
193.03528	1.1
193.05193	0.5
195.04536	1.3
195.06532	0.4
208.05354	1.4
211.02919	0.4
223.04008	4.1
224.04735	1.9
225.05525	0.5
236.14380	0.4
241.05334	0.4
251.03459	4.5
252.04263	49.5
253.04965	16.4
254.05476	0.6
282.07782	0.7
282.48117	0.6
285.04071	9.9
295.06146	1.4
297.09998	2.1
299.05261	0.5
311.05585	0.6
312.12329	3.3
327.05118	0.9
335.78833	0.4
351.05682	6.2
415.10315	100.0
416.10593	7.6
429.08154	0.5
447.09250	0.7
468.69528	0.5
547.09979	0.5
601.22290	0.5
637.09979	2.7
638.11194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04576	0.6
57.03441	1.6
59.01376	15.1
61.98830	7.0
65.00339	0.8
69.03477	0.6
69.51258	2.9
69.51664	1.0
71.01379	10.0
72.99309	1.2
73.02939	4.4
75.00877	1.2
77.03558	0.6
77.03954	3.0
79.01872	1.3
81.03444	0.9
83.01368	2.8
85.02952	5.0
87.00868	1.1
88.98811	0.8
89.02460	1.9
91.05553	0.7
93.03445	3.7
95.01369	1.3
96.96008	3.1
97.02953	1.6
98.20644	0.8
99.00880	1.5
101.02433	7.4
105.03459	1.5
109.02941	0.6
113.02449	4.8
117.03458	15.6
119.05035	1.5
121.02958	7.1
123.04523	1.3
125.02440	2.2
132.02179	0.6
133.02942	0.6
135.04515	3.3
137.02400	1.5
143.03462	0.9
145.02963	1.5
147.04471	1.7
148.01686	1.2
148.05264	4.4
149.02432	21.0
150.03026	0.6
151.00342	0.6
159.03169	0.6
159.04510	2.5
161.02440	6.6
161.04568	5.4
163.00400	1.6
163.04030	5.0
163.07593	4.1
164.04752	8.0
165.01913	0.9
167.03595	0.7
171.04378	0.7
173.02463	1.3
174.01659	0.7
175.00371	1.0
175.03996	0.9
179.03490	1.0
179.07094	1.1
183.13907	1.4
185.02437	0.6
189.01907	0.9
190.02672	1.1
191.03487	2.0
193.01372	1.4
196.05299	0.8
197.06061	1.4
203.03499	1.7
205.05066	1.1
207.08719	9.2
209.06117	0.7
215.07030	0.8
223.06111	3.6
226.76323	0.7
227.12822	1.1
229.03453	1.0
233.04361	0.6
237.05565	1.0
239.07117	1.8
240.04008	0.7
241.05031	0.7
253.05206	1.4
265.07190	0.7
267.06650	1.1
268.03696	2.7
269.04510	7.1
275.07693	13.6
281.04535	10.1
282.05328	4.5
283.06107	52.8
284.06506	2.7
293.04456	4.5
295.05930	4.5
297.04099	0.8
309.04227	1.0
311.05579	100.0
312.05914	6.6
314.04086	0.9
323.05563	12.6
324.06015	0.7
325.07162	2.2
325.12820	1.0
327.25400	1.0
341.06595	11.4
342.06937	1.2
343.24850	2.3
353.06595	2.5
373.25952	5.1
389.25528	5.9
393.11819	7.4
398.14697	0.6
413.08746	51.8
414.09045	4.2
415.27084	1.0
431.09769	16.0
437.12701	0.9
445.11191	1.8
515.32507	0.7
593.34412	3.5
601.21240	2.6
607.80646	0.7
616.31079	3.0
616.80945	2.0
636.44104	1.1
637.15546	47.5
637.32941	2.2
638.15979	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	637.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.3
71.01381	3.4
71.55418	0.5
72.93313	0.3
72.99321	0.5
73.02952	0.4
75.00874	1.4
75.91833	0.2
76.85338	0.2
78.32239	0.2
83.01392	0.7
85.02936	1.9
85.04028	0.3
87.00874	1.0
89.02448	0.9
95.01371	0.4
96.96010	1.1
98.85710	0.3
99.00877	0.4
101.02438	1.1
103.82757	0.3
107.01391	0.8
113.02432	1.9
115.00332	0.3
128.03493	0.4
134.03748	1.2
137.02419	0.6
149.02466	0.4
150.03183	0.5
151.00368	1.1
154.99829	0.4
161.04504	0.3
165.05547	1.0
178.02676	0.4
184.03018	0.7
193.05052	0.8
200.04840	0.4
211.04079	0.4
212.04778	0.3
227.03519	0.5
227.07159	1.0
228.04123	0.3
239.03389	0.3
255.02927	0.8
256.03705	2.6
283.02386	0.6
284.03244	61.5
285.03738	5.6
299.05588	100.0
300.05927	5.8
320.09210	1.3
327.73041	0.3
337.07712	1.7
389.12344	1.1
393.79343	0.4
431.13293	0.4
447.09515	0.4
449.20404	0.4
489.10254	0.4
517.26288	2.3
535.27460	1.0
577.11859	0.4
577.28510	0.4
619.13232	1.6
637.14038	14.2
638.14154	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	637.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25178	0.6
57.03458	1.8
59.01377	16.0
61.98825	1.3
65.00325	1.0
69.03452	1.3
71.01379	21.8
72.99304	13.7
72.99693	0.9
73.02930	3.6
75.00869	7.0
80.51485	0.6
81.83672	0.6
83.01400	3.2
85.02943	18.5
87.00872	4.2
88.04040	8.8
88.98814	2.1
89.02440	5.9
89.04404	1.1
94.31569	0.6
95.01386	4.3
96.96031	1.6
99.00881	6.5
100.64179	0.6
101.02435	5.4
101.02905	0.5
103.00363	4.1
107.01398	1.8
109.02937	1.4
111.00895	0.9
113.02443	28.0
114.01991	0.8
114.02748	0.8
115.00378	3.3
117.01959	1.3
117.03481	0.6
119.03485	1.1
129.01959	1.4
131.03510	1.7
132.03021	11.9
133.01431	1.0
133.02896	7.8
134.03708	1.2
135.04486	0.6
137.02258	0.8
147.04483	0.9
149.02460	1.8
151.00343	3.6
151.04019	0.8
157.01448	1.1
161.02428	0.9
161.04544	1.1
164.07144	0.8
165.05542	1.2
171.04466	0.6
175.02460	4.9
175.04005	3.2
193.03503	11.4
193.05081	2.1
195.06648	0.8
199.03995	2.9
201.01904	1.2
204.66513	0.6
206.08246	2.7
207.08653	1.0
217.05098	1.4
217.79890	0.6
241.04936	1.4
242.74103	0.6
243.02809	0.6
250.07213	7.4
251.07594	3.5
253.05020	14.4
254.05452	0.8
257.04321	0.8
285.04022	100.0
286.04364	7.2
289.05499	0.8
297.04034	1.0
299.05368	1.4
325.07349	1.0
327.05042	4.3
333.04422	1.3
341.10193	0.7
351.05640	68.3
352.05984	2.5
357.05920	1.1
389.12329	1.3
399.06763	0.9
447.09262	2.8
503.12021	1.3
532.25250	0.7
533.25446	2.9
551.26556	2.1
593.28082	1.0
605.67181	1.0
636.99725	1.5
637.10303	29.4
638.10553	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1044
Annotation	6-Hydroxyapigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
51.34239	0.3
54.62167	0.3
55.01875	0.4
57.03449	1.7
58.00591	0.7
59.01376	11.9
61.98821	0.5
65.00313	0.7
66.72285	0.4
67.01898	0.7
69.03453	0.7
69.54388	2.0
69.54799	0.9
71.01380	17.2
72.99305	13.6
73.02937	3.0
75.00866	7.4
83.01378	3.4
85.02949	18.5
87.00855	3.2
88.98819	0.5
89.02442	3.4
95.01390	4.7
96.95989	0.5
99.00880	6.9
101.02454	2.6
103.00359	4.1
107.01402	1.9
109.02951	0.5
111.00857	0.9
113.02444	24.1
115.00356	2.6
116.92866	0.8
117.01945	1.6
121.02937	0.5
129.01947	1.1
131.03491	1.6
133.01410	1.3
133.02943	8.9
134.03716	0.6
147.04602	0.7
149.02425	1.6
151.00368	4.6
157.01389	1.3
163.03944	0.5
164.07152	1.3
165.05646	0.6
175.02467	4.2
175.04007	2.4
193.03494	10.6
193.04987	0.5
195.06538	0.6
199.04010	2.6
201.01962	1.1
206.08247	1.8
213.05518	0.5
217.05028	1.7
235.04546	0.9
241.05037	0.6
243.02927	0.7
252.70210	0.4
257.04547	0.6
284.03204	1.0
285.04022	100.0
286.04364	4.6
289.05612	1.2
327.05035	2.5
333.04526	1.0
339.04941	0.4
351.05646	63.9
352.05972	2.6
357.06186	1.2
381.05844	0.6
389.12234	0.4
461.07120	0.7
462.59122	0.4
475.12750	0.5
503.11816	0.6
637.10382	28.6
638.10797	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	636.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	10.4
59.01381	5.6
59.73466	0.4
60.84656	0.4
63.13247	0.3
65.34882	0.4
69.83365	2.1
69.83731	0.6
70.02974	5.2
71.01374	3.2
72.00893	2.4
72.99305	0.4
75.00877	0.5
77.26088	0.4
85.02950	1.2
87.00902	0.5
88.04037	1.0
89.02449	1.8
91.04999	0.5
91.05539	4.2
96.96019	1.1
101.02416	2.0
113.02454	2.0
114.68646	0.4
116.92876	0.6
119.03476	1.0
132.03023	1.0
133.02953	0.5
134.03760	0.7
147.04523	20.6
149.02318	0.4
150.03220	0.7
152.52454	0.5
158.59856	0.4
161.02118	0.4
161.04596	0.6
162.09218	0.8
163.04092	0.4
164.07158	56.1
165.05580	0.5
165.07460	1.9
168.33908	0.4
188.53758	0.4
193.04999	1.0
195.06648	0.9
196.49254	0.4
196.94247	0.4
200.98405	0.4
206.08206	100.0
207.08540	3.5
250.07187	2.1
251.07581	0.5
264.08359	0.4
270.50629	0.4
283.05786	0.5
285.04062	3.3
302.09009	0.4
315.62732	0.4
349.28647	0.4
351.05820	2.4
425.49417	0.4
429.39401	0.4
445.25800	0.4
532.24506	2.8
550.25964	1.5
592.27441	0.6
630.60675	0.4
636.22345	1.1
637.10284	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	635.387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53585	18.6
59.01371	26.0
63.69330	20.0
78.95889	34.5
98.20655	59.0
98.63713	20.8
99.22431	22.5
143.39986	22.0
217.34520	23.2
274.46808	23.9
279.23441	100.0
280.23590	83.1
456.33307	23.0
488.40878	22.9
635.39246	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42319	0.9
57.79049	0.9
59.01374	8.5
63.20153	0.8
71.01376	10.2
71.81197	1.2
72.99304	1.2
73.02949	1.7
75.00888	0.9
85.02966	2.4
88.04038	70.0
89.02441	3.2
91.05524	3.4
96.95999	2.7
98.19914	2.2
101.02448	3.6
113.02455	3.5
114.01969	4.8
115.00368	13.4
119.03522	1.4
132.03021	99.2
133.03372	1.7
135.04529	4.6
161.04492	1.8
195.94345	1.1
206.08133	1.7
229.54675	1.1
244.00874	0.9
250.07184	100.0
251.07486	4.7
273.10703	0.9
285.04111	8.9
324.14841	1.0
330.12857	1.0
333.47360	1.0
341.12595	1.2
345.19943	1.1
351.05737	5.9
359.61969	1.0
531.24146	1.1
532.24628	4.3
550.25751	2.2
637.10693	1.6
652.51477	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	635.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.0
58.00573	3.7
58.68526	1.3
59.01379	100.0
67.88496	1.1
69.19727	10.6
69.19984	1.7
71.01379	58.1
72.99306	4.4
73.02949	10.3
83.01383	5.4
85.02940	17.8
87.00864	4.7
89.02440	42.8
95.01389	4.9
96.94382	1.1
96.96006	5.2
97.02968	1.1
98.20683	2.6
99.00874	2.3
101.02435	31.9
103.01757	1.2
113.02444	41.5
119.03499	17.8
124.01732	1.4
125.02451	3.0
131.03476	3.4
137.09689	1.7
137.97406	1.5
143.03471	3.5
149.04544	2.5
159.02904	1.8
161.04541	15.8
179.05626	9.6
189.12802	1.7
207.13846	1.6
298.97946	1.3
335.08212	1.4
353.06680	1.9
369.19089	3.0
372.66647	1.1
387.20117	3.4
462.09879	1.2
531.24414	86.9
532.24774	11.3
549.25519	59.1
550.25818	6.8
563.13745	1.9
591.26556	20.9
592.26624	3.0
625.08838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69076	0.5
50.97290	0.4
58.96703	0.5
61.98827	100.0
66.17561	0.5
86.43105	0.5
88.14330	0.5
98.20726	1.3
106.26453	0.4
113.24506	0.6
155.35521	0.6
164.43016	0.5
239.03473	1.4
251.06595	0.5
254.05687	2.7
269.08182	3.4
313.04904	0.6
357.03998	2.2
357.07809	0.8
372.06308	4.3
387.08563	5.6
419.11313	11.1
420.11594	0.8
569.14661	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	635.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16565	1.1
55.01876	1.7
57.03436	2.9
58.00587	1.7
59.01376	100.0
63.19114	1.1
64.12582	1.1
69.38593	9.2
71.01379	65.3
72.99312	4.2
73.02945	25.3
83.01379	9.7
85.02944	23.9
86.03349	1.1
87.00873	4.8
89.02441	34.2
95.01375	7.2
96.96017	1.4
97.02937	1.2
98.20637	1.4
99.00873	3.1
101.02438	37.6
107.34042	1.0
113.02449	47.6
119.03493	13.1
124.01713	1.8
125.02435	3.5
131.03529	2.4
143.03499	4.5
148.83711	1.1
149.04561	1.5
150.03174	1.1
161.04541	16.1
163.96892	1.1
165.01892	1.2
175.03987	2.4
179.05635	7.2
193.04962	1.9
206.08217	2.3
207.13945	1.3
211.90424	1.1
241.58047	1.2
278.39197	1.2
342.51633	1.1
369.19238	4.5
387.20203	3.5
400.45673	1.2
413.09177	1.4
413.14499	4.0
431.09930	2.0
443.15561	1.5
459.09253	4.2
531.24463	88.9
532.24872	10.6
549.25452	54.3
550.25690	5.4
591.26532	23.1
592.26727	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.5
69.66019	9.2
71.01369	4.9
74.79706	1.4
82.46030	1.4
85.02953	3.1
89.02460	1.6
96.95996	5.4
99.00867	1.9
101.02430	2.0
107.03748	3.7
110.06143	7.7
113.02434	2.6
120.08193	45.8
121.05318	4.4
122.06119	80.9
123.06396	1.5
134.06137	2.3
144.04526	7.7
160.04079	1.5
161.04581	1.3
164.07172	3.0
170.76273	1.4
172.07721	1.7
174.05524	7.2
200.07211	1.8
201.46637	1.4
203.05852	8.6
204.06708	3.6
215.11661	1.8
236.09538	5.9
237.10234	7.5
238.10968	1.5
239.11917	2.3
241.13478	1.9
248.09575	2.5
249.10382	3.2
249.14096	2.3
250.11110	2.6
251.11903	33.8
252.12495	4.6
263.08249	6.5
263.11917	8.1
264.08975	7.6
265.09793	2.7
265.13364	7.3
266.10468	3.2
268.08643	1.9
269.04495	3.0
269.09366	2.3
276.09003	6.1
277.09787	29.5
278.10553	14.1
279.11301	6.9
281.09348	2.1
281.12939	1.7
282.09995	5.0
283.10852	2.7
287.13962	2.2
291.11353	35.7
292.12146	45.3
293.12924	40.3
294.13489	3.6
295.10904	2.2
296.11621	2.7
310.09518	1.7
313.11789	3.1
324.11163	6.1
325.11923	2.5
335.10303	9.9
336.11118	15.5
337.11902	9.1
338.12338	1.6
343.12872	2.5
359.16443	2.6
360.17148	5.3
372.17227	13.8
373.17786	3.1
374.18762	4.6
386.15033	3.3
390.18137	5.9
400.16754	3.6
402.18124	4.7
403.19235	2.1
405.16910	2.1
406.17450	2.9
414.18179	14.9
415.18793	3.7
418.17886	9.3
432.19235	12.5
433.20215	3.0
436.18460	3.0
447.17676	2.5
458.16916	5.8
459.17908	5.5
476.18301	28.5
477.18839	16.5
478.19824	6.8
490.19772	12.8
493.25952	2.2
495.24023	2.5
508.20853	85.8
509.21692	11.2
513.24664	2.4
525.24860	5.8
537.24884	13.4
538.24969	2.5
555.26001	20.6
556.26276	3.9
569.24133	5.8
581.23987	18.9
582.24341	2.4
599.25073	100.0
600.25366	15.6
601.28009	3.0
613.26465	12.3
631.27673	73.1
632.27917	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	629.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36471	0.6
53.96000	0.6
58.11205	0.6
59.01373	12.0
70.78086	1.7
71.01370	0.8
94.06642	1.4
96.96038	0.8
99.01024	0.6
99.72009	0.7
106.06659	1.1
110.06097	5.6
120.04547	1.2
120.08202	3.2
121.05320	3.5
122.06115	26.6
123.06442	0.7
130.06621	1.7
134.06128	7.4
144.04532	3.5
160.04108	0.9
160.06403	8.3
161.04756	3.5
162.05580	1.9
167.38022	0.6
170.55202	0.6
174.05583	10.5
186.05576	0.9
187.06387	0.9
188.03465	1.0
193.03792	1.1
203.05888	2.7
203.11902	1.5
211.08702	1.8
213.10309	41.6
214.10640	1.9
214.12477	0.7
215.11844	2.6
223.08670	0.8
225.10239	3.3
226.11058	4.4
227.11644	0.7
236.09486	1.5
237.10289	1.4
239.11893	20.9
240.12476	1.2
241.13432	20.0
242.13759	1.1
249.10243	1.0
251.11810	4.6
258.10013	0.9
267.11310	2.1
275.11807	0.9
277.09756	0.8
278.10602	1.2
281.09283	1.1
283.10818	4.2
285.12427	100.0
286.12769	4.9
291.11450	1.2
293.12930	8.7
301.11807	4.8
311.10419	2.3
313.12164	1.7
314.13086	1.0
325.11786	0.9
328.10803	2.6
328.14523	1.5
329.11215	0.8
330.16077	1.7
340.10828	1.2
341.11496	1.8
342.12360	1.4
342.16190	1.0
343.13162	6.0
344.13846	1.4
344.17654	3.9
345.18259	2.1
346.19238	1.3
354.12299	1.2
354.16104	4.2
355.13092	2.4
356.13986	11.3
356.18179	0.8
357.14557	2.0
358.15399	1.3
368.17581	2.7
369.14520	2.0
369.18454	1.6
370.15552	19.1
371.16348	6.4
372.17120	8.3
380.14120	1.0
382.11819	1.9
383.12488	1.9
384.13037	3.0
384.17563	1.3
385.17984	1.8
396.13373	1.1
397.14331	2.1
398.15082	15.9
399.15448	1.8
403.15430	6.3
411.76422	0.7
412.16693	9.7
413.17380	8.6
414.18015	1.3
416.16010	1.2
428.16104	0.8
457.16727	0.9
467.24481	0.8
475.41031	0.7
481.22333	2.1
485.25513	2.6
493.22388	4.9
509.25504	1.1
511.23514	12.6
512.24048	1.7
523.23584	4.9
529.24628	0.9
535.23450	22.1
536.23865	3.3
553.24542	64.0
554.24658	8.1
556.23206	3.4
557.23688	0.8
567.22107	1.8
579.22577	10.4
580.22687	1.1
585.27051	1.4
597.23517	83.2
598.23840	12.4
599.24811	1.5
611.25208	5.0
629.26105	41.8
630.26392	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	627.2096
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
54.33211	0.2
64.55299	0.2
69.53652	1.5
73.03022	0.9
106.40305	0.2
437.11966	1.0
438.12979	1.1
439.13513	0.3
447.05792	0.2
450.13049	0.3
451.14047	1.2
452.14844	3.1
453.15396	0.6
455.10104	0.4
455.16968	0.2
465.16379	0.4
466.16223	0.7
469.11615	0.6
479.17267	0.7
480.14096	1.2
481.15036	8.4
482.15430	1.3
483.20609	0.3
484.13937	0.4
488.14465	0.2
492.13794	0.3
493.15210	1.1
494.15826	1.2
495.16739	16.8
496.17188	2.3
498.15283	0.3
507.16403	1.1
508.17850	1.9
509.18732	1.4
512.13135	1.0
521.14392	1.1
522.15295	0.6
523.17218	1.0
523.19025	1.0
526.15094	0.7
528.16864	0.3
533.18359	0.6
535.16376	1.9
536.16895	3.1
537.17224	0.4
539.15820	0.5
540.16840	3.7
541.16644	0.6
551.19373	38.7
552.19580	6.1
553.17236	0.9
554.18573	1.4
555.18781	1.3
567.18799	0.6
568.15289	1.1
572.15381	3.0
573.15991	0.4
586.16992	2.0
587.17242	0.3
595.18274	7.8
596.18524	1.4
600.19043	0.2
601.18030	0.3
627.20898	100.0
628.21228	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	629.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72419	0.4
55.72170	0.4
59.01374	12.3
68.29681	0.4
70.69117	1.2
71.01376	8.8
73.02946	0.8
85.02949	1.8
89.02439	8.6
90.01157	0.5
93.03458	1.1
95.01387	0.6
99.00894	0.4
101.02428	5.1
101.03014	0.5
107.05007	2.1
108.05376	0.5
113.02419	3.4
119.03485	3.1
119.69532	0.4
121.02997	0.4
122.03709	0.5
122.87572	0.4
123.04517	57.4
124.04826	1.9
135.04518	12.3
136.04846	0.6
137.02426	2.2
151.04022	2.3
152.04372	0.5
153.05565	100.0
154.05878	2.9
161.04544	1.2
313.09329	1.4
315.10837	70.1
316.11197	4.0
481.87405	0.4
485.80884	0.4
539.74146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2092
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
54.83667	0.6
57.83709	0.6
73.02940	0.9
80.97932	0.6
87.88548	0.6
96.95996	0.7
160.97661	0.8
195.64009	0.6
201.64479	0.6
277.21716	0.9
384.52115	0.6
438.13303	0.8
450.13644	0.7
451.14069	1.2
452.14853	3.8
466.16580	1.3
479.17291	1.1
481.14963	7.0
482.14990	1.5
493.14975	1.2
495.16727	14.9
496.17212	1.2
507.16470	1.1
508.16968	1.9
509.18057	1.5
512.13391	1.4
523.17200	0.8
535.16266	1.7
536.16852	2.1
540.16858	3.3
551.19373	32.2
552.19598	5.2
553.17371	0.8
554.17560	0.8
555.18909	0.7
572.15485	4.8
586.16956	1.8
595.18292	5.7
596.18909	0.8
627.20929	100.0
628.21259	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	627.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83092	0.4
59.01350	0.5
61.98848	0.5
63.86852	0.4
70.43577	0.4
70.69498	0.4
71.01357	0.5
71.54888	0.8
74.64981	0.4
77.32056	0.4
81.03429	0.5
108.02168	50.8
109.02968	10.3
121.02912	0.5
123.04455	0.5
128.89127	0.4
133.02983	0.6
149.04555	1.2
151.03983	1.2
152.01141	44.9
153.01930	22.9
156.02516	0.5
163.04018	1.0
165.01904	0.7
181.82651	0.5
285.06134	100.0
286.06473	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	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03448	1.0
58.00598	0.6
59.01377	16.4
61.60346	0.3
61.98828	3.6
69.03430	0.8
69.57102	0.6
69.57502	1.9
71.01383	10.8
71.01779	0.6
71.04574	0.3
71.04963	0.3
72.99313	1.0
73.02946	2.2
75.00885	0.4
83.01377	1.8
85.02947	3.2
87.00867	2.0
89.02441	10.8
95.01374	0.7
96.96001	0.3
97.02946	2.0
99.00871	0.7
101.02444	9.0
111.08147	0.8
112.61692	0.3
113.02444	4.0
119.03503	2.2
125.02435	2.1
131.03455	0.5
143.03503	1.2
150.03171	0.5
161.04590	1.3
165.05519	0.3
165.12831	8.9
166.13129	0.4
179.05627	1.0
183.13889	67.8
184.14223	2.2
209.11842	0.8
221.06601	0.9
227.12868	9.1
235.08215	1.3
253.09181	0.4
397.13492	4.3
415.14709	2.5
445.20578	0.4
521.33069	1.0
607.25800	0.9
625.27087	100.0
626.27429	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	625.2662
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
59.01381	1.3
61.25548	0.9
68.63368	1.3
71.01380	1.8
134.06133	1.2
135.15778	1.2
143.24614	1.0
213.10272	8.6
239.11835	1.3
314.09244	1.6
328.10910	2.5
349.72629	1.2
363.28769	1.2
406.26770	2.0
407.26962	1.3
433.12958	3.9
434.13501	1.8
447.14526	4.8
448.15302	12.3
449.16199	4.2
463.17633	18.6
464.17795	1.2
477.19000	3.3
478.19992	2.1
479.20779	15.2
490.16019	1.8
491.17194	24.2
492.17654	2.6
505.18619	4.0
506.19583	5.9
507.20224	3.7
520.21039	1.7
523.19666	3.2
538.22089	25.5
539.22638	8.7
593.24011	6.6
625.26501	100.0
625.35010	7.6
626.26794	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15824	0.3
54.03276	0.3
55.01891	0.8
55.70807	0.4
57.03440	0.8
58.00586	1.0
59.01377	19.2
68.99818	0.5
69.03445	0.9
71.01379	13.2
71.57271	0.4
72.99316	1.0
73.02944	2.1
73.15383	0.3
81.03454	0.5
83.01389	1.5
85.02937	3.3
87.00876	2.4
89.02443	11.8
95.01389	1.1
97.02949	2.1
97.06554	0.4
99.00871	1.2
101.02440	9.8
105.63599	0.3
109.02991	0.3
111.08162	0.5
113.02448	5.0
116.78791	0.3
119.03506	2.8
123.04465	0.3
125.02433	2.5
127.03972	0.3
141.01941	0.4
143.03470	1.1
161.04570	1.5
165.12830	8.3
179.05623	0.9
183.13887	62.2
184.14221	2.5
209.11801	0.9
221.06619	1.2
221.14076	0.4
227.12868	6.6
235.08224	1.2
255.02881	0.3
263.07806	0.5
271.02496	0.6
300.02707	1.3
397.13510	5.0
415.14456	3.1
521.33386	0.4
548.58527	0.3
607.25958	0.9
625.27075	100.0
626.27380	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98823	1.1
62.14612	0.4
63.89172	0.5
66.94022	0.4
67.45733	0.5
71.01379	2.2
73.02934	0.9
75.00881	0.6
81.47213	0.5
85.02953	1.1
88.98826	0.7
90.68216	0.5
93.03454	47.0
94.03774	1.4
96.96000	1.5
101.02436	1.4
113.02421	0.9
119.05019	9.2
122.02272	0.5
125.02484	0.7
137.02437	100.0
137.25969	0.5
138.02757	3.0
149.02451	0.5
161.04568	0.4
163.04007	10.0
163.05266	0.9
235.02484	0.5
270.05258	0.6
287.05554	0.6
299.07660	17.4
300.08023	1.3
325.09348	1.3
429.21475	0.5
463.13455	1.2
505.10022	0.6
625.14600	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	625.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52959	0.8
59.01380	0.9
61.65928	0.9
61.98834	1.7
70.73270	0.7
71.01379	2.8
71.58290	1.0
71.69471	0.7
85.02943	0.9
93.03454	43.9
96.96024	2.4
99.00883	0.9
101.02461	1.0
109.02930	0.9
113.02396	1.4
119.05001	9.9
125.02419	1.9
137.02438	100.0
138.02769	2.9
145.51697	0.9
161.04524	0.9
163.03999	9.4
166.82877	0.8
227.70226	0.9
235.02116	0.9
299.07651	16.8
325.09338	1.7
625.13824	4.5
629.38782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.4
59.01382	1.5
63.02406	1.1
65.00317	11.5
65.00635	0.9
69.34766	3.8
69.38474	0.5
71.01380	2.3
72.43099	0.6
72.99301	0.9
75.00872	2.0
83.01380	5.8
85.02956	2.4
87.00871	0.6
89.02457	0.6
89.26987	0.6
96.96017	0.8
98.19933	1.1
99.00832	0.8
101.02426	0.8
107.01388	18.6
109.02969	1.8
113.02431	2.5
117.79883	0.6
125.02432	17.1
133.02959	1.2
134.03734	0.9
135.04520	63.9
136.04845	1.8
137.02374	0.8
142.67586	0.5
151.00363	100.0
152.00723	2.4
153.01888	0.8
161.02428	2.5
165.01935	2.2
166.42534	0.6
167.03505	0.9
169.01382	0.7
175.02533	1.1
177.01920	0.7
181.05020	0.7
185.39120	0.5
188.12361	0.5
193.01418	0.7
193.03470	0.6
195.02669	0.5
203.03523	0.7
242.54111	0.5
282.87064	0.7
287.05585	42.6
288.05936	2.2
301.07040	2.0
313.06573	0.8
337.07748	3.6
353.06308	0.8
373.06357	0.7
429.87177	0.6
436.68826	0.5
463.11462	2.3
491.58258	0.7
505.09824	0.9
530.57819	0.6
601.10114	0.7
607.12616	0.8
625.14075	53.9
626.14221	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	624.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16651	0.9
61.98825	100.0
70.20808	2.4
84.65318	0.8
98.19975	1.2
128.85413	1.0
133.43555	1.0
167.74840	0.9
376.88550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1404
Annotation	Herbacetin 8-gentiobioside
Peak:m/z	Relative Intensity
57.03455	2.1
57.15174	0.4
59.01358	0.8
60.26436	0.5
63.02400	1.5
65.00320	12.4
71.01373	2.2
75.00872	1.7
83.01381	6.1
85.02957	1.5
85.67023	0.4
93.03445	0.6
95.01403	0.7
99.00903	0.8
107.01379	19.7
108.51019	0.5
109.02911	0.6
113.02419	2.5
125.02445	16.8
133.02908	0.8
135.04515	59.7
136.04843	1.5
148.01692	0.6
151.00360	100.0
152.00729	2.4
158.13664	0.5
161.02455	2.8
165.01869	1.2
169.01305	0.9
175.02539	0.5
177.01855	0.8
178.99895	0.9
186.70665	0.5
203.03452	0.5
216.46982	0.5
243.02934	2.4
255.00520	0.7
255.02959	5.9
271.02444	12.1
272.03156	1.0
282.79465	0.5
287.05591	41.4
288.05945	1.8
299.01987	0.7
300.02710	23.7
301.03317	4.6
337.07788	3.2
463.09338	2.0
607.12762	1.0
625.14020	69.4
626.14355	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	623.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03438	2.9
59.01376	47.5
60.01714	0.8
61.98829	6.2
65.60146	0.4
71.01379	15.2
71.56104	0.5
72.99298	1.5
73.02944	6.2
75.00877	2.5
81.03426	0.5
82.60760	0.4
83.01389	4.4
85.02942	9.2
86.00090	1.2
86.53680	0.5
87.00853	1.9
88.98804	0.5
89.02445	1.9
93.03447	0.7
95.01387	1.6
96.96002	1.8
97.02928	0.6
97.06570	0.7
99.00887	3.2
101.01797	0.6
101.02439	12.9
103.10312	0.4
111.00858	1.5
113.02444	6.4
119.03506	0.6
123.04513	0.5
123.79899	0.4
125.02462	2.0
131.03523	0.5
137.02417	0.9
138.01418	0.4
141.01772	0.7
143.03459	0.8
159.02977	0.8
161.04543	2.6
175.04010	0.8
179.66245	0.4
211.17085	0.6
213.18590	1.2
285.03925	1.0
329.26932	3.3
357.26318	0.6
375.27496	6.8
449.27466	0.7
491.32538	1.4
503.32263	6.6
504.32312	0.7
519.31506	2.7
521.33051	1.5
537.32727	7.9
538.33368	0.9
563.34222	0.8
576.76038	0.5
579.33801	100.0
580.34070	12.3
592.80035	2.2
593.30640	0.9
601.80560	8.8
602.30695	3.6
602.80847	1.1
622.80847	1.3
623.33740	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	623.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
59.01376	2.3
70.91628	0.5
71.01375	0.5
72.99300	0.2
73.02937	0.4
74.06164	0.3
75.00864	0.3
85.02910	0.3
86.51502	0.3
93.03457	0.3
96.96018	0.3
99.04530	0.7
101.02420	0.9
109.02934	0.6
109.27106	0.2
111.04471	0.2
113.02442	0.3
117.03478	0.3
119.05012	0.4
124.01679	0.3
130.04234	0.3
131.25748	0.2
133.02942	1.5
135.04485	0.7
136.01648	0.5
136.34937	0.3
137.01614	0.3
137.02460	3.1
137.66277	0.2
138.03212	0.3
139.00317	0.4
139.03999	0.3
145.02962	2.2
146.03723	1.4
147.04489	1.9
149.02431	0.3
150.03212	0.9
151.02870	0.4
151.03993	4.5
152.04761	1.0
153.01930	0.4
153.05586	0.3
158.03706	0.5
160.01591	0.3
160.05321	0.4
161.02437	2.8
161.06085	0.9
162.03210	0.7
163.04008	4.8
164.04834	1.3
165.01917	0.9
165.05505	0.5
166.02689	0.8
166.06296	0.8
167.03493	0.7
168.04286	0.3
173.02417	1.0
173.06075	0.4
174.03186	2.6
175.03989	14.7
176.04753	3.8
177.05605	2.0
179.03481	1.1
179.07147	2.7
180.04283	6.6
181.05057	1.2
184.03719	0.5
188.04781	3.0
189.05556	5.4
190.06345	18.7
191.03444	0.5
191.07111	12.8
192.04271	0.8
192.07420	0.5
193.05046	7.5
194.05836	5.8
195.06456	0.3
198.05197	0.3
203.07129	2.2
204.07787	0.2
205.08676	16.5
206.05829	0.4
206.08980	1.0
207.06606	6.2
208.07376	12.2
209.07808	0.7
222.08943	2.3
223.06120	0.5
223.09734	1.0
267.07642	0.3
284.06671	0.3
297.07816	0.3
298.04871	0.5
299.10339	0.3
312.06314	0.3
329.13840	0.9
353.06516	0.9
359.11441	0.9
366.03445	0.3
374.13773	2.4
383.07715	0.6
389.16028	100.0
390.16345	8.5
391.23447	0.2
419.17041	3.4
427.16101	0.5
473.10919	1.6
503.11740	0.6
504.12881	0.3
519.11584	0.5
519.31702	0.8
563.21417	0.3
573.20636	0.3
605.15155	1.3
605.24213	0.4
623.19690	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	623.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89582	2.4
57.03438	5.5
58.33079	2.2
59.01378	42.3
61.98817	5.0
71.01382	23.1
71.55705	3.8
72.73952	2.6
73.02927	6.4
75.00867	5.7
80.08887	2.3
84.02184	2.6
85.02946	7.8
87.00859	3.5
88.98827	5.7
89.02449	5.4
93.03447	2.7
93.45186	2.5
96.96017	12.5
98.95571	3.1
99.00864	2.9
101.02435	12.7
113.02447	12.8
119.03491	3.0
121.02975	5.7
122.03725	3.8
129.01932	2.7
133.02948	4.1
134.03702	2.9
135.04460	2.7
137.02405	7.6
147.04556	4.4
149.02414	8.5
150.03226	23.0
150.05597	3.6
151.03996	8.4
152.01108	3.1
159.04524	10.2
160.01711	5.2
160.05302	19.1
161.02440	5.0
161.04608	2.6
161.06023	5.9
163.03990	9.9
164.04793	11.1
165.05519	16.2
173.06029	3.2
175.02711	2.4
175.04018	17.6
175.07648	23.2
176.04630	3.2
177.05524	8.1
178.06285	4.7
180.04213	6.0
190.06349	16.9
191.07101	10.6
193.01402	3.5
193.05074	5.3
193.08611	3.0
194.05841	4.8
195.06509	11.4
205.08675	11.9
207.06497	3.7
208.03781	6.6
208.07364	7.7
223.06075	17.1
245.17545	5.6
257.08347	2.6
265.07080	5.0
267.07742	7.1
271.07211	4.9
285.04041	11.0
295.10724	3.0
298.04642	6.3
309.08804	2.8
311.05756	4.2
312.06354	7.7
321.08646	3.9
327.05148	3.4
327.13385	3.8
329.13943	100.0
330.14606	5.1
341.06744	5.0
341.11185	4.4
342.25287	2.7
351.05371	2.9
359.15128	12.4
371.12277	10.2
374.12830	3.5
375.26941	3.0
383.07596	6.4
385.10236	4.7
389.16068	70.8
399.07126	5.9
419.13083	5.4
427.15784	6.4
473.10635	6.1
473.17599	2.9
501.09769	3.9
503.12012	4.5
519.11426	13.8
519.31702	52.4
537.32758	10.3
579.33636	4.9
587.14459	2.7
605.15125	21.0
605.23260	3.7
623.21674	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	623.1609
Annotation	Isoscoparin 4'-O-glucoside
Peak:m/z	Relative Intensity
50.43772	0.4
59.01368	1.3
71.01374	1.9
71.14790	0.7
72.99279	0.8
73.02937	0.5
75.00864	1.0
78.60441	0.4
85.02937	1.1
87.00864	0.9
89.02460	0.6
95.01398	0.4
96.96005	0.9
103.00364	0.5
107.81556	0.4
108.07715	0.4
109.02982	0.4
113.02436	1.7
118.91427	0.4
119.05042	0.9
132.02177	0.7
133.02910	2.2
134.03734	1.6
135.04613	0.9
147.04494	1.3
149.02475	0.9
151.00333	0.9
161.02396	0.5
163.03932	1.0
175.04015	0.9
177.01860	2.0
189.01872	0.6
191.03439	1.7
193.03444	0.5
193.05063	0.7
203.03500	0.9
221.04633	0.8
239.07195	0.7
267.06567	0.6
269.04456	0.8
271.06049	0.8
283.06052	1.7
284.03171	1.1
284.06665	0.8
285.04010	6.3
297.03961	1.0
297.11349	0.7
298.04846	3.2
299.05502	2.4
310.04883	0.6
311.05566	14.7
312.06363	44.0
313.06781	3.1
322.04767	1.0
323.05640	3.0
324.06354	1.4
325.07043	1.1
326.03973	0.6
326.07764	0.8
327.05066	0.9
327.08688	0.5
338.04376	1.0
339.05084	4.2
340.05597	0.7
341.06491	2.7
344.05353	1.4
351.05533	4.4
352.05905	1.0
353.06531	2.2
355.04587	0.5
355.08347	3.6
358.06879	0.7
365.06516	0.8
367.08249	0.8
368.05328	1.2
369.06143	1.5
375.14069	0.5
383.07687	35.3
384.08017	2.6
395.07635	3.0
413.08765	20.1
413.14319	1.0
414.09140	1.7
425.08582	3.1
427.10196	0.7
443.09772	1.9
447.09079	0.7
455.09863	0.7
461.07175	0.9
503.11917	13.1
504.12314	1.3
524.24237	0.5
533.13330	2.1
605.15515	0.7
623.16107	100.0
624.16510	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	623.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
57.03461	0.5
59.01372	2.5
61.39308	0.2
63.02421	1.1
65.00351	1.1
71.01379	5.2
72.01765	0.3
72.99306	2.7
73.02971	0.9
75.00875	2.9
83.01373	1.2
85.02944	4.7
87.00903	1.1
89.02476	1.1
91.01923	1.1
95.01420	1.1
98.20679	0.5
99.00876	2.2
101.02467	0.7
103.00409	0.9
105.03474	0.5
107.01389	2.2
109.02985	1.0
111.40957	0.3
111.41850	0.3
113.02446	6.2
114.02814	0.6
115.00414	0.6
117.01979	0.4
119.05019	1.4
121.02975	1.0
125.02474	0.5
128.03566	0.5
129.01985	0.3
131.03465	0.4
133.02965	5.8
133.86206	0.3
134.03740	2.3
135.00885	2.2
135.04561	0.4
143.05028	0.4
146.73204	0.3
148.01669	1.0
149.02443	2.1
149.06100	1.2
151.00368	6.2
153.01953	0.9
159.04585	0.3
171.04500	0.4
175.02467	1.3
175.04024	2.3
177.01944	0.6
179.03575	0.4
185.06155	1.0
187.04057	0.4
190.36337	0.3
193.03520	2.3
195.04265	0.3
197.06041	0.6
198.03259	0.4
199.04005	2.4
201.01953	0.8
209.04359	0.3
213.05641	0.6
215.03560	0.5
217.05064	1.2
240.04152	0.3
241.05017	1.0
243.02975	0.7
245.48050	0.3
256.03751	0.3
257.04678	0.5
269.04608	0.7
270.05231	1.2
271.06143	1.9
284.03241	2.8
285.04059	100.0
285.07544	8.9
286.04410	5.2
286.07703	0.5
289.05753	0.4
297.04028	0.4
309.04117	0.4
320.09308	0.5
321.09244	0.3
327.05069	0.7
337.07703	1.0
339.05011	0.3
351.05655	13.1
352.06033	1.7
353.06140	1.9
357.06152	0.8
379.03610	0.3
383.07077	0.4
447.09238	1.4
461.07208	0.6
489.10379	0.8
591.52338	0.3
605.11011	0.6
623.12469	42.0
624.12836	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	622.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17723	0.5
59.01364	1.5
60.16215	0.5
61.32819	0.5
69.31149	2.4
69.31574	1.6
71.01369	1.7
72.99315	1.1
75.00868	7.2
83.51562	0.5
87.00860	1.0
88.98808	0.5
89.02419	0.9
93.03437	1.2
96.96027	2.7
108.02160	0.6
109.02956	4.0
112.56203	0.5
113.02454	0.8
115.00369	9.1
119.04974	0.9
121.02937	1.4
123.04507	1.0
132.22220	0.5
133.02919	3.2
135.03008	7.4
135.04549	2.6
137.02454	1.0
147.03343	1.1
147.04507	2.3
149.02417	1.9
151.00345	0.8
160.04082	0.6
161.02434	34.1
162.05594	69.7
163.03992	1.2
163.05937	2.1
164.77440	0.5
173.02541	0.6
174.05635	0.4
175.02484	1.1
175.03860	1.0
175.06326	0.8
176.07155	8.5
177.01895	0.9
179.03510	1.0
188.07141	2.1
189.01927	2.9
189.05550	0.8
191.03487	1.7
201.01971	1.3
204.06599	1.1
207.02969	2.2
207.42529	0.6
214.05035	1.0
215.05867	5.8
216.06630	2.8
218.04689	0.6
219.02988	3.1
232.06137	0.8
244.06050	1.3
248.05699	0.5
260.05643	3.3
269.08200	0.7
272.05634	7.0
273.06296	1.1
281.06943	0.6
282.07712	0.7
284.09262	16.9
285.04004	2.2
285.09647	0.7
296.09219	1.0
297.09790	0.8
298.09900	0.9
312.08957	0.6
324.08801	1.7
326.16776	0.5
336.08762	1.6
340.04169	0.9
340.08240	13.5
341.08563	0.8
342.09747	5.3
351.05579	2.5
354.09933	0.8
364.08237	2.3
370.09216	2.4
382.09268	13.3
383.09259	1.4
400.10330	100.0
401.10498	7.2
401.14700	0.9
412.10516	1.0
413.09030	0.5
422.15186	0.9
424.10281	5.0
425.10825	0.6
460.12436	19.7
461.12860	1.5
502.13599	0.9
562.15613	7.4
563.16083	0.8
577.28259	0.6
622.17804	2.0
623.15851	1.5
643.82202	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
57.85682	0.2
58.00601	0.2
58.36164	0.2
59.01113	0.3
59.01377	3.1
70.74613	0.2
70.95361	0.4
71.01373	1.5
73.02928	0.9
75.00880	0.4
83.01410	0.4
83.05028	0.5
85.02962	0.5
87.04508	0.5
89.02489	0.4
93.07107	1.7
96.96021	0.3
97.06575	2.6
101.02428	1.0
113.02410	0.7
123.08172	0.5
125.02406	0.3
133.10162	0.2
135.02989	0.2
181.12323	0.3
183.13884	3.7
185.11816	7.8
185.15373	0.3
197.15385	0.2
199.13362	0.8
213.15001	1.4
225.14970	4.2
227.16501	2.0
230.74019	0.2
239.16435	0.7
255.15956	0.6
257.17578	7.8
258.17792	0.3
271.18970	0.6
313.23737	0.5
325.23740	0.6
343.24829	4.2
352.05081	0.3
355.24854	4.5
356.25314	0.4
373.25903	100.0
374.26270	6.8
415.27051	1.5
457.27911	0.4
577.31995	0.5
621.31219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01380	4.8
66.80268	0.3
69.57558	2.0
71.01389	2.4
71.05019	0.5
72.99308	0.3
73.02936	1.0
75.00892	0.2
80.71412	0.3
83.01351	0.5
83.05025	0.4
85.02943	0.7
89.02439	0.7
90.02868	0.3
93.07085	2.9
96.96002	2.1
97.06539	0.4
99.00838	0.3
101.02405	1.5
113.02475	0.7
123.08215	0.3
125.02397	0.3
125.09715	0.6
127.11305	0.6
159.35533	0.3
161.04515	0.4
171.10243	1.0
183.13873	1.8
201.14969	0.7
201.18990	0.3
225.14915	0.5
243.15984	10.3
244.16382	0.5
254.03497	0.3
255.07715	0.8
257.17493	0.8
281.09222	0.3
283.07114	0.8
295.07028	0.7
309.08859	0.6
313.23840	0.4
315.09976	0.5
325.23856	0.7
337.08289	1.5
337.23596	0.4
343.24850	6.1
344.25079	0.5
355.24875	5.9
356.25348	0.5
364.96878	0.3
371.24646	0.4
373.25919	100.0
374.26257	6.7
387.27216	0.4
415.27066	1.2
417.15350	0.6
422.45001	0.3
561.29150	0.5
577.32190	0.6
579.29272	0.4
589.20233	5.2
590.20648	0.7
621.23706	1.5
621.32410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46466	1.5
57.03444	3.3
59.01375	88.4
61.98822	6.6
66.09768	1.6
68.98158	1.3
71.01379	20.9
71.11131	3.0
72.99303	4.3
73.02926	8.1
73.37861	1.5
75.00861	4.5
82.00038	1.5
83.01400	5.6
83.05006	1.3
85.02943	9.5
87.00864	2.0
88.70042	1.5
89.02442	6.5
91.49483	1.4
94.46678	1.4
95.01385	2.2
96.95992	8.1
99.00860	2.6
101.02442	14.4
113.02434	10.9
119.03510	1.9
125.02421	3.3
129.01866	1.7
131.03549	1.6
134.03761	1.5
135.04491	1.7
137.02382	2.5
143.03496	2.4
159.02983	1.4
161.04642	2.1
175.03992	1.5
220.53185	1.4
253.05104	2.8
257.29871	1.3
269.04538	1.6
327.08621	1.4
351.05777	3.4
373.25919	11.9
439.26944	3.3
457.28336	1.7
517.30402	2.2
547.25757	2.3
561.36517	1.9
577.32251	100.0
578.32367	9.5
621.34045	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	621.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03384	3.0
58.00542	1.0
59.01319	19.5
59.01644	1.4
60.01692	0.8
61.98777	1.6
61.99075	0.6
63.62757	0.4
65.80402	0.6
69.67513	3.3
71.01378	11.5
72.34897	0.5
72.99249	1.5
73.02938	5.7
75.00821	0.9
75.26927	0.6
83.01331	1.8
85.02953	5.2
87.00821	1.9
87.04451	1.1
89.02448	4.4
93.07018	2.5
93.07516	0.5
95.01348	0.8
95.04947	0.6
96.96009	13.8
99.00884	1.2
101.02437	6.8
105.05518	1.0
108.02094	2.0
113.02443	7.3
113.09705	1.2
119.03414	1.3
119.04879	0.6
123.04441	2.1
125.02377	1.2
133.06543	1.1
136.01575	1.6
137.02257	0.8
139.07564	0.6
143.03421	1.0
143.04956	0.7
145.02904	1.0
146.03658	2.0
147.04488	3.0
148.05226	1.3
149.04486	0.8
149.06087	0.5
151.03969	2.6
157.26996	0.5
158.03563	0.7
159.04413	1.8
161.02328	1.1
161.04472	2.0
161.05951	1.0
173.02411	3.3
174.03207	13.3
175.02293	0.7
175.03793	1.1
186.03154	0.9
187.03894	0.9
188.04640	1.6
189.05507	1.3
191.03444	0.9
201.01897	1.1
202.02664	3.0
205.04854	0.7
206.02148	1.1
212.07202	1.0
214.02580	1.6
215.03491	3.5
216.04091	0.7
217.04997	3.3
220.03639	1.3
221.06081	1.1
222.06711	0.7
223.07674	0.9
229.05006	1.9
237.05415	2.4
240.05229	0.9
241.06073	1.2
243.16003	8.2
248.04799	0.8
249.05690	3.7
250.06442	1.4
251.07040	2.2
253.04814	0.8
255.07620	2.1
257.17542	0.9
260.04663	0.7
261.05585	1.4
262.06161	1.7
263.07056	1.8
264.07797	1.7
265.04974	4.0
265.07687	0.7
265.08597	0.6
266.05591	0.8
267.06754	5.5
269.04361	1.0
277.05112	4.3
278.05783	1.6
279.06534	6.0
279.10217	2.5
280.07224	0.8
281.08450	0.9
282.08948	1.7
283.07089	2.2
285.04041	0.8
289.04892	1.9
290.05820	0.7
292.07294	1.4
293.04468	3.1
293.08301	1.1
294.05725	1.3
294.08926	8.3
295.06870	2.3
297.11377	0.8
298.04776	0.8
303.06482	0.7
304.07468	1.5
305.04535	5.4
305.07742	0.9
307.06082	0.9
308.06827	6.4
309.08551	3.9
310.08484	1.1
313.23712	0.8
315.09735	2.7
320.06897	6.0
321.07449	1.0
322.08420	0.6
323.05597	1.6
323.09180	12.1
324.09366	1.0
326.08026	0.8
327.09525	0.7
335.09137	3.5
337.08163	3.2
338.08023	4.3
339.08450	0.9
341.10324	1.8
343.24802	7.2
344.25330	0.7
351.05591	0.8
353.10278	42.5
354.10754	3.7
355.10678	0.8
355.24844	8.9
356.25116	0.9
357.13437	4.1
369.10770	2.0
373.25919	100.0
374.26181	6.5
395.11374	1.1
415.27020	1.7
417.24994	0.8
446.08780	1.7
447.09207	1.5
485.16852	1.3
517.26007	6.1
535.27582	2.7
561.29211	2.3
571.19025	0.7
573.16370	2.2
576.19379	0.7
577.20319	0.7
577.31714	1.1
579.30359	3.4
588.18976	1.7
589.20508	1.8
591.20831	25.8
592.21008	2.8
603.20862	55.2
604.21216	9.2
621.22791	32.0
622.23022	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	621.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71199	1.2
55.01874	1.3
57.03443	3.4
57.86125	1.1
59.01377	36.4
61.98830	5.4
71.01380	18.0
72.99311	2.5
73.02956	6.8
73.09405	0.9
75.00871	1.9
83.01381	2.5
85.02936	6.5
87.00872	2.7
89.02450	8.9
93.03421	1.4
93.07104	1.8
93.17474	1.1
95.01437	1.4
96.95997	13.6
97.06579	1.1
97.31316	1.0
97.89276	1.1
99.00887	2.1
100.25273	0.9
101.02444	13.8
105.05566	1.5
108.02164	4.5
113.02442	10.6
116.05067	1.5
117.03500	1.5
118.30458	1.2
119.05019	1.7
121.02982	2.0
123.04514	4.8
125.02461	1.9
133.06593	2.6
134.03738	1.6
135.04585	1.4
136.01662	7.8
143.03568	1.4
143.05009	1.2
145.02940	2.7
146.03677	2.2
147.04510	3.1
148.05237	3.0
151.03987	13.7
155.16515	1.0
159.04535	3.3
160.01665	1.3
160.05270	1.3
161.02391	1.1
161.04562	2.5
161.06018	1.3
162.03265	1.4
164.04753	1.7
173.02388	7.8
174.03207	20.7
175.03879	2.5
187.04039	1.2
188.04802	2.5
189.05464	2.6
191.03453	1.8
193.04996	2.6
193.06566	1.6
201.01965	1.2
202.02701	6.0
205.05060	1.7
206.02190	3.5
207.08203	1.5
209.06065	1.9
214.02721	2.7
215.03452	5.3
217.05013	6.7
220.03702	3.2
221.06107	1.9
229.05066	3.6
232.05269	1.3
233.06064	2.8
235.07672	1.2
237.05605	3.6
243.15936	6.8
245.78986	1.0
249.05597	5.2
250.06172	2.2
251.07118	4.7
253.04942	1.2
261.05542	2.5
262.06381	2.7
263.03253	1.5
263.07153	4.5
264.07822	3.4
265.04977	6.3
265.07983	1.7
266.05771	2.3
267.06659	7.4
269.04553	2.1
277.05038	5.7
278.05756	1.4
279.06644	9.6
279.10190	3.7
280.07349	2.0
281.08163	2.1
282.08905	4.0
285.03879	1.9
289.04868	2.1
290.05847	1.8
291.06821	1.2
292.07361	1.6
293.04507	7.3
293.07791	2.2
294.05676	1.9
294.08966	14.5
295.06213	2.3
297.04288	1.5
297.11249	1.3
298.04749	6.3
303.06570	2.4
304.07306	1.4
305.04523	7.1
307.06161	1.5
308.06873	13.2
309.04080	1.1
309.07587	6.4
309.10834	1.1
311.05667	1.3
320.06818	8.8
321.07535	1.4
323.05582	3.5
323.09171	25.6
324.05875	1.7
324.09634	2.2
325.07074	1.3
326.07687	1.8
327.05103	3.3
329.14011	2.4
335.09277	6.8
338.07932	4.7
339.08493	1.9
339.12326	3.4
341.10275	4.0
342.10962	1.5
343.24823	6.1
351.05576	2.5
353.10266	64.7
354.06726	1.3
354.10638	4.2
355.24905	7.8
357.13446	18.8
358.13834	2.6
373.25916	77.4
374.26263	3.3
387.31345	1.3
417.15097	1.8
417.25436	1.1
446.08551	8.1
447.09229	8.0
485.16681	2.8
501.17905	2.2
517.25537	2.4
535.31519	1.8
561.28790	5.7
572.19293	1.5
573.16058	3.3
577.32343	9.5
579.30054	4.9
588.18396	3.8
589.20209	2.4
591.20776	54.7
592.21051	7.2
603.20776	100.0
604.20966	10.1
621.22473	22.8
621.32135	2.5
622.22107	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
57.29407	0.4
59.01377	100.0
60.01733	0.6
61.98827	1.7
69.34265	1.4
69.34692	2.3
71.01375	4.5
73.02952	1.6
75.00867	0.8
83.01378	0.9
85.02932	2.0
87.00861	0.7
87.48584	0.4
88.98821	0.4
89.02447	1.9
93.03431	0.4
95.01373	0.6
96.96013	2.8
97.06644	0.6
98.95633	0.5
99.00880	1.3
99.04574	0.8
101.02431	3.1
113.02447	2.9
116.92817	0.6
119.03519	0.7
124.05789	0.4
125.02406	0.6
128.03555	1.1
128.12547	0.4
130.98103	0.4
131.03525	0.5
137.02411	1.2
142.70013	0.4
145.02943	0.8
147.04434	0.5
160.05223	0.6
161.04567	1.0
175.07541	0.4
202.02458	0.6
219.08150	0.5
221.06319	0.5
235.07657	0.7
247.07584	0.6
253.04967	0.5
253.08694	1.4
257.17487	1.0
263.07132	3.2
265.08713	0.5
268.11023	0.8
275.06998	0.6
275.23776	0.5
280.07269	0.5
281.08173	6.8
282.08658	0.8
291.06696	2.3
292.07373	1.5
293.08148	2.7
294.08929	2.2
296.10419	2.0
307.09744	1.1
308.07248	0.5
308.10385	2.3
309.07663	30.8
309.10754	1.2
310.08008	1.6
323.05573	0.4
323.09174	7.7
324.09988	21.6
325.10361	1.4
329.13788	1.6
339.12338	80.9
340.12711	7.5
351.05676	0.8
353.10117	1.5
355.25070	0.8
373.25858	10.3
374.26221	0.5
383.11609	0.8
403.14392	0.5
417.15515	0.8
517.29315	0.5
561.28925	1.3
577.32562	3.1
579.29578	0.5
591.20593	1.6
603.20746	3.7
621.21985	1.7
621.34027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44596	0.5
59.01380	4.7
71.01381	4.5
72.99319	0.9
75.00889	2.3
81.03459	0.5
85.02958	3.5
87.00886	1.2
89.02443	1.3
93.03432	0.6
95.01390	1.3
96.96017	5.2
99.00864	0.8
101.02453	1.3
103.00401	0.6
109.02959	2.2
113.02448	4.6
113.61443	0.5
115.00343	0.7
123.00891	1.8
125.02462	0.6
137.02451	8.9
139.04015	0.6
143.83939	0.6
147.04578	0.6
149.02452	1.0
150.03198	0.9
151.00366	17.8
151.03999	1.5
152.01115	1.7
152.04779	2.1
153.01950	0.7
153.05537	0.5
155.46346	0.6
163.04002	0.5
165.01927	0.6
166.02716	59.6
167.03433	3.3
175.02467	0.6
175.03993	1.4
177.01889	2.6
179.03438	0.5
181.05067	72.7
182.05371	2.7
190.06319	0.7
191.03468	0.9
192.04199	1.0
193.05048	0.9
205.05092	1.0
205.08623	0.8
207.06676	1.0
229.70795	0.6
249.06113	2.0
251.06914	0.6
267.07153	5.1
268.07629	0.5
279.10162	0.8
294.09195	0.6
305.64871	0.5
309.07608	1.0
323.09219	0.9
338.08044	1.2
341.10159	0.9
353.10199	2.4
357.13596	0.6
359.11465	1.5
374.66605	0.6
387.10806	15.1
388.11057	1.0
402.13107	6.0
403.13895	0.7
417.15506	100.0
418.15826	9.1
466.37909	0.5
485.13074	0.9
591.17377	2.4
603.17346	4.9
621.17926	7.4
622.18854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1822
Annotation	Afrormosin 7-O-laminaribioside
Peak:m/z	Relative Intensity
51.95097	1.0
55.01860	2.4
57.03419	4.5
58.00566	1.4
59.01376	45.5
61.98816	1.5
68.99799	3.5
69.76813	5.9
71.01379	40.3
72.99304	10.5
73.02937	6.3
75.00476	1.6
75.00871	27.7
79.95717	1.6
83.01363	2.5
83.05016	1.3
85.02946	36.2
85.03456	2.3
87.00871	12.2
89.02447	12.2
91.03992	1.8
91.89475	1.1
93.03415	1.3
95.00919	0.9
95.01399	8.2
96.95377	2.4
96.96006	49.6
99.00874	15.8
101.02442	6.3
103.00361	4.3
109.02940	1.5
111.00837	2.8
113.02444	45.1
115.00338	4.0
117.01907	3.7
121.02919	1.9
123.04465	2.4
129.01938	5.0
131.03418	1.5
134.03708	1.8
143.03433	1.7
145.02907	1.8
147.04451	3.3
148.05331	1.8
151.00378	1.5
151.04002	1.3
153.45578	1.0
157.01353	1.6
161.04489	2.1
165.03970	1.2
166.02649	2.6
173.02333	3.2
174.03236	5.5
175.02405	3.4
181.04945	3.0
191.07045	3.0
193.05034	1.9
202.02724	1.7
215.03497	1.3
217.05022	2.7
220.03677	1.8
221.06113	1.8
222.06755	1.1
223.07663	1.5
229.05000	1.9
229.63544	1.3
231.04959	1.9
235.05875	2.3
237.05528	1.9
239.07149	2.2
249.06082	30.1
250.06320	2.5
251.06967	4.9
253.04982	2.0
253.08180	1.0
262.06128	1.8
263.07126	6.4
264.04559	1.1
264.07672	3.9
265.04990	3.4
265.08606	1.3
267.07138	83.1
268.07260	3.5
269.04443	1.6
277.05078	1.8
277.08319	1.1
278.05917	1.9
279.06494	11.7
279.10086	5.8
280.07217	4.3
281.08127	1.4
282.09027	7.5
283.09579	1.7
293.04431	3.7
293.07932	1.3
294.05215	4.5
294.08878	7.3
295.05908	4.1
295.09213	1.7
297.11185	2.4
305.04474	1.7
308.06870	8.1
309.07495	6.6
310.08139	2.0
321.07663	2.2
322.08319	3.0
323.05435	6.6
323.09100	16.8
326.07828	1.8
335.09006	1.3
338.07996	8.9
339.08463	3.9
341.10226	9.3
342.10214	1.4
351.05450	2.2
353.05869	1.8
353.10281	36.3
354.10501	3.1
371.11179	4.4
417.15286	3.4
427.13580	2.3
445.15024	1.6
485.13290	9.0
517.26532	3.8
535.27283	1.9
571.14441	2.1
585.15674	4.3
590.94995	1.2
591.17072	39.7
592.17163	3.6
603.17133	56.1
604.17206	4.7
621.17999	100.0
622.18384	9.4
636.04535	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	621.1611
Annotation	Naringenin 7-[3-acetyl-6-p-coumaroylglucoside]
Peak:m/z	Relative Intensity
57.03438	0.3
59.01374	2.4
61.98824	0.2
69.35694	0.2
69.36095	0.9
71.01378	0.8
72.99306	0.1
73.02930	0.3
74.02017	0.1
75.00842	0.2
83.01398	0.2
85.02952	0.3
89.02441	0.4
91.01887	0.7
93.03481	0.2
96.96011	3.1
97.06575	0.1
101.02454	0.5
113.02446	0.4
117.03442	0.2
119.01408	0.6
119.05026	0.1
121.02937	0.2
132.02185	0.2
133.02956	0.7
135.00887	0.7
135.04485	0.2
147.00876	0.5
147.04480	0.1
149.02406	0.7
153.01898	0.1
153.85152	0.1
160.01553	0.2
161.02443	0.2
161.04550	0.1
164.04726	0.6
169.06667	0.2
175.00356	2.9
179.07092	0.2
180.05864	0.2
181.06523	0.1
190.02705	6.2
191.03178	0.2
195.04430	0.1
196.05266	0.3
197.06064	0.5
205.05055	5.1
206.05493	0.3
208.05342	0.6
209.06090	1.1
223.03969	0.3
223.06140	0.7
224.04742	1.6
225.05472	0.9
252.04277	0.3
253.05048	100.0
254.05386	5.2
257.17529	0.2
265.07275	0.1
293.12152	0.1
309.07730	0.2
324.10104	0.2
325.09430	0.3
339.12430	0.5
345.19073	0.2
355.24692	0.2
367.10315	5.8
368.10629	0.4
373.25830	1.8
577.32239	0.5
607.53864	0.1
621.16113	0.6
621.34827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07856	0.2
50.69354	0.2
57.03422	0.3
59.01376	0.3
69.65208	1.3
71.01379	2.2
73.02952	0.4
80.33920	0.2
83.01386	0.3
85.02960	1.4
87.46281	0.2
93.03451	44.1
94.03782	0.8
95.51164	0.2
96.96030	1.2
101.02454	0.8
103.21136	0.2
108.02215	0.2
113.02438	1.2
115.00327	0.3
127.88852	0.2
135.02953	0.3
137.02432	100.0
138.02762	2.9
144.74097	0.2
145.02916	0.3
159.00609	1.2
161.02412	0.6
161.04503	0.3
162.05615	0.6
163.04028	0.4
164.51207	0.2
177.00342	0.3
177.01750	0.3
219.02765	0.4
252.96942	0.2
253.03572	0.2
263.70331	0.3
283.06097	0.3
297.03809	1.0
299.07687	14.3
300.08075	0.9
311.05743	0.3
321.06009	2.6
321.10104	0.3
400.10236	1.4
459.09033	5.7
459.15430	0.4
460.09033	0.4
621.14215	9.2
622.14752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1092
Annotation	Apigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
50.02457	0.3
50.83028	0.4
55.01883	0.6
57.03444	3.0
58.00585	0.7
59.01376	16.2
67.01880	0.4
68.99803	0.8
69.03451	0.8
69.39925	0.8
69.40319	3.2
71.01376	26.3
72.99307	21.7
73.02942	4.2
73.91314	0.4
75.00867	11.6
83.01376	4.6
84.02165	0.6
85.02946	26.5
86.03256	0.5
87.00873	7.4
89.02434	6.5
95.01385	6.8
99.00869	10.4
100.79966	0.4
101.02431	3.9
103.00365	7.4
107.01406	0.8
111.00843	0.5
113.02442	38.5
115.00355	4.0
117.01920	2.1
117.03426	2.4
129.01971	2.4
131.03529	2.8
133.01425	1.8
139.00369	0.8
149.02402	1.2
151.00362	1.2
157.01410	1.8
163.02451	0.5
175.02455	8.4
183.49287	0.4
193.03510	23.4
225.05676	0.5
235.04559	1.6
263.03598	0.4
269.04517	27.7
270.04718	2.2
280.28726	0.5
289.05597	3.8
307.06873	0.8
311.05704	1.4
333.04495	2.1
351.05637	100.0
352.05835	3.4
461.40240	0.4
487.08777	1.4
621.10553	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
57.03433	3.0
58.00606	1.1
59.01377	100.0
67.35175	1.0
69.22047	10.1
71.01379	44.6
71.01779	2.3
72.99323	2.5
73.02940	10.2
75.00866	2.0
75.50086	1.0
76.68132	1.2
83.01388	5.6
85.02950	14.7
87.00877	3.5
87.18322	1.2
88.98801	1.7
89.02447	36.4
89.27393	1.0
93.03454	11.6
95.01390	4.7
96.96014	12.6
98.20660	2.6
99.00866	1.4
99.04494	2.2
101.02447	26.5
103.15301	1.0
109.43902	1.1
113.02445	34.3
117.03485	2.5
119.03509	17.9
123.04512	1.1
125.02438	4.8
131.03500	3.1
135.04524	3.7
137.02441	22.7
143.03490	3.7
149.04547	3.3
161.02527	1.9
161.04535	13.1
179.03426	1.7
179.03995	1.5
179.05618	17.0
187.02466	2.2
253.05032	7.4
267.07187	8.4
283.06073	1.9
295.06055	1.9
297.07593	6.3
309.07779	1.5
311.05606	2.5
323.05405	2.6
325.07123	2.9
328.05945	1.8
335.05991	2.6
337.03607	1.8
337.07193	1.6
353.06540	11.7
353.19327	1.2
365.06561	3.1
383.07782	11.6
413.08578	2.5
439.09875	1.8
457.11322	8.8
471.08160	1.4
473.10464	1.6
501.10477	13.8
515.12463	2.2
515.24860	34.5
516.25232	3.1
533.26056	18.9
534.26569	2.0
575.26984	7.3
601.15027	2.0
619.16553	21.4
620.17004	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	619.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86175	0.7
55.01877	2.0
57.03438	2.8
58.00575	2.4
59.01377	100.0
69.27769	7.9
71.01379	51.1
72.01707	1.0
72.99313	3.8
73.02947	18.1
75.00857	1.5
77.22337	0.9
78.60215	0.8
83.01381	7.2
85.02953	13.0
87.00871	3.3
89.02440	47.4
93.03440	4.8
95.01384	4.9
96.95879	0.8
99.00887	1.6
101.02438	33.9
113.02441	31.8
113.03252	1.2
119.03510	20.8
125.02445	2.0
131.03497	4.4
133.02931	1.2
137.02448	11.9
143.03467	5.8
149.02469	1.0
149.04507	6.2
155.03476	0.8
161.02429	0.9
161.04552	15.3
175.02455	0.9
179.05598	15.4
179.07121	0.6
195.06616	2.8
221.06728	1.2
253.04997	1.7
269.10373	1.3
283.06064	2.0
311.05649	2.5
311.11237	1.0
431.09970	3.9
443.09781	2.1
457.17053	1.1
515.24939	28.1
516.25104	2.6
533.25970	17.5
534.26282	2.0
575.26947	3.9
619.22864	1.9
640.70282	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2559
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
70.90266	1.2
70.90622	0.5
132.57141	0.7
145.93512	0.6
180.86761	0.5
192.74666	0.5
222.00336	0.6
264.35999	0.6
279.24301	0.5
401.14050	1.5
415.15674	3.3
416.16422	11.3
417.16824	1.5
429.17056	1.5
430.17932	2.3
431.18753	1.6
434.17203	1.0
444.15787	1.4
448.15186	0.7
457.16650	0.8
458.17181	1.0
459.18228	100.0
460.18546	11.8
473.19763	14.6
474.20474	6.0
485.16104	1.0
487.17752	1.0
489.52808	0.6
499.17728	0.9
501.19186	2.1
503.16867	2.8
504.17133	0.9
511.17941	1.0
517.18787	1.3
518.19568	46.3
519.19958	4.7
532.21106	8.0
533.21906	90.0
534.22211	11.6
543.20715	1.0
587.22925	5.3
588.22961	0.6
619.25580	87.1
620.25958	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	619.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.8
59.01378	79.6
60.01708	2.8
61.01786	2.0
61.78260	1.2
61.98814	6.1
66.83807	1.2
70.07463	1.3
71.01007	2.1
71.01382	37.1
71.58075	1.7
72.98823	1.1
72.99277	2.4
73.02940	17.0
75.00870	2.8
79.95711	2.1
81.03463	2.4
83.01382	10.5
83.04976	1.8
85.02934	11.5
87.00873	3.5
87.04499	2.8
87.68902	1.3
89.02442	17.5
95.01392	4.5
96.96013	47.3
97.02989	1.8
98.49524	1.3
98.95568	1.6
99.00860	3.4
99.04521	2.1
100.96591	1.5
101.02446	27.1
107.34374	1.3
108.02132	1.5
109.02934	1.7
111.00863	2.3
113.01711	2.0
113.02440	21.3
114.02763	1.7
117.03421	2.1
119.03505	8.2
121.02940	3.3
123.04453	2.3
125.02425	3.3
127.00371	1.8
131.03481	1.5
135.02985	1.6
135.04449	1.7
138.70868	1.3
143.03436	3.9
145.02914	2.3
145.06184	2.1
147.04462	1.8
149.02452	2.4
149.04536	2.2
161.04546	8.5
161.13351	2.9
163.03854	1.6
167.03487	1.5
169.06227	3.1
175.03929	1.6
177.02037	1.5
179.05592	1.6
183.10327	1.5
187.11296	10.9
188.11678	1.5
191.03394	1.3
192.04181	2.1
197.04454	1.4
205.12306	4.8
207.08495	3.2
207.10422	1.6
209.04367	2.1
221.06177	3.1
222.06841	2.0
223.07521	2.7
235.07816	2.5
237.05559	2.5
237.09711	2.3
239.07088	4.7
240.04309	1.7
248.04753	1.9
249.05521	3.9
249.11401	1.8
250.06267	4.2
251.07028	9.2
261.05582	3.0
262.06354	3.6
263.07077	6.6
264.07745	2.9
265.05017	3.7
265.08505	1.9
266.05994	1.9
267.06589	20.3
268.03833	12.7
268.06720	2.3
269.04532	49.2
270.04834	3.3
277.04904	2.6
277.08582	1.8
278.05896	2.8
278.09113	1.4
279.06650	17.2
279.09845	2.2
279.10373	1.8
281.08136	2.3
282.08844	10.3
283.05731	1.5
289.05014	2.1
291.06705	1.8
292.07578	2.0
293.04575	2.5
293.10114	4.3
294.05237	7.4
294.08832	7.9
295.06100	7.1
297.07941	1.9
297.11240	4.9
304.07596	1.8
305.04852	1.9
306.05051	1.5
307.06104	5.1
308.06714	3.9
309.07700	10.7
310.08371	2.0
311.05484	2.1
321.07614	4.4
322.08368	8.1
323.05759	18.0
323.09341	5.9
324.06012	1.9
324.10034	1.5
325.07056	2.1
326.07773	6.5
335.09439	3.4
337.07098	4.5
338.07895	15.8
341.10281	49.9
342.10526	5.0
353.10260	100.0
354.10394	8.4
365.06430	3.8
371.11240	13.5
371.24350	9.3
380.08820	2.2
383.11316	7.7
395.11374	17.2
396.11761	3.3
413.13248	2.0
439.19705	15.0
481.20746	3.8
487.21719	6.6
515.11981	20.1
515.24200	3.1
516.11890	2.1
517.26416	1.6
559.27374	3.3
575.17523	2.4
577.28510	2.2
618.80145	2.7
619.16040	2.0
619.26099	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	618.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06958	1.0
59.01363	0.9
61.98823	3.2
71.56161	1.1
75.14522	0.8
85.02934	0.9
90.57835	0.8
95.68342	0.7
96.95995	4.5
109.02949	5.7
115.76440	0.8
116.07057	0.7
121.02943	1.3
122.03710	6.4
123.04504	7.6
124.01674	1.6
135.04494	3.9
137.02408	1.8
147.03215	1.0
148.04004	1.2
154.02715	2.3
160.02745	1.5
160.04031	19.8
162.05595	27.2
163.05930	2.1
163.11967	0.8
174.05569	4.0
186.05574	5.2
233.37720	0.7
242.05811	1.6
257.08197	1.6
267.06430	2.8
278.08197	1.8
281.06903	3.0
293.12396	1.7
293.55014	0.8
294.07632	0.9
296.09247	100.0
297.09546	6.3
303.49142	0.9
307.66202	0.9
364.79639	0.8
418.13950	1.3
420.14490	99.0
421.14877	9.2
580.13629	0.9
582.19824	52.6
583.20166	5.7
619.13263	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	616.292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42685	0.1
58.11423	0.1
58.89757	0.1
64.21430	0.1
66.40051	0.1
67.18390	0.1
78.95495	0.1
78.95881	0.6
79.95731	2.7
96.96005	100.0
97.95926	0.2
103.85900	0.1
124.41430	0.1
135.12117	0.1
159.63673	0.1
185.12029	0.1
198.36485	0.1
325.46042	0.1
336.29904	0.1
616.28925	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	617.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17933	1.2
57.03443	1.6
59.01105	2.2
59.01377	27.2
61.98834	8.8
68.99564	4.6
69.03426	1.6
71.01381	15.2
71.56120	1.9
73.02920	4.5
75.00874	1.9
83.01366	3.6
83.01823	1.4
83.05044	1.8
85.02940	5.5
85.06621	1.4
87.00871	2.3
87.04497	3.0
89.02431	5.7
93.03459	4.1
96.96004	15.0
99.00804	1.3
99.04512	3.1
101.02428	10.4
108.10514	1.6
109.02955	3.4
111.00816	1.4
112.98551	5.4
113.02480	6.8
119.87152	1.6
121.02987	1.9
123.04491	4.8
124.01636	2.7
125.02448	2.6
135.04497	4.4
137.02461	7.7
139.03967	3.8
147.04523	2.5
148.01663	1.6
149.02431	2.1
149.04541	2.0
151.00397	1.5
151.03973	2.8
153.01912	3.8
161.02486	1.7
161.04565	2.5
163.04007	4.2
165.04099	1.7
171.10252	2.5
200.04756	4.2
201.05499	1.7
207.13806	1.9
215.07173	1.9
223.07677	2.2
225.05556	2.0
239.03207	1.5
239.07108	4.3
240.07739	1.7
241.05061	2.3
249.05513	1.7
253.05223	3.0
255.06561	3.5
265.29553	1.5
267.06525	5.3
269.04401	3.6
274.95239	1.3
276.80859	1.6
279.06424	1.7
281.04407	1.8
282.05273	3.5
283.06030	13.4
284.06879	47.1
285.07202	2.6
297.07623	4.8
298.08347	6.2
299.05966	3.1
299.09219	45.2
300.09543	2.5
311.05664	1.5
335.09189	2.0
336.10046	2.0
351.12332	6.9
353.06876	1.2
353.10403	10.3
354.11188	1.7
369.13382	100.0
369.22705	28.1
370.13672	7.4
411.14612	2.0
573.19635	15.7
574.20026	2.6
617.14935	6.7
617.27338	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	616.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00323	2.1
52.40455	0.5
61.98804	1.7
65.39949	0.5
65.99841	5.1
67.60847	0.5
68.01398	3.9
71.01360	0.7
71.56953	0.9
89.16678	0.5
96.00901	4.4
96.95996	0.7
102.27573	0.5
109.75338	0.5
117.03448	2.1
124.00396	46.3
125.00739	1.1
161.02376	0.9
177.01888	0.6
184.02470	5.3
214.05035	0.6
246.04056	0.8
269.04474	0.8
281.04550	1.1
283.06165	4.0
293.04794	0.9
294.05276	0.9
295.05936	3.4
296.06677	0.7
297.07541	1.1
307.05408	0.7
308.05661	1.8
311.05463	3.8
323.05560	5.2
328.05899	0.9
335.05402	0.6
336.08771	0.9
337.07083	0.7
341.06653	5.6
348.08426	0.7
353.06561	4.7
364.08502	1.0
365.06543	1.4
368.07574	0.7
380.07819	1.3
382.09100	1.4
392.07693	1.6
395.07428	0.7
407.06445	1.1
408.06845	1.2
410.08768	1.2
422.08679	1.9
431.09796	1.2
436.06781	4.1
438.08212	1.8
443.10205	1.2
466.07803	5.7
467.07993	0.9
468.08109	0.7
478.07806	1.0
496.08679	2.3
512.47882	0.6
526.09808	3.3
538.09705	0.6
556.11273	3.1
598.12091	1.1
616.12976	100.0
617.13245	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	615.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.5
59.69026	0.2
59.93208	0.3
71.01383	1.3
73.02936	0.5
85.02930	0.6
93.03448	43.3
94.03792	0.9
96.95998	0.5
101.02448	0.8
113.02423	0.6
123.04520	1.3
137.02434	100.0
138.02759	2.3
152.01131	0.3
153.05589	1.6
161.04550	0.6
161.37601	0.3
179.87054	0.2
229.60817	0.3
285.05960	0.3
294.25201	0.3
299.07678	19.1
300.08044	1.2
315.10800	0.6
417.14221	1.1
426.21088	0.3
467.86496	0.3
579.12756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.9
68.44732	1.0
71.01385	8.4
71.33288	1.9
72.99297	1.9
73.02947	11.6
76.49989	0.8
80.18390	1.0
83.01379	7.3
85.02939	1.4
87.00872	3.3
89.02439	2.9
96.95991	3.1
99.00895	4.6
100.01652	2.8
101.02435	10.2
111.00874	8.6
113.02451	3.2
113.99583	34.9
115.00382	16.0
128.01146	2.5
139.00395	2.4
149.04591	1.2
156.00639	47.5
157.01328	3.6
161.04582	1.4
174.01682	100.0
175.02425	7.7
287.16501	6.9
402.67950	1.1
471.22333	1.8
497.04269	1.2
509.24063	1.4
511.21713	15.5
512.22430	1.4
553.22815	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	615.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31803	0.2
53.69196	0.2
59.01375	1.0
61.98831	0.5
62.22836	0.2
65.18526	0.2
71.01366	0.4
71.56815	0.2
78.95896	0.4
79.95727	3.0
96.96004	100.0
113.02505	0.2
114.93401	0.9
118.96703	0.2
171.10255	0.4
218.98163	0.2
229.66339	0.2
239.03497	1.2
254.05801	1.5
259.01239	0.3
263.91660	0.2
269.08151	2.1
285.54678	0.2
468.78024	0.2
529.02002	0.2
529.10339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25266	0.3
69.25687	0.6
78.22917	0.1
78.95885	0.6
79.95737	2.4
96.96009	100.0
97.95951	0.2
211.57985	0.1
279.90314	0.1
449.49680	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.64273	0.1
61.98814	0.1
62.05426	0.1
69.22651	0.5
69.23077	0.5
71.01376	0.3
73.02970	0.2
78.92471	0.1
78.95899	0.3
79.95733	3.0
79.96202	0.2
96.96008	100.0
97.95947	0.2
98.19904	0.2
108.64201	0.1
113.99593	0.8
114.93421	0.1
115.00344	0.2
130.98277	0.1
152.66992	0.1
174.01788	0.2
195.06636	0.1
199.20517	0.1
269.04550	1.8
311.05585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
58.64629	0.3
67.01879	0.3
71.01354	0.4
73.07664	0.3
77.72970	0.3
78.95898	2.0
79.95734	3.4
96.54565	0.3
96.96008	100.0
96.96994	3.0
110.02743	0.3
120.11893	0.3
149.06168	0.6
193.05080	0.4
202.48717	0.3
253.12361	0.6
271.09598	0.4
277.21729	1.1
280.24698	0.3
291.03949	0.8
297.11325	5.2
313.10809	0.4
335.31537	0.3
351.06149	1.4
463.07062	0.3
555.79614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.3
78.95905	2.6
79.95737	3.1
86.92796	0.4
96.80319	0.3
96.96007	100.0
96.96890	3.9
98.02481	0.4
106.42048	0.3
118.96642	0.5
214.66719	0.3
277.21674	1.2
291.03973	0.6
333.05359	0.4
351.06024	1.6
373.92206	0.3
407.17477	0.3
433.18802	0.3
551.26038	0.3
611.37360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
58.00580	2.3
59.01379	59.8
69.37233	2.1
69.37647	3.6
70.00439	0.7
71.01378	35.9
72.99319	4.2
73.02941	1.3
83.01377	2.7
85.02953	7.2
86.66935	0.7
87.00842	1.7
89.02442	28.2
93.03448	4.9
95.01392	1.7
98.20616	1.2
99.03908	1.6
99.04517	22.3
101.02438	17.0
113.02444	10.4
119.03493	9.5
125.02454	1.2
135.04562	1.0
137.02434	10.3
143.03513	0.9
151.00354	1.9
163.14912	1.3
167.03482	1.2
176.04349	0.8
179.05644	1.9
189.12845	5.3
207.13882	34.0
208.14217	1.4
209.11781	4.4
233.11676	1.6
251.12880	53.8
252.13216	2.4
269.13968	7.3
287.05576	0.9
300.05768	0.8
310.59430	0.8
338.91916	0.8
369.05490	1.3
371.06598	1.1
387.20114	1.7
389.18103	0.8
401.08304	1.2
431.19171	80.9
432.19348	6.6
449.20230	17.0
450.20514	1.3
491.10519	1.7
491.21597	0.8
505.92786	0.9
506.10361	1.1
507.10434	2.5
551.23474	1.9
593.14099	3.8
611.16797	3.7
611.25470	100.0
612.25708	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	611.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
57.03448	7.9
59.01376	16.5
59.94178	1.5
61.98824	11.2
66.31362	1.5
67.01863	1.6
67.45731	1.4
69.03460	2.5
71.01379	16.8
73.02946	2.3
81.03454	14.5
83.01376	16.9
85.02943	5.8
89.02435	8.1
93.03452	5.7
95.01376	6.7
95.01941	1.6
95.04996	9.2
96.96008	78.4
97.02946	7.8
99.04524	11.0
101.02423	9.6
107.01358	2.8
107.05077	3.3
109.02940	6.3
111.00823	1.6
111.04530	4.0
113.02435	9.0
117.03440	4.1
118.71825	2.0
119.03481	3.3
119.05016	3.0
121.02920	6.5
121.06574	1.6
122.03719	7.4
123.04533	37.6
124.01625	3.7
125.02444	57.4
126.02760	1.8
126.20041	1.6
134.03757	4.5
135.04512	11.3
137.02437	22.8
137.06068	3.6
138.03209	3.3
139.03995	6.8
147.04480	3.9
149.02414	5.9
149.06084	6.0
151.00381	8.2
151.04004	11.1
152.04779	4.7
153.01904	4.3
153.05566	8.8
154.02670	2.3
155.03535	2.0
155.64105	1.5
161.02434	2.8
161.04596	3.3
162.05576	5.9
163.00342	5.2
163.04016	6.4
164.01120	2.3
164.07127	3.9
165.01982	8.5
165.05605	7.5
167.03491	58.2
168.03763	2.6
177.01915	5.4
177.05513	2.7
178.02664	2.0
179.03496	22.3
179.05067	2.4
179.05608	2.0
180.04199	2.9
181.04997	3.0
191.03468	4.6
193.05014	3.1
195.02986	5.1
197.04559	17.8
205.01427	3.5
205.05034	2.4
206.08235	4.4
207.03035	9.5
207.06587	1.6
208.03909	2.0
209.04538	100.0
209.11844	3.0
210.05005	3.2
219.02979	3.0
221.04451	9.3
222.30275	1.7
223.05998	2.1
225.04167	4.8
225.08009	98.8
226.08458	2.5
235.02475	2.5
237.03995	2.7
239.05592	81.1
240.05919	2.6
251.05545	7.2
269.04434	20.6
269.06711	27.9
270.04868	2.1
281.06564	5.3
285.03986	2.3
287.05164	3.2
293.06647	4.9
299.07816	10.3
300.12390	4.9
311.07648	10.3
311.10831	2.6
323.07785	3.9
327.04950	3.5
328.05432	2.8
329.09259	11.0
339.05118	1.6
341.08987	4.2
357.06122	4.3
359.09372	2.0
369.06195	2.8
370.06763	2.5
371.07690	28.6
387.06915	2.8
399.07593	2.2
401.08682	36.1
402.09372	2.2
419.11823	5.6
431.09671	19.7
431.18768	2.7
443.07626	1.6
448.17676	3.1
449.10873	5.9
449.18103	14.2
455.09845	7.8
461.10657	7.7
467.21191	4.0
473.10806	16.5
477.10309	3.4
485.10864	3.1
490.11008	3.9
491.11835	26.1
492.12518	3.5
503.11838	5.7
504.18924	2.1
521.12280	8.7
551.27063	3.6
575.13739	6.6
593.15082	6.6
611.14825	25.8
612.16010	3.0
631.37268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.7
57.03448	7.9
59.01376	16.5
59.94178	1.5
61.98824	11.2
66.31362	1.5
67.01863	1.6
67.45731	1.4
69.03460	2.5
71.01379	16.8
73.02946	2.3
81.03454	14.5
83.01376	16.9
85.02943	5.8
89.02435	8.1
93.03452	5.7
95.01376	6.7
95.01941	1.6
95.04996	9.2
96.96008	78.4
97.02946	7.8
99.04524	11.0
101.02423	9.6
107.01358	2.8
107.05077	3.3
109.02940	6.3
111.00823	1.6
111.04530	4.0
113.02435	9.0
117.03440	4.1
118.71825	2.0
119.03481	3.3
119.05016	3.0
121.02920	6.5
121.06574	1.6
122.03719	7.4
123.04533	37.6
124.01625	3.7
125.02444	57.4
126.02760	1.8
126.20041	1.6
134.03757	4.5
135.04512	11.3
137.02437	22.8
137.06068	3.6
138.03209	3.3
139.03995	6.8
147.04480	3.9
149.02414	5.9
149.06084	6.0
151.00381	8.2
151.04004	11.1
152.04779	4.7
153.01904	4.3
153.05566	8.8
154.02670	2.3
155.03535	2.0
155.64105	1.5
161.02434	2.8
161.04596	3.3
162.05576	5.9
163.00342	5.2
163.04016	6.4
164.01120	2.3
164.07127	3.9
165.01982	8.5
165.05605	7.5
167.03491	58.2
168.03763	2.6
177.01915	5.4
177.05513	2.7
178.02664	2.0
179.03496	22.3
179.05067	2.4
179.05608	2.0
180.04199	2.9
181.04997	3.0
191.03468	4.6
193.05014	3.1
195.02986	5.1
197.04559	17.8
205.01427	3.5
205.05034	2.4
206.08235	4.4
207.03035	9.5
207.06587	1.6
208.03909	2.0
209.04538	100.0
209.11844	3.0
210.05005	3.2
219.02979	3.0
221.04451	9.3
222.30275	1.7
223.05998	2.1
225.04167	4.8
225.08009	98.8
226.08458	2.5
235.02475	2.5
237.03995	2.7
239.05592	81.1
240.05919	2.6
251.05545	7.2
269.04434	20.6
269.06711	27.9
270.04868	2.1
281.06564	5.3
285.03986	2.3
287.05164	3.2
293.06647	4.9
299.07816	10.3
300.12390	4.9
311.07648	10.3
311.10831	2.6
323.07785	3.9
327.04950	3.5
328.05432	2.8
329.09259	11.0
339.05118	1.6
341.08987	4.2
357.06122	4.3
359.09372	2.0
369.06195	2.8
370.06763	2.5
371.07690	28.6
387.06915	2.8
399.07593	2.2
401.08682	36.1
402.09372	2.2
419.11823	5.6
431.09671	19.7
431.18768	2.7
443.07626	1.6
448.17676	3.1
449.10873	5.9
449.18103	14.2
455.09845	7.8
461.10657	7.7
467.21191	4.0
473.10806	16.5
477.10309	3.4
485.10864	3.1
490.11008	3.9
491.11835	26.1
492.12518	3.5
503.11838	5.7
504.18924	2.1
521.12280	8.7
551.27063	3.6
575.13739	6.6
593.15082	6.6
611.14825	25.8
612.16010	3.0
631.37268	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76832	1.2
52.91992	1.0
55.59316	1.2
57.03444	2.9
59.01378	100.0
61.98808	1.6
69.27276	10.9
71.01383	13.3
73.02927	3.6
80.96504	1.6
83.01368	4.2
85.02940	7.6
95.27822	1.1
96.95958	2.1
99.00831	1.4
101.02452	10.4
113.02460	7.8
118.96904	2.8
125.19315	1.4
158.72818	1.4
189.59567	1.2
194.02522	1.4
213.18547	1.7
231.22163	1.2
243.06610	4.4
299.25854	2.1
345.30112	6.3
431.29572	1.7
489.34314	79.7
490.34427	7.6
507.35284	30.1
508.35727	2.7
549.36322	16.1
550.36774	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	609.413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.8
59.88232	0.6
61.98817	1.0
69.88400	2.1
69.88820	0.9
87.59115	0.6
95.05020	2.4
97.06547	0.9
103.39963	0.6
109.06533	0.7
121.10224	18.7
123.08156	0.8
125.09659	1.0
127.11271	0.9
149.09773	1.5
153.09158	1.1
171.10271	50.7
172.10593	1.4
177.16472	0.9
183.13887	0.9
185.11810	2.1
191.06856	1.1
193.08412	0.9
197.11835	1.0
207.10037	2.7
211.13539	0.7
229.19685	0.8
231.21167	4.1
249.18652	0.7
275.20126	69.9
276.20453	3.3
278.11310	8.1
293.21207	69.0
294.21643	3.8
297.18237	1.8
300.03104	0.6
315.19388	41.0
316.19690	2.2
329.17267	2.2
359.18344	7.4
360.19067	0.7
369.06213	0.8
487.29318	1.1
609.14697	1.8
609.41254	100.0
610.41754	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	609.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83133	0.6
61.98840	1.0
70.39876	1.3
70.40200	0.8
72.17895	0.5
75.24669	0.5
80.32554	0.7
106.98392	0.6
154.17680	0.6
181.59035	0.7
201.05986	0.6
201.13293	0.5
215.98570	0.6
279.23267	100.0
280.23618	8.3
304.18481	0.7
384.98849	0.8
401.39682	0.7
544.58667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	3.0
71.56861	2.7
78.95898	3.3
79.95718	3.8
96.96006	100.0
112.34663	1.5
118.60603	1.7
148.04074	14.9
244.13870	1.7
297.11194	4.0
357.75928	1.9
366.22882	1.8
367.98502	2.0
377.96933	1.8
388.43832	2.1
553.54254	1.7
572.67285	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18391	1.4
57.03455	7.4
57.16161	1.2
59.01375	97.5
60.37400	1.2
61.02876	1.4
61.98825	11.7
69.03454	3.5
71.01377	27.7
71.32062	1.2
71.56689	1.2
71.57079	2.1
72.99325	2.4
73.02931	7.9
75.00860	5.0
77.52724	1.3
83.01382	8.9
84.00381	1.2
85.02943	13.2
87.00872	5.3
88.98813	2.9
89.02441	8.6
89.77643	1.3
93.03471	2.0
95.01377	6.3
96.95994	6.8
97.02927	1.7
98.95538	1.7
99.00864	5.0
99.59074	1.3
101.02435	19.0
111.00870	2.1
113.02428	14.4
114.02767	1.6
116.92821	3.6
119.03517	2.3
125.02431	3.9
133.02919	1.4
143.03485	2.4
148.05312	3.8
150.03209	3.1
151.04004	1.6
156.37999	1.6
161.04547	3.7
163.04018	1.4
163.07617	4.8
165.05539	2.4
175.00339	3.6
175.03967	3.4
183.13858	2.7
190.02739	6.3
196.05185	1.6
197.06079	3.5
205.05042	8.4
209.08046	1.5
211.13362	24.2
212.75482	1.3
222.47304	1.4
223.06149	1.5
228.11960	1.5
229.17970	2.7
241.05008	18.2
253.05104	1.4
269.04547	2.0
284.03247	9.1
299.05603	17.3
315.25397	1.5
331.85995	1.4
361.29526	13.6
367.10245	9.0
369.06143	2.1
397.13373	11.2
415.14471	5.8
435.12988	4.9
442.08267	1.8
465.13931	3.3
489.10965	1.9
505.33746	100.0
506.34216	8.0
523.34814	27.0
524.34949	2.3
549.22876	2.6
565.36133	15.3
566.37006	1.7
609.15680	7.2
609.25916	2.1
609.34546	4.0
610.15332	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03442	5.6
59.01378	95.1
61.98827	8.9
69.03426	1.1
70.70808	0.8
71.01379	13.3
71.24234	1.5
72.99301	0.9
73.02930	3.9
79.13801	0.8
83.01379	4.7
85.02953	9.4
86.00072	1.2
87.00856	1.9
89.02457	2.2
95.01358	1.5
96.96007	1.3
97.02920	1.1
99.00867	2.6
101.02444	7.7
111.00877	1.2
113.01804	1.0
113.02473	8.6
125.02460	1.2
139.44653	1.0
143.03464	1.5
143.10736	3.0
159.03011	0.9
161.04555	1.1
182.23628	0.8
211.13425	1.9
229.18071	2.8
258.58722	0.8
274.63232	0.8
284.03180	5.4
298.05017	1.1
299.05588	13.9
315.25317	3.0
341.06662	1.8
343.28458	1.3
361.29559	10.6
505.33786	100.0
506.34140	7.9
523.34863	29.4
524.35205	2.7
565.35913	12.5
600.78986	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.4
57.03440	12.8
59.01375	100.0
60.01714	2.0
61.98809	3.6
71.01375	67.0
71.56697	1.3
71.57061	1.4
72.01690	1.5
72.99290	4.4
73.02941	21.9
75.00859	10.3
83.01395	14.2
85.02947	34.2
85.26245	1.4
87.00867	6.6
89.02431	10.3
95.01375	5.5
97.02946	3.0
99.00875	14.6
99.04530	1.7
101.02435	42.3
111.00907	1.6
113.02437	30.5
115.04014	2.6
115.46478	1.3
119.03452	2.9
122.95580	1.3
125.02464	2.5
129.02002	1.3
131.03465	2.9
135.04544	1.4
137.02441	1.9
143.03476	5.5
149.81380	1.4
159.02962	3.7
161.04520	9.7
163.06071	1.4
179.05612	1.8
183.13872	1.8
190.02711	1.3
197.15421	1.5
205.05089	2.2
205.07053	1.6
211.13354	12.7
229.18085	1.7
283.22861	1.4
312.05795	1.5
315.25845	1.5
360.15143	1.6
361.15720	2.1
361.29529	12.4
397.13626	6.9
415.14520	4.7
505.33792	75.8
506.34177	5.7
523.34790	26.5
524.35553	1.8
528.27850	4.9
528.77826	2.2
547.23822	1.5
565.35748	10.3
600.29712	3.8
609.30145	56.3
609.80206	27.4
610.30463	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	609.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98196	0.9
55.01863	1.6
57.03424	2.5
58.00592	1.1
59.01379	53.2
61.98817	3.0
71.01381	19.0
71.59013	1.2
72.99290	0.9
73.02955	6.3
74.38808	1.0
75.00875	3.7
79.28632	1.0
83.01376	3.5
84.68910	0.8
85.02952	11.4
86.00047	0.9
87.00812	1.4
88.38309	0.8
89.02459	3.7
93.03452	1.3
93.07075	1.0
95.01409	2.2
96.96009	3.3
99.00880	3.9
101.02441	10.2
103.94057	0.9
111.00887	1.2
113.02446	11.5
119.03508	1.2
125.02481	1.9
129.01979	1.2
137.02374	0.9
161.04530	3.2
187.75731	0.9
213.18585	2.8
249.06169	2.6
299.25864	1.5
313.23532	1.4
315.25137	1.6
359.27957	12.8
361.29272	4.3
375.23990	1.2
489.10641	1.5
505.33798	100.0
506.34265	8.8
523.34735	12.0
524.34119	1.1
562.40442	1.0
565.35712	3.1
609.14606	1.5
609.35138	23.5
609.79547	1.3
610.35620	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	609.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34897	0.9
55.01879	1.8
57.03441	11.0
57.84248	0.9
59.01375	57.7
63.22806	1.1
71.01397	12.7
71.01797	2.0
73.02943	3.0
83.01369	4.8
85.02935	6.5
95.01392	1.4
97.02926	1.0
99.00866	1.6
101.02433	7.1
111.00867	1.7
113.02448	5.0
125.02459	1.2
136.63655	0.9
141.12918	1.1
143.03529	1.0
171.13881	3.8
173.11818	3.1
180.20120	1.0
183.13971	1.0
361.29617	9.8
362.29852	1.4
402.07092	1.2
505.33759	100.0
506.34143	9.2
523.34821	25.0
524.35162	2.4
565.35889	16.4
566.36188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	37.6
69.40231	10.2
71.01382	3.3
75.00874	1.5
85.02942	2.2
96.95993	1.6
101.02444	2.2
109.02958	3.8
113.02454	2.3
114.19861	1.5
121.02940	12.9
122.03722	10.5
123.04495	2.1
124.46765	1.3
132.02141	1.8
133.02885	2.2
134.03693	3.7
135.04482	4.1
136.05293	1.6
137.02409	2.7
147.04489	5.5
149.02388	3.6
150.03230	13.2
151.00310	2.3
160.01643	12.5
160.05363	1.4
161.06007	2.4
165.05563	32.8
166.05975	1.6
175.03979	16.7
179.07104	5.8
193.05049	2.4
195.06601	6.5
259.22733	1.3
267.07834	1.6
271.06516	2.1
283.05872	1.7
285.04041	1.7
298.98099	1.3
309.08456	1.5
311.06418	1.5
312.06351	2.8
313.06366	2.4
327.05145	2.0
329.13745	3.8
330.14313	3.0
331.14581	4.3
339.04950	1.9
339.08594	1.6
341.10364	3.8
346.14206	8.0
349.46857	1.5
357.13330	3.9
358.75772	1.7
361.16544	100.0
362.16953	7.7
369.06158	3.6
369.13379	4.2
399.07101	2.3
413.14536	28.7
414.14764	2.1
475.11661	1.5
489.10300	3.8
505.09836	10.4
528.23541	1.4
559.13562	1.7
561.19116	1.9
577.14453	12.9
591.13525	7.4
609.18970	15.4
610.20117	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	609.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.7
57.03450	3.6
59.01375	78.6
61.98829	10.7
70.43565	5.1
70.43921	2.8
71.01386	29.0
71.83070	2.5
73.02930	11.6
73.62617	2.4
75.00862	6.7
83.01378	4.6
85.02948	17.6
87.00869	3.3
88.96101	2.1
88.98801	4.5
89.02438	7.0
96.96031	4.4
98.20005	2.4
99.00927	3.3
100.61668	2.7
101.02449	15.3
105.97448	2.6
109.02953	3.0
109.29082	2.6
113.02425	17.8
119.03528	4.0
121.02930	13.9
122.03725	15.0
123.04540	4.3
132.02133	5.3
133.02939	2.7
134.03712	15.3
135.04529	4.6
147.04504	5.5
149.02441	15.9
149.06113	5.7
150.03217	40.2
150.29953	2.4
160.01633	29.8
161.04596	4.2
161.05960	3.1
165.04054	9.1
165.05553	47.9
166.04430	4.2
175.02534	3.5
175.04002	44.6
179.07166	6.0
193.05019	10.5
195.06593	22.7
237.32303	2.8
282.08957	6.0
298.11862	3.5
313.14423	5.9
328.13165	2.6
341.10172	25.9
343.15372	6.7
346.14291	4.9
357.13373	3.5
361.16486	40.7
362.16620	3.4
403.19492	5.3
413.14441	48.9
432.91510	2.7
451.61624	2.9
505.20801	100.0
505.33301	31.6
506.21167	5.8
523.21844	38.7
523.34790	9.1
524.22406	3.3
561.19678	17.0
565.22821	7.7
565.35590	5.2
573.11993	3.2
609.26550	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
56.58921	0.5
57.03462	0.4
59.01380	1.4
69.42720	3.5
71.01384	1.6
88.04047	0.6
101.02421	0.7
108.02154	0.6
109.02946	2.7
113.02419	0.6
129.98189	0.5
133.02937	9.8
134.03706	1.1
134.43307	0.5
135.04520	1.2
149.02399	1.0
150.21307	0.5
151.03990	1.1
161.02420	0.8
161.06061	0.7
163.03929	0.6
175.03954	2.8
177.01886	2.1
177.05540	1.3
179.03461	0.6
189.01863	0.9
189.05577	0.7
191.03456	1.3
201.01897	1.1
203.03499	1.5
205.01364	0.5
205.05064	1.0
213.05501	0.8
217.05014	1.0
219.02997	0.8
227.03500	0.7
230.02011	0.5
233.04416	0.9
233.95998	0.5
235.02380	0.9
241.05061	0.6
253.04962	1.1
254.05783	0.6
267.06894	2.3
269.04712	0.7
271.06235	0.7
283.06049	1.4
285.03748	0.6
297.03992	2.9
298.04776	9.7
299.05554	3.8
309.04129	1.5
310.04715	1.3
311.05585	6.4
312.06329	7.7
313.07095	7.3
323.05466	2.6
325.07141	1.7
327.05035	5.9
337.03268	0.6
339.05002	13.8
340.05533	1.3
341.06598	7.0
344.05383	0.8
351.05106	1.7
353.06607	2.8
355.07910	0.8
357.06113	2.5
367.04858	0.6
369.06079	47.8
370.06558	3.1
371.07343	0.8
381.06238	4.9
397.05536	0.9
399.07156	33.7
400.07468	2.0
407.07950	0.6
411.07172	5.4
413.08728	1.4
423.07001	0.6
429.08200	8.4
430.08218	0.6
435.07370	1.0
441.08374	2.4
447.09482	0.6
453.08606	0.6
465.07623	0.7
471.09506	2.4
489.10321	36.9
490.10858	2.8
501.10178	0.9
514.07501	0.6
519.11292	9.9
531.11853	1.0
591.13593	2.0
609.14520	100.0
610.14795	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	609.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43025	0.6
59.01350	0.7
71.01366	0.9
71.33296	0.9
97.02033	0.6
105.82842	0.6
109.02918	1.8
133.02937	9.8
134.03703	0.8
135.04512	2.1
137.02405	0.7
149.02425	1.0
151.04042	1.0
161.02345	1.0
163.03975	2.0
165.01952	1.1
175.03966	2.2
177.01884	2.1
177.05501	1.3
179.03433	1.0
189.01862	0.9
189.05447	1.0
191.03456	1.1
201.01950	1.3
203.03423	1.2
205.01443	1.0
205.04875	0.9
213.05501	0.9
225.05489	0.8
233.04611	0.9
245.04633	0.7
267.06500	1.3
269.04395	0.7
283.06046	1.2
285.03949	0.9
297.03973	3.2
298.04794	9.4
299.05533	4.1
309.04068	1.5
310.04886	1.2
311.05594	7.0
312.06305	7.9
313.07108	9.3
314.07294	0.8
323.05536	1.9
325.07101	2.0
327.05038	7.6
328.05023	0.8
339.05081	13.1
340.05325	1.3
341.06549	7.2
344.05460	0.9
351.05023	1.4
353.06595	4.0
357.05981	3.2
367.04678	1.3
369.06119	49.1
370.06491	4.1
371.07800	1.1
381.06241	5.1
383.07690	2.0
399.07172	33.2
400.07336	1.7
411.07071	4.2
413.08664	1.1
429.08209	8.6
441.08240	2.3
447.09189	2.0
459.09360	1.1
471.08954	1.6
489.10367	34.4
490.10941	3.2
519.11395	9.9
520.12079	1.7
531.11749	1.0
591.13550	1.8
609.14502	100.0
610.14825	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	609.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89461	0.6
71.01368	0.8
83.01380	0.7
95.28889	0.6
98.19850	1.4
109.02948	1.9
115.58777	0.7
123.04565	0.7
128.55882	0.6
133.02957	9.9
134.03751	1.0
135.04498	2.3
137.02261	0.8
149.02316	1.1
161.02408	0.7
163.03947	1.1
175.04027	3.8
176.94438	0.6
177.01891	3.0
177.05424	1.5
189.05542	0.8
191.97423	0.6
201.01930	1.2
203.03506	1.4
205.01340	0.8
205.05017	1.6
215.03477	0.7
217.04994	1.0
225.05687	1.1
233.04480	1.7
239.07152	0.7
245.04375	0.8
249.15657	0.6
267.06534	0.9
269.04584	0.9
283.05981	1.8
295.06033	0.9
297.03983	3.3
298.04794	9.0
299.05548	4.4
309.03931	1.5
310.04788	1.0
311.05548	6.8
312.06342	8.7
313.07080	10.1
323.05542	1.9
325.07153	1.1
327.05106	6.2
339.05045	13.4
340.05353	1.5
341.06631	7.3
344.05502	1.3
351.05026	0.9
353.06793	3.1
353.10715	0.8
357.06247	0.9
367.04529	1.0
369.06091	48.2
370.06393	2.4
371.07410	1.0
381.06189	6.0
383.07565	1.3
399.07184	33.3
400.07544	2.3
411.07184	5.0
413.09009	0.7
429.08286	6.5
430.08545	1.1
435.07355	0.8
441.08148	3.0
471.09250	2.1
489.10339	34.5
490.10745	2.1
519.11450	9.3
531.11334	1.1
591.13385	2.0
609.14532	100.0
610.14825	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	609.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29016	0.4
57.03458	0.4
59.01368	0.8
63.02388	2.3
65.00317	6.9
68.93994	0.4
69.77319	2.3
71.01378	1.7
75.00867	1.3
83.01377	4.5
85.02953	1.1
87.00867	0.5
89.02396	0.4
93.03458	4.6
95.01443	0.5
98.19904	0.8
99.00899	0.5
107.01382	11.9
113.02462	1.3
119.05020	29.5
120.05411	0.8
121.14404	0.4
125.02412	2.2
132.40561	0.4
133.02962	0.5
143.05032	0.9
145.02956	1.3
151.00354	52.8
152.00679	0.6
161.06093	1.3
165.01927	2.1
169.01384	0.6
175.02518	0.6
177.01898	4.8
185.06033	1.6
187.03993	1.5
200.56085	0.4
227.07158	2.2
267.82547	0.4
269.04651	0.6
270.04868	0.6
271.06091	100.0
272.06424	3.9
313.07056	0.4
316.09985	0.4
337.07724	2.4
339.05078	0.5
367.04605	0.5
369.05963	1.0
399.07452	0.6
415.06805	0.8
489.10736	0.5
505.09766	1.1
591.13220	0.9
609.14539	16.9
610.14838	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	609.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00766	1.3
71.01408	1.4
81.82967	1.1
85.02946	1.7
98.20699	2.1
109.02962	5.7
119.05004	1.3
133.02940	20.6
134.03737	1.9
135.04561	2.6
137.02441	1.6
145.04497	1.2
149.02422	1.8
149.06012	1.4
151.04025	1.3
161.02513	1.6
163.03868	1.9
174.03020	1.3
175.03978	6.9
177.01884	4.3
177.05540	1.5
179.03511	1.8
187.03975	1.2
189.01932	1.6
189.05441	1.3
191.03438	1.7
199.03954	2.0
201.02002	2.7
203.03387	5.8
205.01392	3.1
205.04837	1.3
213.02025	1.4
213.05618	2.1
215.03407	2.0
217.05049	1.7
219.02971	2.2
227.03322	1.2
231.02911	1.6
233.04495	1.6
235.02298	1.4
239.07063	2.0
243.06892	1.2
253.05011	1.2
261.03934	2.1
265.04974	1.4
267.06662	2.1
269.04480	2.2
269.08069	1.1
271.06027	2.7
281.04282	1.1
283.06125	3.7
293.04486	1.8
295.05859	1.2
297.04050	7.8
298.04828	12.9
299.05539	9.0
309.04071	3.6
310.04700	3.4
311.05597	18.7
312.06308	18.4
313.07047	15.9
323.05493	4.8
325.03574	2.7
325.07040	2.5
327.05057	19.1
337.03436	1.4
338.04144	2.1
339.05051	32.2
340.05490	3.2
341.06537	10.9
342.03601	1.3
344.05319	2.3
351.05090	3.2
353.06516	5.6
355.04636	10.8
357.06061	5.1
367.04556	19.3
368.04932	2.4
368.31866	1.2
369.06113	68.9
370.06360	4.2
372.04767	2.2
379.04395	1.7
381.05960	5.4
383.07687	1.5
385.05618	27.8
386.05997	2.1
397.05426	8.5
399.07205	31.2
400.07535	2.0
409.05643	2.2
411.07260	2.5
415.06656	16.0
416.07220	1.9
425.08286	1.4
427.06708	2.6
435.07468	2.0
435.73282	1.2
441.08093	1.7
447.09525	1.5
453.08279	3.4
459.08957	2.4
471.09265	22.1
472.09256	1.7
475.08713	1.5
483.09372	1.7
487.09003	9.6
488.09512	2.7
489.10324	44.9
490.10876	2.3
501.10324	5.6
505.09814	88.9
506.10095	8.5
519.11188	3.4
573.12408	4.9
591.13507	100.0
592.13885	10.6
609.14520	64.3
610.14954	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	607.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70716	1.3
57.03436	2.1
59.01379	100.0
61.64596	1.1
61.98824	15.3
70.72936	2.6
71.01380	17.1
73.02950	6.0
73.75314	1.3
75.00874	5.8
75.81240	1.2
83.01396	4.0
85.02950	9.8
89.02441	1.5
93.07154	1.3
94.41871	1.1
95.01373	2.1
96.96001	4.4
97.02956	1.1
98.54444	1.1
99.00880	2.6
101.02431	11.2
111.00891	1.4
111.08108	2.0
112.01685	1.3
113.02451	9.2
113.03115	1.5
115.26581	1.3
116.97274	2.3
117.05577	2.1
118.96951	9.6
125.02493	2.0
133.02908	1.2
133.47379	1.1
143.03436	1.7
161.04565	4.9
163.04010	3.5
178.06326	3.0
193.08658	4.6
197.11790	5.1
213.18631	4.3
219.29498	1.4
242.08087	1.5
269.04517	3.5
309.20575	2.5
340.39722	1.2
343.28302	1.3
357.22763	1.5
359.28024	7.8
375.23712	6.0
487.32745	57.0
488.33057	6.9
503.35760	4.2
505.33801	20.1
534.28278	10.3
536.22229	1.4
547.35065	7.6
563.34338	10.0
565.29578	1.9
607.36896	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	608.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
61.98828	100.0
66.79064	0.4
71.01380	0.8
71.56992	0.4
73.02948	0.5
85.02937	0.7
96.96011	0.8
113.02474	0.6
123.04522	1.1
153.05618	0.9
270.04889	0.5
280.19992	0.4
362.08939	0.4
508.35223	0.5
609.14917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14489	1.0
55.01869	2.3
57.03434	3.4
59.01376	60.3
71.01377	20.0
71.02125	2.2
73.02933	7.3
82.09172	0.9
83.01398	6.9
85.02945	11.5
87.00859	2.0
93.07080	1.8
93.66975	1.0
95.01365	1.5
97.02950	2.7
97.06586	6.1
99.00872	4.4
101.01889	1.4
101.02448	15.2
109.06555	3.1
111.00852	3.1
112.01631	1.1
113.02467	7.7
125.02382	1.5
127.07626	3.3
143.03481	1.7
161.04604	5.7
171.13969	1.8
199.16975	2.7
219.91179	1.1
233.99231	1.3
243.19705	4.9
300.69559	1.2
315.18079	3.8
317.85526	1.0
333.19089	2.0
357.22778	1.3
359.27921	1.1
374.95602	1.0
375.23761	3.8
387.23804	4.2
405.24936	2.8
451.29263	1.1
467.29974	1.5
485.30930	1.8
503.32224	100.0
504.32593	10.0
521.33221	21.5
563.34387	7.9
564.33801	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	607.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19901	0.9
57.03436	4.0
59.01377	68.3
71.01381	13.8
73.02937	6.0
78.01024	1.0
83.01378	5.0
85.02944	10.8
85.06570	1.1
87.00854	1.2
89.02441	1.8
93.07103	4.5
95.01400	2.7
97.02978	1.1
97.03693	0.9
98.19913	3.1
99.00896	2.4
101.02436	14.4
111.00875	1.5
113.02445	9.2
118.58413	0.9
125.02448	1.9
126.67873	1.0
143.03511	1.2
146.03751	0.9
159.02931	1.1
161.04515	2.6
161.05879	1.0
165.04005	1.3
229.18045	13.8
359.28079	2.2
373.22382	7.5
391.23212	7.2
439.70258	1.1
485.30246	1.1
503.32233	100.0
504.32538	9.0
521.33228	22.7
522.33667	3.0
563.34369	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03452	4.2
59.01378	89.3
60.01698	1.1
60.99299	1.2
61.98808	0.8
69.03457	1.2
69.35358	3.1
69.35796	4.1
71.01382	19.1
72.99290	1.0
73.02940	6.7
75.00888	0.9
81.03441	0.9
83.01394	6.2
83.85573	0.9
85.02947	12.3
87.00895	2.7
88.98805	6.6
89.02439	1.6
93.07096	4.3
95.01418	2.0
96.96019	1.3
99.00888	3.1
101.02436	16.1
111.00925	1.9
112.01624	1.1
113.02453	11.1
119.03482	0.9
134.03748	1.1
143.03456	1.3
143.10762	1.6
149.02440	0.9
159.02948	1.2
161.04527	4.9
163.04080	0.8
165.04057	2.4
172.13914	1.0
193.05104	1.2
229.18033	11.0
239.31432	0.8
269.04446	3.9
359.28079	2.6
373.22327	7.2
385.12952	1.0
391.23279	12.5
455.30173	1.0
500.64224	1.1
503.32224	100.0
504.32629	9.8
521.33295	27.9
522.33771	2.8
563.34546	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	607.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.5
59.01377	100.0
61.98824	3.6
64.26180	1.8
71.01385	38.0
71.57077	2.4
72.99303	2.5
73.02949	45.3
75.00873	7.3
82.95406	6.4
83.01383	13.7
85.02953	12.0
86.95244	1.9
87.00888	4.3
88.98806	5.1
89.02438	13.0
95.01411	3.3
96.95996	5.0
101.02435	39.6
108.02172	2.3
113.02438	26.6
119.03473	4.5
121.02928	2.9
123.04539	6.5
125.02397	2.2
131.03552	3.0
143.03494	2.7
149.02448	1.7
149.04556	4.9
149.05821	2.1
153.05569	6.1
159.34027	1.8
160.05309	4.8
161.04582	14.1
161.05835	3.0
165.04071	9.9
165.05290	1.7
172.05338	3.5
175.07576	2.3
179.05650	3.0
189.05568	5.8
190.06349	7.5
193.04936	2.6
205.08675	5.9
221.06599	3.1
238.29987	2.1
240.05452	3.9
241.06165	2.2
269.04520	8.2
283.06967	5.1
295.06903	2.8
296.10489	4.9
298.04868	3.8
299.05243	3.8
300.05521	2.2
309.08701	4.5
311.05414	4.2
311.12979	5.7
312.06378	3.4
313.06540	5.0
314.07007	5.7
315.09814	6.1
320.09293	2.3
323.09369	3.4
335.31635	1.9
337.03867	2.0
337.07681	8.6
341.10306	1.8
341.13913	33.6
369.11017	4.0
383.07523	3.9
384.07764	2.2
385.08282	4.5
401.07724	4.2
403.13937	3.2
413.08463	2.2
431.09000	2.5
437.08685	2.2
503.12241	2.6
503.19531	16.7
503.32166	32.1
503.39102	3.3
505.12408	6.5
519.11060	1.9
520.11987	3.2
521.11963	11.2
521.19647	3.4
521.33228	9.2
557.05505	2.0
557.12646	9.0
558.13263	2.4
563.21466	4.9
589.15259	9.1
607.14520	15.1
607.21411	36.4
608.21619	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	607.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50995	1.2
59.01363	3.5
62.42430	1.5
64.24323	1.4
71.32958	2.6
82.95409	1.4
96.29781	1.3
109.57887	1.4
117.03484	2.6
121.02927	2.8
122.03700	2.1
123.04514	1.7
135.04480	1.9
137.02516	1.4
144.03278	1.4
149.02466	2.2
150.03183	3.4
152.14340	1.3
158.03777	2.1
159.04468	5.6
160.05293	22.0
161.06064	7.0
163.03946	5.3
164.04744	4.0
173.06055	2.7
175.03923	1.7
175.07640	20.6
177.05550	8.1
178.06290	7.4
192.07860	1.9
193.08615	3.1
269.04553	14.4
283.06134	3.9
295.06024	2.6
297.07590	5.1
311.05521	5.8
312.06284	7.8
313.06390	1.4
323.05496	2.7
327.05020	1.9
329.13904	100.0
330.14307	7.4
339.04974	3.4
351.05151	2.6
353.06665	13.1
359.15015	6.7
365.06519	2.4
369.06165	5.7
381.05975	1.8
383.07645	10.7
399.07144	3.5
413.08746	3.1
473.11069	8.9
487.12430	1.9
489.09891	2.2
557.13293	2.0
575.14026	32.2
576.14447	3.5
607.16663	34.5
608.16772	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	607.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.7
70.77957	2.0
71.01375	1.3
71.14345	0.8
90.24296	0.7
121.02964	3.8
122.99982	0.7
123.00920	1.7
131.39525	0.8
136.05278	1.5
146.03757	0.9
147.04474	2.0
149.02399	1.4
150.03200	5.4
158.03708	2.4
159.04495	7.8
160.05298	25.7
161.06075	7.9
163.04030	5.1
164.04791	4.3
166.56984	0.9
173.06026	3.4
174.06723	1.0
175.07635	22.6
176.04715	1.2
176.07973	0.8
177.05586	7.2
178.06345	8.6
182.95619	0.8
192.07906	1.7
193.08661	2.5
269.04306	1.2
311.05481	1.1
329.13907	100.0
330.14127	5.3
332.13632	0.9
339.06671	1.0
359.15051	5.0
360.15045	1.0
449.10928	0.9
488.99304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14280	1.0
58.57735	1.3
59.01369	1.7
71.01383	1.9
71.01877	2.2
117.03466	4.5
118.07761	1.0
118.98087	1.2
121.02918	1.3
149.02426	2.6
150.03273	1.6
159.04498	2.5
159.69417	1.1
160.05302	5.9
161.02419	4.3
161.06096	2.1
163.03957	2.6
173.06102	2.0
175.03969	2.3
175.07658	5.6
177.01912	2.7
177.05574	2.8
178.06349	1.9
178.82001	1.3
191.03519	2.1
203.03526	2.9
207.03078	1.4
218.10782	1.0
219.03069	1.6
247.05995	1.5
269.04547	4.6
275.05417	1.9
281.04465	1.8
282.05258	2.6
283.06058	11.6
294.05313	1.1
295.06006	7.6
297.04626	1.6
297.07657	8.7
299.05682	1.4
307.06149	2.4
309.04034	1.6
309.07486	3.1
311.05582	17.5
312.06332	13.1
322.04501	1.4
323.05450	10.0
324.06192	1.3
325.07144	3.8
328.05902	2.4
329.13919	26.1
330.14279	1.3
335.05725	2.5
337.07129	6.4
339.05090	10.7
341.06693	5.4
351.05099	4.9
353.06644	19.1
354.06873	1.8
355.08188	2.2
359.14920	1.4
363.04996	2.6
365.06589	2.6
367.08246	2.0
369.06091	10.4
381.06079	3.4
383.07602	17.6
384.07870	1.3
393.06183	1.8
395.07642	2.4
399.07147	3.5
403.13599	1.3
411.07303	1.8
413.08694	5.3
431.09741	2.0
437.08661	1.2
441.08572	1.3
443.09854	3.2
457.11581	2.0
459.09369	9.6
471.09064	6.6
473.10788	12.5
483.09631	3.2
487.12979	2.2
489.10440	5.1
501.10474	2.3
503.11951	2.0
531.11365	2.8
557.12988	16.3
562.95587	1.2
575.13995	100.0
576.14294	10.6
607.16687	39.1
608.17169	3.4
629.11169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99917	0.4
59.01379	4.7
60.99302	15.8
64.65580	0.4
71.01385	2.3
71.38774	0.4
71.56695	0.5
73.02928	0.7
75.00875	0.7
80.81994	0.4
82.18310	0.4
85.02949	1.2
88.98801	100.0
89.02467	0.7
89.99149	0.5
95.01345	0.5
96.96009	2.9
101.02431	1.2
113.02448	1.6
123.04517	1.8
149.04550	1.1
153.05551	2.7
161.04526	0.9
165.04059	1.1
193.05090	1.3
207.02702	0.4
225.05708	0.4
253.05017	0.5
268.03821	0.8
269.04532	24.2
270.04773	1.0
284.03189	0.7
299.05640	1.0
311.05655	1.7
353.10391	0.6
403.14041	0.9
492.31900	0.5
503.31894	2.0
521.32935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50966	0.2
59.01302	0.6
63.02326	1.3
65.00264	0.7
70.32965	0.6
71.01305	1.1
71.88306	0.2
72.99241	0.4
75.00862	0.9
83.01341	0.2
85.02947	1.0
86.96548	0.2
87.00809	0.4
93.03390	0.3
96.02241	0.2
98.20551	0.3
99.00813	0.4
105.82751	0.2
107.01377	1.5
113.02451	1.2
117.03452	3.7
133.02908	0.3
135.04416	0.3
147.06660	0.2
149.02415	0.9
151.00304	0.6
159.04521	1.3
161.02365	0.8
169.06552	0.4
177.01851	0.4
181.06538	0.3
183.04369	0.7
193.03638	0.2
196.05135	0.4
197.06015	0.6
199.03867	0.2
201.05504	0.6
206.53595	0.2
224.04845	0.3
225.05527	1.0
227.03540	0.4
268.03900	0.4
269.04529	100.0
270.04849	5.5
281.04526	0.3
283.06253	0.5
298.04898	0.4
311.05545	2.1
312.06339	4.3
313.06720	0.3
323.05743	0.9
325.07108	0.2
327.05157	0.3
337.07761	1.2
339.05075	0.6
341.06714	0.6
344.04861	0.2
353.06924	0.5
355.08432	0.3
371.07565	0.2
383.07697	3.5
395.07645	0.4
413.08780	2.1
425.08728	0.2
431.10077	0.5
443.09802	0.2
487.12637	1.4
503.12576	0.3
607.16626	9.2
608.17224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
69.56081	5.0
71.01391	1.2
79.01873	1.3
93.03489	1.4
117.03444	6.8
134.03673	1.1
135.04520	2.2
137.02472	1.3
145.02975	1.3
149.02457	1.0
159.04555	1.0
161.02412	3.7
163.00331	0.9
163.04008	1.3
165.01817	0.9
175.03970	1.9
177.01912	2.0
189.01909	1.7
191.03520	1.3
191.42763	0.7
201.01967	1.7
203.03458	2.9
206.66045	1.0
207.02925	4.0
215.03581	0.9
217.05000	1.2
219.02942	1.2
231.03011	1.2
233.04547	1.1
235.02515	1.0
251.07167	0.9
253.04869	0.9
267.06445	1.1
269.04559	12.6
275.05655	1.6
279.86380	0.7
281.04584	3.8
282.05338	3.0
283.06064	14.5
293.04376	0.8
294.05173	1.2
295.06067	9.0
296.06805	2.1
297.07645	11.6
298.04547	0.8
307.06128	3.8
309.04150	1.4
309.07669	3.3
311.05606	18.4
312.06305	6.7
319.05713	0.8
321.07855	1.1
322.04932	1.3
323.05600	12.6
324.06302	1.3
325.07068	6.4
328.05759	3.0
335.05545	2.5
337.07043	5.9
339.05118	9.2
341.06711	5.6
349.07193	1.3
351.05084	6.4
353.06631	27.4
354.07111	2.0
355.08170	1.5
356.05313	1.3
363.05121	2.7
365.06366	4.3
367.08252	2.0
369.06067	14.6
378.46924	0.9
381.06265	6.2
383.07721	17.9
384.08179	1.3
393.06049	1.4
395.07407	1.9
399.07153	4.0
411.07278	2.8
413.08768	2.5
419.07532	1.0
425.08530	2.0
431.09833	2.7
437.08893	2.0
443.09894	1.9
455.09955	3.5
457.11172	1.5
459.09238	12.3
460.09341	1.1
467.09335	1.0
471.09152	6.0
472.09814	1.7
473.10867	37.2
474.11240	2.1
479.09665	1.0
483.09470	2.5
485.10812	1.4
487.12112	1.7
489.10464	9.9
490.11020	1.6
501.10324	3.3
503.11899	3.0
531.11285	2.5
557.12952	15.6
558.12964	1.0
575.14008	100.0
576.14154	9.8
607.16577	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	606.0738
Annotation	Uridine diphosphate-N-acetylglucosamine
Peak:m/z	Relative Intensity
50.30856	0.4
59.01379	0.6
59.55941	0.3
61.23641	0.3
61.81345	0.3
61.98803	0.5
62.96404	0.9
71.55603	0.5
72.69857	0.4
72.88784	0.4
76.31645	0.4
78.95898	100.0
96.95996	1.5
96.96954	15.3
111.01998	12.1
112.51177	0.4
119.98542	1.3
134.96045	1.3
136.93982	1.2
136.96500	0.5
138.98055	0.4
150.98001	0.8
158.92525	42.8
161.99608	1.0
162.97955	0.7
164.77402	0.4
174.97989	2.7
176.93578	8.3
178.95067	6.1
179.95163	1.4
180.77763	0.5
180.94757	0.4
184.22044	0.4
192.99054	1.0
201.02686	0.5
211.00136	0.8
222.01625	0.6
240.02768	1.3
251.64835	0.4
260.95657	2.0
264.02753	1.2
272.95688	14.3
280.89294	0.4
282.03787	16.4
283.04181	0.5
300.04828	2.2
305.01697	2.2
319.99265	0.4
320.96158	4.1
321.96393	3.0
322.96088	0.9
323.02792	4.5
343.99231	0.6
362.00443	6.7
384.98398	17.1
385.98590	0.9
402.99460	6.5
463.97781	0.6
606.07361	59.9
607.07574	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	605.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90162	1.2
56.40873	1.3
58.71804	1.2
59.01373	32.7
59.12040	1.1
61.98817	4.4
69.03422	1.6
69.28749	9.4
71.01377	12.0
72.99329	1.6
73.02934	3.3
75.00904	1.8
75.02973	1.3
83.01381	2.4
83.05002	2.0
85.02937	4.1
89.01949	1.6
89.02435	8.6
96.96004	7.5
97.02942	5.9
99.00878	1.8
101.02441	10.3
111.08154	5.0
113.02433	5.2
119.03480	2.1
120.63314	1.3
123.04539	1.7
125.09760	1.9
130.75424	1.4
133.03075	1.6
135.47166	1.3
137.09697	2.0
151.11258	1.4
157.72511	1.3
161.04514	4.0
165.12808	2.7
167.84702	1.3
169.12442	1.7
171.10246	4.2
171.95259	1.4
193.29533	1.5
197.11795	27.3
199.13417	2.3
209.11852	1.5
211.13466	7.0
227.12872	2.8
233.85547	1.4
239.03433	2.3
247.20773	3.4
253.09224	41.0
254.05855	1.9
263.20151	2.3
268.34744	1.6
269.08209	4.4
291.19608	31.8
292.20120	1.6
309.20688	100.0
310.21005	7.9
442.02612	1.5
545.29443	3.1
545.36853	3.7
561.32959	2.7
605.36237	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58154	1.0
55.01873	4.1
57.03440	3.9
58.00597	1.1
59.01379	100.0
59.86275	1.2
60.01705	1.9
61.98815	3.1
69.03442	1.8
69.40182	8.1
71.01379	44.5
72.99300	2.0
73.02548	2.2
73.02946	34.5
75.00867	11.7
82.95409	3.5
83.01379	10.9
85.02965	10.2
87.00874	2.3
88.98797	2.3
89.02439	17.1
95.01371	3.6
95.51127	1.2
96.96001	5.1
98.20669	2.0
99.00882	1.5
101.02438	35.6
108.02159	1.7
112.04041	2.7
113.02443	28.5
113.03615	1.9
114.64525	1.1
119.03481	7.3
122.97385	1.1
123.04527	2.3
125.02439	3.1
129.01926	2.9
131.03464	2.7
131.04613	1.7
135.04491	2.1
137.02502	1.0
143.03448	5.6
146.59109	1.2
147.02939	1.2
149.04588	6.2
149.05556	1.2
150.03241	1.3
153.01845	1.5
155.04642	2.0
161.04547	15.5
161.09769	1.2
165.04018	19.6
165.05299	2.0
177.01857	1.2
179.05595	7.9
187.11182	1.9
189.01883	5.4
203.07217	2.1
221.06657	1.2
265.07104	1.9
279.06461	2.8
294.08859	1.2
309.07565	3.0
309.11264	4.5
317.12225	1.7
323.08981	1.5
339.12332	8.1
357.13522	1.4
371.11243	2.1
383.07156	1.2
383.11359	2.0
386.45200	1.3
401.11996	1.6
457.20599	3.1
487.21585	2.7
501.30652	14.8
502.31299	1.2
519.31433	6.0
520.32220	1.3
555.11151	1.6
561.33209	1.9
569.24500	1.3
605.15247	2.4
605.24164	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	605.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56874	0.4
60.00351	0.5
61.98813	0.8
65.94247	0.5
69.66091	0.5
70.02055	2.1
70.83618	0.4
78.95888	1.0
117.08248	0.5
167.01132	0.6
195.70755	0.4
240.38823	0.4
429.17056	0.8
430.17975	1.0
441.39343	0.5
443.18594	0.5
457.20074	1.4
459.18314	1.8
460.18222	0.7
470.20859	0.9
471.18314	1.7
473.19690	5.0
474.20081	0.6
485.19800	2.4
486.21054	3.7
487.20929	1.3
496.19159	1.1
499.17746	1.8
501.22681	2.5
511.21356	1.7
513.19360	1.7
514.20068	8.0
515.20587	1.1
518.19409	1.4
529.22388	100.0
530.22699	11.0
530.29407	0.3
532.20929	1.8
533.21747	2.0
561.24878	0.8
573.21631	1.1
605.24133	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	605.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63115	0.4
59.01379	3.8
61.98827	0.7
65.25662	0.4
65.71078	0.5
69.26324	4.3
71.01376	1.1
71.45869	0.6
73.02940	1.2
75.43940	0.5
78.66208	0.4
91.30072	0.5
93.07091	1.8
96.96010	1.2
98.95549	0.7
101.02433	1.1
116.92831	0.6
118.51815	0.4
156.01691	0.4
227.16512	11.3
241.18114	0.8
297.24463	1.2
309.24292	0.8
327.25366	10.6
328.25949	0.5
339.25226	4.3
350.91415	0.5
357.26425	100.0
358.26801	6.0
389.49405	0.5
399.27563	1.0
605.34937	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	605.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33730	0.4
51.98291	0.5
57.03447	100.0
58.03788	0.7
59.01382	5.6
60.89486	0.5
64.18038	0.5
66.16934	0.6
69.33235	0.8
69.33637	3.6
71.01389	1.5
73.02940	0.6
81.03448	3.2
83.01398	1.6
85.02932	0.9
96.96017	0.8
98.20712	0.9
99.04516	32.8
101.02439	25.6
113.02452	1.0
125.02435	3.8
165.04106	1.2
177.05539	0.7
199.44997	0.5
203.07487	0.6
255.06621	0.9
267.03000	1.8
267.06601	0.9
283.06174	2.5
283.09421	0.6
293.04807	0.8
294.05362	1.4
296.06979	1.3
297.07635	0.8
298.08493	0.5
308.06979	1.6
309.07776	2.0
310.08493	1.1
311.05637	8.1
311.09167	1.3
312.06424	0.8
323.09332	1.9
324.10187	1.4
326.07938	15.8
327.08685	2.1
327.12387	1.3
338.11649	1.6
339.08710	2.4
339.12518	2.9
341.10260	25.2
342.10788	4.4
354.11115	0.9
355.11877	0.8
356.12604	21.8
357.13321	7.3
358.14200	0.6
369.13309	7.8
370.13861	0.9
413.15869	0.7
431.17249	2.0
443.16968	0.6
455.17026	2.8
461.18420	0.6
473.18106	22.6
474.18878	1.8
495.20303	2.8
501.30951	2.1
503.19394	1.3
513.21234	35.6
514.21686	3.4
543.22284	2.4
605.22150	7.8
622.31409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33730	0.4
51.98291	0.5
57.03447	100.0
58.03788	0.7
59.01382	5.6
60.89486	0.5
64.18038	0.5
66.16934	0.6
69.33235	0.8
69.33637	3.6
71.01389	1.5
73.02940	0.6
81.03448	3.2
83.01398	1.6
85.02932	0.9
96.96017	0.8
98.20712	0.9
99.04516	32.8
101.02439	25.6
113.02452	1.0
125.02435	3.8
165.04106	1.2
177.05539	0.7
199.44997	0.5
203.07487	0.6
255.06621	0.9
267.03000	1.8
267.06601	0.9
283.06174	2.5
283.09421	0.6
293.04807	0.8
294.05362	1.4
296.06979	1.3
297.07635	0.8
298.08493	0.5
308.06979	1.6
309.07776	2.0
310.08493	1.1
311.05637	8.1
311.09167	1.3
312.06424	0.8
323.09332	1.9
324.10187	1.4
326.07938	15.8
327.08685	2.1
327.12387	1.3
338.11649	1.6
339.08710	2.4
339.12518	2.9
341.10260	25.2
342.10788	4.4
354.11115	0.9
355.11877	0.8
356.12604	21.8
357.13321	7.3
358.14200	0.6
369.13309	7.8
370.13861	0.9
413.15869	0.7
431.17249	2.0
443.16968	0.6
455.17026	2.8
461.18420	0.6
473.18106	22.6
474.18878	1.8
495.20303	2.8
501.30951	2.1
503.19394	1.3
513.21234	35.6
514.21686	3.4
543.22284	2.4
605.22150	7.8
622.31409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70140	2.5
54.28603	2.6
54.55545	2.3
59.01377	16.2
59.79049	2.7
67.53419	2.5
71.01373	8.9
71.26112	3.1
71.26442	3.2
72.99303	4.9
73.02932	5.4
75.00869	28.8
80.41280	2.4
81.26004	2.4
85.02946	5.8
87.00860	2.4
89.02441	4.0
99.00865	2.8
113.02412	6.3
121.02962	3.3
165.04028	56.4
175.02513	4.1
175.03987	6.2
193.03600	4.5
194.54782	2.5
209.99626	2.5
253.05081	3.2
263.07169	4.6
267.06760	3.6
269.08081	6.0
279.06360	4.5
279.09079	5.3
281.08087	11.1
293.08124	3.5
294.08832	4.3
296.10477	3.0
297.07715	34.3
309.07651	39.6
309.11130	9.2
310.08173	3.0
311.05585	4.3
312.06372	10.8
312.09988	27.7
323.09164	5.2
324.09964	27.2
327.12350	100.0
328.12729	4.6
339.05383	2.9
339.12350	74.0
340.12354	3.9
351.05609	16.8
357.13327	3.6
381.06027	2.8
383.07642	10.4
399.07056	5.6
411.06854	3.3
424.60056	2.8
447.09106	3.1
501.10077	3.0
503.11667	4.3
519.11334	9.4
605.15112	33.9
605.24390	6.3
606.15582	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	605.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.8
57.33853	1.0
59.01378	17.6
62.62939	1.0
63.96723	1.0
65.44316	1.1
66.84315	1.0
68.21532	1.0
69.35933	1.1
70.30782	3.5
71.01370	4.7
72.99259	1.4
73.02953	2.6
75.00865	37.0
75.01299	2.0
77.47234	0.9
78.62756	1.1
83.01386	1.4
85.02975	1.9
89.02435	3.2
93.17368	1.3
96.24511	1.1
96.96006	2.2
98.19871	1.4
99.30322	1.1
101.02421	4.1
103.00371	1.7
113.02439	2.2
119.03445	1.5
121.02931	2.6
125.02397	1.3
129.01942	8.0
145.02968	1.6
147.02943	2.5
147.23796	1.1
161.04498	1.8
163.03909	1.3
165.04047	100.0
175.03987	4.2
190.06325	2.9
218.02454	1.1
222.05330	3.0
235.07568	1.9
251.07083	1.4
263.07010	2.6
267.06583	3.0
269.04489	9.4
269.08047	3.0
279.06625	3.8
280.07352	1.5
281.05255	1.1
281.08051	5.6
282.05283	1.2
291.06607	2.1
293.08115	2.4
294.08960	2.7
296.10483	1.3
297.04373	2.1
297.07654	19.0
298.04742	2.8
298.07990	1.9
309.04303	1.8
309.07620	22.7
309.11243	6.2
311.05515	2.7
312.06329	6.0
312.09973	21.7
320.09241	1.2
323.09274	4.7
324.10013	17.6
327.12357	70.0
328.12607	4.1
336.02521	1.3
339.12344	55.5
340.12576	3.3
341.06555	2.1
353.06522	2.2
381.06439	2.0
383.07727	4.0
399.07248	3.3
413.08603	2.3
473.10864	1.3
501.10309	13.2
503.11823	2.7
519.11371	7.0
520.11340	1.3
561.11365	1.2
587.13916	2.0
605.15021	15.8
605.24640	5.0
606.15283	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	605.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84838	2.8
55.01890	3.0
59.01376	100.0
59.55937	2.3
69.97556	2.6
70.08184	6.0
70.08586	7.8
71.01376	33.1
73.02943	58.9
75.00868	2.5
82.95397	3.3
83.01376	16.6
85.02953	8.2
87.00883	3.3
89.02446	10.8
101.02437	43.1
113.02454	20.4
119.03471	4.5
123.04458	3.6
136.01665	23.1
143.03542	7.4
149.04533	8.8
151.04002	26.3
161.04491	14.7
165.04045	6.9
203.05400	3.0
203.07140	5.1
221.06645	3.0
253.04916	7.7
263.07025	3.4
269.04507	11.3
279.06552	4.3
291.06406	3.8
294.09021	4.7
309.07971	3.9
309.11252	18.9
324.09720	4.2
327.12183	4.2
339.12366	17.0
357.13437	31.4
381.13208	2.9
383.11090	4.8
501.30829	3.7
531.18707	3.4
534.85132	3.3
543.18683	6.3
605.15686	3.3
605.24805	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	603.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98814	8.1
67.58791	2.4
71.01375	6.5
71.57980	4.3
84.50121	2.3
85.02934	3.7
96.95997	8.1
98.40063	2.3
113.02481	2.5
141.95889	2.6
167.03555	2.4
167.34279	2.7
170.57932	2.3
211.13422	2.5
296.63263	2.7
439.01706	2.8
499.32809	29.2
517.33594	9.9
603.31152	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	605.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08970	0.6
54.99294	0.5
57.03450	0.8
59.01146	0.5
59.01379	5.9
64.93324	0.6
70.33591	0.6
70.95927	1.4
71.01377	3.4
73.02950	0.7
75.00860	1.5
80.91680	1.0
85.02955	1.3
87.00880	1.0
89.02435	0.9
96.95999	3.2
100.68334	0.5
101.02428	1.8
101.77841	0.6
103.04031	0.8
109.02970	1.1
113.02401	0.8
117.03442	1.8
119.04918	0.8
123.04517	0.7
132.02161	0.9
133.02950	3.9
134.03706	2.2
135.04471	1.2
147.04494	1.2
150.03142	0.8
151.03880	0.8
159.04547	0.6
161.02425	1.3
161.04543	0.7
162.03246	0.6
163.00357	0.7
163.03964	1.0
165.01852	1.1
165.04025	2.1
165.05333	0.6
175.03902	1.3
176.01114	0.8
177.01912	2.9
178.85687	0.6
179.03490	1.4
189.01826	1.1
191.03462	1.9
193.06602	0.6
201.01901	0.6
203.03496	1.2
205.01385	0.9
207.03001	4.2
219.02921	1.7
221.06227	0.8
225.05496	0.8
231.03069	0.9
237.03822	1.1
239.07077	0.7
249.03812	1.1
253.05057	0.8
255.06596	1.0
265.05145	1.2
267.06509	0.8
269.04486	2.4
281.04471	1.7
282.05231	1.9
283.06015	2.6
284.03134	0.9
285.03931	0.9
289.10748	0.7
293.04413	1.6
295.06012	1.0
297.04050	3.7
297.07147	0.7
298.04776	16.2
299.05411	3.1
308.03049	0.9
309.04031	2.6
310.04614	2.4
311.02081	0.8
311.05600	14.7
312.06366	39.3
313.06927	4.2
320.09155	0.8
321.04123	3.9
322.04755	1.8
323.05621	3.6
324.05984	0.9
325.03384	1.6
325.07053	1.8
326.04089	0.8
326.07730	0.9
327.05038	4.8
327.08466	1.2
335.05545	0.8
336.02725	1.8
337.03375	3.5
337.07135	1.1
338.04312	4.0
339.04910	5.1
339.08630	1.3
340.05634	0.9
341.06638	8.6
344.05463	2.7
350.04028	1.5
351.04971	1.8
353.06613	4.6
354.07278	0.9
355.04477	3.1
355.08316	3.4
357.06073	2.0
358.06668	2.3
365.06760	0.8
366.03674	2.1
367.04227	0.8
368.05246	1.8
369.05994	3.3
371.07629	3.2
381.06189	6.4
383.07672	31.5
384.08041	2.3
385.05365	1.5
393.06143	1.4
395.07672	2.5
396.04706	1.0
397.05612	1.5
399.01947	0.9
399.07187	19.7
400.07614	1.4
411.07108	3.6
413.08719	11.4
414.09146	0.9
425.08603	2.0
429.08179	10.4
430.08777	0.9
441.08093	1.4
455.10181	1.0
459.09015	0.8
461.10840	2.5
469.07547	2.0
470.08301	2.7
471.09589	0.7
473.10721	1.0
485.10773	2.1
501.10367	28.5
502.10760	2.7
503.11945	28.7
504.12122	2.1
515.11780	1.8
517.09918	5.2
517.40930	0.7
518.10651	1.2
519.11420	45.3
520.11853	3.4
587.13593	2.3
593.85071	0.6
605.15039	100.0
606.15289	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	603.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11576	0.4
55.01869	0.6
57.03439	1.0
58.00589	0.6
59.01378	36.8
61.98813	1.3
71.01378	10.8
72.99301	0.8
73.02947	4.1
75.00858	0.8
77.85600	0.5
82.27008	0.5
83.01389	1.6
85.02951	3.4
89.02448	6.3
95.01380	0.7
96.96020	3.2
101.02438	6.0
113.02446	7.4
119.03493	3.4
125.02434	0.6
131.03511	0.6
143.03468	1.2
145.02939	2.5
148.05339	0.8
161.04474	2.8
163.03975	1.2
163.07658	0.5
165.04073	0.8
179.05583	1.8
179.08762	0.6
219.08112	1.1
221.06047	0.7
233.06062	0.7
235.07642	2.4
237.09212	1.2
239.07089	1.0
245.05890	0.7
246.06744	0.8
247.07559	1.1
251.07004	0.7
253.08670	2.5
262.06290	1.0
263.07083	7.8
264.07858	0.8
265.08658	1.1
268.11069	1.1
273.05560	0.9
274.06210	0.7
275.07043	1.5
281.08170	15.9
282.08469	1.1
291.06720	4.0
292.07367	1.7
293.08191	5.0
294.08914	2.8
295.09824	1.3
296.10471	3.2
307.09674	0.9
308.07349	0.9
308.10425	3.8
309.07678	57.6
310.08005	3.5
321.11194	0.9
323.09216	9.1
324.09985	30.1
325.10440	1.3
339.12335	100.0
340.12683	6.5
381.13229	1.1
499.29095	1.9
517.30304	1.0
543.27826	3.0
561.28870	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	52.1
61.98814	8.5
64.17797	3.2
71.01366	9.8
71.56895	4.0
73.02937	4.8
77.82085	3.0
80.33482	3.1
85.02940	3.0
89.02448	6.5
96.95985	6.1
97.06589	4.5
101.02425	12.6
101.48332	2.7
102.28403	3.1
123.04520	5.7
125.09720	4.0
137.09674	3.5
161.04482	6.5
163.11263	6.5
171.10213	5.2
185.11800	10.2
191.14301	3.8
209.11801	25.2
211.13461	3.4
237.11363	5.3
245.19083	15.1
253.09280	38.5
263.20090	4.6
289.18085	87.3
290.18359	5.2
307.19131	100.0
308.19492	5.3
316.98132	3.5
387.05728	3.1
450.55695	3.5
502.76892	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.8
60.99300	13.2
61.98843	1.8
70.03435	1.4
70.03822	1.7
87.00865	5.2
88.00401	7.0
88.04041	1.7
88.98804	89.3
89.02441	100.0
90.02787	0.7
96.96021	1.1
100.36127	0.8
109.02946	3.5
123.04482	1.3
255.02971	3.8
270.05417	1.4
277.21783	0.8
285.07770	1.5
301.07394	0.7
302.07968	3.2
343.63721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.0
60.99306	16.8
68.82176	1.8
69.33542	1.7
72.90766	1.6
78.95900	4.3
87.00871	5.4
88.00391	9.2
88.04019	2.0
88.98804	88.5
89.02443	100.0
96.96004	19.7
98.20770	3.9
101.15203	1.7
109.02917	4.2
131.21994	1.9
152.99519	2.0
245.40718	1.8
255.02975	4.7
264.41885	1.9
277.21732	2.8
281.21808	1.6
285.07620	2.4
343.01031	2.1
432.80161	2.3
505.25647	2.4
595.21637	1.9
603.20685	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	603.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	1.2
65.03962	1.3
66.32637	0.6
71.47217	1.3
74.30113	0.7
77.54614	0.6
78.95884	0.8
88.98795	0.7
96.96016	7.1
108.02136	6.2
109.02946	64.6
110.03269	1.4
123.00861	1.3
123.04520	16.7
133.07835	0.8
135.00893	1.0
151.03992	1.1
158.65065	0.7
163.00374	1.2
183.04454	2.1
211.03973	3.3
227.03432	1.9
239.03439	2.8
254.05782	4.5
255.02960	100.0
256.03326	4.4
256.05664	0.8
269.04477	2.7
269.08185	3.2
270.05322	26.6
271.05661	0.9
285.07663	41.6
286.08017	2.4
287.05615	9.3
287.08688	1.2
301.07175	11.7
302.07938	39.7
303.08231	2.6
317.10239	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	601.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.2
59.01377	35.2
61.07266	1.0
61.98822	1.7
69.03410	1.4
71.01376	15.1
71.05032	1.3
71.56632	2.1
73.02940	8.3
75.00865	2.2
77.38076	1.0
79.22086	0.9
81.36095	0.9
83.01387	3.4
83.05022	3.4
85.02936	6.7
87.04509	37.5
89.02448	4.3
92.28294	1.1
96.96008	11.7
99.00862	2.1
99.04491	5.3
100.18542	1.1
101.02436	8.5
101.06047	2.4
113.02413	5.7
113.06094	1.1
123.04536	2.7
131.03513	1.2
143.03506	1.5
149.04556	2.6
155.03484	1.2
161.04546	1.9
180.94421	1.0
203.18010	2.4
204.18303	1.1
215.18201	1.4
220.85808	1.0
273.16260	1.1
273.21973	1.2
275.20227	1.0
285.04004	3.5
353.23288	100.0
354.23624	7.2
377.23169	5.2
557.29529	4.3
601.30231	9.5
601.80579	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	601.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85080	1.2
57.03454	10.1
59.01378	41.8
61.98826	10.9
69.03438	1.6
69.38699	1.4
71.01372	22.9
71.05025	1.2
72.02138	1.9
72.99300	2.4
73.02941	9.3
75.00873	3.0
81.03472	1.4
83.01392	4.4
85.02953	12.4
87.00875	2.9
87.04512	34.4
88.98783	2.3
89.02444	7.0
95.01367	2.2
96.96001	29.8
97.02930	1.4
98.19863	3.3
98.95596	1.2
99.00859	4.7
101.02430	15.9
103.41737	1.3
105.01951	1.3
111.08180	1.5
113.02458	8.8
116.92825	2.7
123.04543	2.0
125.02454	3.2
137.02420	2.7
137.09723	12.2
143.03465	2.1
148.05289	5.7
155.10773	5.4
161.04517	8.9
163.07680	3.5
169.12331	2.3
171.13998	1.4
175.04016	1.7
207.08716	8.4
244.98805	1.3
267.06549	1.6
275.07748	5.2
281.08218	2.6
321.07303	1.4
337.07111	2.7
353.06598	2.6
353.23300	100.0
354.23544	6.5
359.22159	1.5
377.23413	3.4
393.11914	3.9
439.10376	1.4
513.26306	1.7
515.12097	2.1
536.99884	1.4
557.29474	4.4
569.25342	1.9
601.15216	10.3
601.30005	8.3
601.80249	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	601.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20348	3.9
74.81202	1.0
79.66279	1.1
88.97135	1.0
96.95969	1.2
103.34914	1.1
108.02169	53.6
109.02987	10.0
151.04057	1.4
152.01141	50.4
153.01933	28.0
153.11656	1.0
165.01889	1.7
166.71660	0.9
173.46545	0.9
221.60750	1.1
276.49356	1.0
285.06134	100.0
286.06512	4.8
574.15894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19056	0.7
56.47203	0.7
59.01381	5.6
64.73080	0.7
69.22582	7.1
71.01369	2.0
73.02945	0.8
85.02928	1.1
89.28137	1.0
91.33929	0.8
96.96013	3.7
101.02415	0.9
107.08254	0.7
113.60555	0.8
121.02958	1.3
137.02393	1.4
138.03160	0.8
139.04025	1.5
145.12422	0.8
148.01648	3.2
149.02431	1.5
159.94066	0.8
161.02399	1.1
163.04036	5.7
173.06093	0.8
185.06102	0.9
189.09216	3.5
195.90085	0.9
201.09227	1.5
213.05634	0.8
238.06354	0.9
240.04309	1.0
265.12299	1.6
266.05786	1.0
269.04480	1.6
269.11752	1.2
277.04993	1.2
282.05402	1.6
283.06030	4.6
284.06778	1.3
293.11545	1.3
294.05246	1.7
295.06085	4.0
297.07715	7.8
302.62082	0.8
309.07629	8.5
309.11301	3.7
315.08707	4.7
321.11444	4.6
337.07608	0.9
337.10883	8.9
338.11563	10.6
339.11932	1.0
352.13092	16.1
353.13901	100.0
354.14282	6.9
357.09683	1.2
463.74417	0.8
483.58459	0.9
557.20258	14.5
558.20624	1.5
568.11273	0.9
591.53082	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	601.135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	4.6
69.50627	3.2
75.66303	0.5
80.02670	1.4
108.02171	36.2
109.02998	0.8
112.98595	0.5
123.04523	100.0
124.04855	1.9
167.03496	0.6
211.04030	1.5
213.01857	0.8
214.06267	0.6
223.03978	2.1
225.05574	0.9
226.02721	6.4
229.01529	0.8
229.08673	1.0
241.05045	6.8
269.04459	3.6
273.07648	10.1
295.02484	2.4
299.05710	2.1
301.07132	3.8
317.06693	0.6
318.70413	0.7
327.05096	4.1
391.08124	1.4
419.07678	13.4
420.08206	1.4
451.10315	49.8
452.10812	3.9
550.88715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91062	0.5
61.98825	4.0
65.03957	0.5
69.83865	1.1
69.84275	1.6
71.01363	1.1
85.02938	0.8
93.03451	45.6
94.03770	0.8
99.00903	0.6
106.24175	0.4
137.02435	100.0
138.02774	1.9
166.89836	0.5
213.99718	0.5
217.68024	0.5
284.49454	0.5
299.07684	19.5
390.60016	0.5
503.64063	0.5
582.39740	0.5
590.62714	0.5
622.98547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12151	1.7
59.01379	2.9
61.98827	100.0
69.23072	6.2
69.23500	6.7
97.26448	1.5
98.20599	2.3
129.17339	1.8
280.72162	1.5
538.36920	1.9
608.54169	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	601.027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
70.87464	0.8
70.87798	1.4
115.02521	7.8
117.00449	5.9
120.54845	0.7
132.98242	0.9
132.99142	0.8
134.97107	0.7
156.99939	1.3
157.03618	2.7
159.01483	74.2
160.01566	3.2
174.99243	16.5
175.00699	1.1
176.98083	27.8
177.98314	1.5
192.69501	0.7
200.61436	0.6
201.00664	1.3
201.02533	25.6
217.00285	47.0
218.00749	1.0
232.98305	0.9
238.95183	0.6
241.00508	0.7
259.01569	3.4
274.99396	4.0
283.01547	0.7
301.02634	61.3
302.02692	4.6
313.59567	0.7
317.00391	38.1
318.00641	2.1
332.98553	1.8
359.01428	21.2
360.01962	1.0
374.99472	1.6
389.80600	0.7
417.00476	0.9
459.01553	16.3
460.01846	2.0
498.99503	1.7
541.00543	43.7
542.00684	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	599.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	0.3
59.04268	0.1
61.55331	0.1
67.22401	0.1
69.32178	1.2
78.95884	0.2
79.95735	2.8
96.96004	100.0
97.95963	0.2
98.20592	0.3
105.16044	0.1
114.93384	0.2
142.45924	0.1
179.32751	0.1
202.77618	0.1
209.04509	0.2
253.05066	2.3
357.09592	0.2
358.10120	0.5
359.10431	0.4
387.10809	0.4
388.11295	0.5
389.11322	0.3
479.14539	0.2
489.56879	0.1
542.82190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.7
57.03443	1.9
58.00596	1.4
59.01376	60.9
71.01376	14.4
72.99316	1.9
73.02943	0.7
75.00865	6.1
85.02937	3.8
89.02435	12.1
95.01368	0.7
95.05000	0.5
99.04515	7.9
101.02432	8.0
109.06570	0.8
113.02436	4.0
119.03497	3.4
122.04572	0.5
129.01942	2.6
147.02957	2.6
165.04065	7.4
165.05388	0.7
165.12813	3.8
179.05579	0.5
183.50920	0.5
189.12840	1.2
197.31712	0.5
207.13884	10.5
208.14084	0.6
209.11815	26.4
210.12164	0.8
215.54021	0.5
225.14943	12.4
226.15291	0.7
227.12839	0.8
234.34447	0.5
251.12869	8.5
269.13895	45.3
270.14291	1.8
287.14951	1.3
297.16473	0.5
327.05057	2.4
368.12332	0.5
404.41641	0.5
417.17535	1.3
431.19330	1.0
447.09351	2.7
449.20227	66.1
450.20602	4.1
579.22815	1.0
597.23950	100.0
598.24353	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	597.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01379	2.8
61.82828	0.3
61.98830	4.8
69.19109	1.6
69.19531	1.0
71.01382	1.2
72.99300	0.3
73.02950	0.8
75.00848	1.8
81.03447	11.1
83.01357	0.4
83.05019	37.5
84.05354	0.5
85.02946	0.4
89.02450	0.6
96.95998	1.7
100.07674	4.8
101.02440	0.8
107.06164	0.3
108.04549	0.3
111.09261	0.3
113.02436	0.4
119.03507	0.4
123.04494	0.5
125.07153	0.2
125.91609	0.3
126.05602	1.1
143.32275	0.3
149.04565	0.3
152.51611	0.2
161.04456	0.3
176.57191	0.3
182.15607	0.3
199.18141	5.8
200.18739	0.3
207.15077	0.4
224.17607	0.9
225.16057	7.4
227.51285	0.3
230.51015	0.3
243.17101	19.0
244.17474	0.6
269.15009	1.1
300.06161	0.3
303.21628	0.7
309.21765	0.9
327.05487	0.4
353.20782	7.2
354.21133	0.4
451.32748	2.1
458.92615	0.3
465.27063	2.4
469.33890	13.6
470.34299	1.1
495.31897	0.4
509.77136	0.3
553.40125	0.3
579.37628	3.2
597.38684	100.0
598.38953	11.4
609.30011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.2
59.01379	11.5
61.98816	1.2
71.01366	5.2
72.99327	1.2
73.02946	2.8
76.41116	1.0
81.05801	1.1
81.27470	1.1
83.01371	1.2
85.02958	1.9
87.00872	8.8
93.03455	1.9
99.00916	3.7
100.01689	3.1
101.02466	1.9
109.02997	1.8
111.00856	6.6
112.98858	2.0
116.16433	1.1
121.02982	3.7
122.03734	9.9
123.00917	4.1
133.02975	2.8
137.02432	1.6
142.99904	3.2
146.03786	2.3
149.02435	16.0
150.03220	79.5
151.00471	1.2
151.03835	3.3
161.02458	2.3
163.04021	2.0
164.04770	7.7
165.05556	100.0
166.02866	2.4
166.05978	2.3
173.00943	5.0
173.02406	1.1
174.01733	3.9
176.04846	3.3
179.03532	2.7
179.07143	9.9
180.04265	7.2
181.05013	5.6
191.03532	4.0
191.07095	1.8
193.05132	1.2
193.08804	1.8
194.05879	2.8
195.06610	53.9
196.07056	1.3
205.05130	2.4
206.05852	2.1
209.08218	3.7
219.03174	1.8
221.08220	2.7
237.07870	1.1
247.02518	3.2
247.06116	1.3
249.07829	3.4
261.04080	2.0
262.04858	5.7
264.06482	2.3
265.07239	4.5
276.06586	2.1
277.07162	9.3
278.47858	1.0
295.08429	1.6
312.35568	1.1
316.08167	8.9
327.08380	1.2
327.12537	4.0
337.09259	22.9
342.06271	1.8
354.07227	2.7
355.07101	2.8
356.07745	1.5
357.08206	1.9
373.08264	1.1
375.14490	6.9
385.08325	1.4
386.08624	1.5
387.00424	1.1
387.09015	1.3
436.12653	3.9
461.14423	14.8
473.14996	1.7
521.16614	2.4
533.16840	1.7
579.17102	9.9
596.15680	1.5
597.17975	90.8
598.15900	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	597.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64199	1.0
57.03427	1.7
59.01366	3.0
61.98813	1.4
68.99810	1.2
69.03468	1.1
69.64858	5.7
71.01363	3.3
81.03461	7.8
82.75491	0.9
83.01371	5.4
85.02940	1.8
93.03451	5.0
95.01353	1.5
95.05011	4.1
95.57188	0.9
96.05449	0.9
96.96001	2.3
97.02926	3.9
98.20588	1.1
99.04504	2.0
99.55128	0.9
107.05015	1.6
109.02934	3.1
111.04509	2.4
113.02416	1.8
119.05022	7.8
121.02945	3.6
121.06576	1.7
123.04510	15.6
123.40829	1.0
125.02446	11.3
135.04497	4.3
137.02478	5.4
137.06104	7.4
139.04008	6.3
147.04494	3.0
149.02344	1.4
149.06013	1.8
151.03992	3.3
153.05531	1.5
163.03946	3.8
164.04794	1.7
165.01845	2.7
165.05554	7.1
166.02704	1.7
167.03477	27.1
177.05544	2.3
179.03477	6.8
179.07133	1.6
181.05077	2.2
189.05533	6.4
191.03502	2.2
193.05043	4.6
197.04532	5.4
205.04993	2.4
207.06529	2.2
209.02751	1.6
209.04552	25.0
216.52974	1.1
219.06462	1.2
221.04509	4.3
223.06107	1.2
229.08673	1.3
233.04474	2.1
235.06108	1.6
236.62224	1.1
239.05641	9.2
251.05611	2.7
263.05643	1.7
269.06543	1.5
270.21176	0.9
273.07648	3.7
275.41605	1.1
281.06564	1.5
283.62640	1.0
285.04443	0.9
285.07782	1.6
287.09451	1.3
299.09366	1.1
315.08755	18.2
327.08640	7.0
341.10013	1.3
345.09818	6.9
357.09756	100.0
358.09976	6.0
369.09824	4.7
387.10828	73.8
388.11243	5.0
399.10858	3.6
417.11920	21.8
429.12036	1.7
441.12061	1.4
459.12946	10.0
460.12897	1.1
477.13983	26.9
478.13986	2.1
489.14267	6.6
507.14850	3.4
570.63898	1.1
579.15997	2.0
597.17590	14.2
597.32990	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	597.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39729	0.8
55.01855	1.0
59.01371	2.7
61.98825	2.0
64.66336	1.0
66.93077	0.8
69.03432	1.3
70.89450	1.0
71.01372	6.7
72.56941	1.0
73.02952	4.3
83.01386	2.6
85.02956	4.1
87.00874	21.8
88.04019	1.9
93.03459	2.5
95.01414	1.1
97.02954	1.4
99.00875	3.8
100.01666	1.7
101.02448	3.1
109.02885	0.9
111.00879	13.8
112.98795	3.6
113.02430	1.6
119.05022	1.7
121.02937	2.8
122.03738	8.3
123.00893	5.3
123.04502	1.7
125.02451	1.6
127.04001	1.3
129.01920	1.1
131.03494	1.5
132.03030	2.8
133.02959	1.6
135.04532	1.9
136.01672	2.5
137.02383	1.1
142.99855	2.6
145.01463	1.1
147.04556	1.4
149.02446	17.9
150.03220	78.5
151.04041	5.6
153.01953	0.9
161.02425	2.9
163.04034	2.6
164.04784	11.1
165.05560	88.9
166.02719	4.0
166.05923	2.5
167.03529	1.7
173.00877	5.1
174.01675	2.6
175.04034	2.1
176.04793	3.1
177.05479	1.1
178.06277	3.1
179.01938	1.3
179.03450	6.6
179.07149	6.4
180.04315	6.7
181.05051	5.9
183.02956	1.0
188.04700	1.1
189.05457	1.0
191.03529	4.9
191.07092	3.1
192.04152	1.3
193.08682	1.9
194.05817	6.0
195.06615	34.2
203.03477	2.0
205.05038	2.6
206.05782	3.7
207.06514	1.9
209.08212	5.6
219.02995	2.4
219.06766	1.2
221.08186	3.9
222.05278	1.8
231.02901	0.9
234.05257	2.1
235.06088	1.5
247.02594	2.4
247.06068	1.1
249.04005	2.3
249.07593	3.1
250.07228	2.0
261.04010	2.7
261.07724	1.2
262.04877	6.1
264.06390	4.7
265.07156	4.3
266.07944	1.2
276.06378	3.1
277.07080	8.1
291.08649	1.5
303.09216	0.9
322.07001	2.0
337.09265	27.2
354.11002	1.6
367.58179	0.9
369.13528	5.3
413.12332	3.6
414.11972	1.0
425.12329	1.3
443.13422	1.6
449.73770	1.0
461.14520	26.3
462.14957	2.0
473.14380	2.9
485.14413	1.8
503.15482	1.7
507.09729	1.1
521.16797	2.8
533.16675	9.4
579.17078	19.1
580.17773	2.1
597.18213	100.0
598.18536	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	595.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88710	1.0
61.69512	0.9
61.98805	1.3
71.55380	1.5
78.95898	57.8
80.18027	1.1
82.61155	1.3
85.58673	1.1
96.96953	12.4
98.95562	2.5
102.77720	1.0
152.99571	54.8
167.14433	1.1
183.13855	1.3
199.13228	0.9
207.01210	1.0
223.00024	1.6
229.14339	1.7
241.01170	27.9
275.94055	1.0
279.23267	58.1
280.23560	3.1
292.83481	1.0
315.04794	7.6
326.87219	1.0
397.72324	1.0
415.22372	5.6
500.52139	1.1
592.73151	0.9
595.28870	100.0
595.37006	3.8
596.14691	1.4
596.29376	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	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01374	2.9
60.60702	0.7
60.62385	0.7
61.98811	2.1
62.29170	0.8
69.03424	1.0
70.31448	3.1
71.01374	4.0
72.99298	1.6
73.02931	1.6
73.72939	0.7
81.03458	1.2
83.01393	4.0
85.02942	3.0
87.00874	24.2
89.02435	1.3
89.94554	0.7
93.03438	2.6
95.01391	0.8
96.95987	5.0
97.02947	1.6
99.00879	3.3
99.44013	0.8
100.01666	2.1
101.02435	2.5
106.40575	0.8
109.02940	2.9
111.00882	27.5
111.01663	1.4
112.98808	2.7
113.02417	2.1
115.00347	1.1
119.05014	3.3
121.02949	4.6
122.03730	7.7
123.00906	1.0
123.04491	2.6
125.02454	1.1
129.01956	1.6
131.03485	2.5
131.07137	0.9
132.02194	0.7
133.02965	2.2
135.04565	1.0
136.01634	0.8
137.02480	1.9
138.03241	0.8
142.99965	1.2
147.03008	2.0
147.04472	1.0
149.02432	18.0
150.03224	64.3
151.00391	1.4
151.04033	8.1
153.01846	1.2
153.05554	2.4
161.02437	3.2
162.03165	0.9
163.04037	4.3
164.04791	9.3
165.05566	66.5
166.02687	3.3
166.05913	1.9
167.03513	0.9
173.00993	1.9
174.01726	4.0
175.02457	0.9
175.04012	1.0
176.04761	2.2
177.01935	1.0
179.03499	5.1
179.07135	8.9
180.04277	6.7
181.05064	6.0
183.86139	0.7
189.01819	1.1
190.02759	1.3
191.01956	1.5
191.03528	1.6
191.07094	2.2
193.05043	1.2
193.08775	1.6
194.05843	4.4
195.06621	22.8
203.03505	1.1
205.05074	2.6
206.05859	0.9
207.02966	1.2
207.06500	0.9
209.08139	5.8
219.02931	1.2
219.06700	1.6
221.08131	1.6
222.05376	1.1
225.04141	0.9
229.08829	0.9
231.03098	1.1
234.05353	1.9
237.07614	1.4
246.05209	0.9
247.06099	2.5
249.04039	2.1
249.07661	4.3
250.04753	1.1
255.06734	0.9
264.06351	11.0
265.07162	5.9
277.07230	1.1
279.08856	1.0
291.08698	1.0
293.12411	2.0
321.09802	1.2
325.09793	0.9
337.09317	8.6
345.13492	1.1
353.06271	0.8
357.13330	1.1
385.12665	1.0
413.12405	4.4
461.14499	36.8
462.14886	3.0
473.14322	1.0
478.11102	1.0
487.16055	2.7
505.17136	1.2
521.16620	4.0
531.88934	0.8
579.17065	9.5
580.16199	1.1
597.18170	100.0
598.18335	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	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01375	0.8
60.44790	0.4
62.96390	0.5
69.35873	3.9
78.95898	60.5
92.27573	0.4
96.96954	10.7
102.33862	0.4
125.53866	0.5
150.97946	1.1
152.99574	84.9
153.99925	0.9
154.58809	0.5
171.00620	1.8
223.00093	9.0
241.01175	21.9
252.67282	0.4
259.02155	1.4
261.22171	0.5
279.23260	59.7
280.23666	3.0
312.90546	0.5
315.04822	12.3
330.74078	0.4
333.06027	0.8
356.44083	0.5
536.94958	0.5
595.28821	100.0
596.29260	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	595.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.98823	1.0
71.01378	2.4
73.02924	1.0
85.02984	0.8
85.89890	0.5
93.03455	42.5
94.03841	0.7
96.96011	5.5
101.02437	0.9
107.01311	0.5
113.02420	0.9
115.00345	0.8
116.92815	0.7
117.03446	1.8
119.05010	2.7
121.02919	0.6
122.03770	0.9
123.04520	1.5
125.02389	0.7
127.05099	2.8
133.01433	1.7
135.04538	1.3
137.02438	100.0
138.02779	2.0
145.02989	0.9
149.02370	0.9
152.07166	1.3
161.02402	0.9
161.04605	0.7
163.04008	0.8
167.03545	0.9
175.02469	0.6
175.04010	0.5
177.01857	0.6
179.03456	0.9
193.01404	0.8
199.07542	0.7
203.03464	0.9
209.04329	0.6
221.04489	0.7
235.02444	0.9
263.10223	0.6
271.06042	0.7
295.06152	1.1
295.13016	7.4
297.07764	2.7
298.07913	2.3
299.07761	17.1
311.05527	0.6
313.06805	1.5
325.06870	2.0
326.07486	1.1
327.07861	1.8
353.06662	5.1
354.06949	4.9
355.07523	11.2
367.07498	1.3
383.07571	2.3
384.07999	2.1
385.08762	8.2
397.08984	1.3
415.09741	2.1
433.11212	1.6
457.11194	0.6
473.10913	0.6
475.11874	4.0
487.12161	0.6
505.12634	1.8
595.15771	49.5
596.16156	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	595.1666
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
59.01400	0.7
65.38942	0.7
66.73435	0.7
68.99809	1.2
69.65971	1.4
69.66379	2.8
71.01375	1.3
79.01879	1.6
81.03436	1.7
83.01380	2.9
87.67697	0.8
93.03441	5.5
94.89095	0.7
95.01367	2.0
95.05013	1.0
96.96027	1.3
97.02939	3.2
98.20625	1.3
107.01397	5.2
107.04995	1.3
109.02944	2.7
111.04517	1.1
113.02431	1.2
117.03434	2.3
119.05026	31.6
121.02934	3.0
123.00901	1.7
123.04503	2.8
125.02472	5.8
131.05040	0.9
133.02940	1.1
135.04526	2.2
137.02432	5.5
137.03355	0.8
139.04034	5.6
143.05029	4.0
145.02956	4.9
145.71535	0.7
147.04512	2.7
148.42975	0.8
149.02425	3.9
149.06035	0.8
150.03227	1.2
151.00345	4.7
151.03928	1.8
159.04530	1.0
161.02405	1.3
161.06067	2.4
162.70172	0.7
163.00368	2.8
163.04015	3.5
165.01936	5.5
165.05551	1.2
167.03479	8.7
175.03996	1.2
177.01906	4.0
178.02678	0.8
179.03401	2.1
187.03992	6.0
189.05649	0.8
190.02660	0.7
191.03499	2.8
192.00552	1.1
193.01414	9.1
193.04984	1.1
197.04556	2.8
199.07654	1.8
205.01396	6.0
205.05025	1.2
207.02966	3.4
209.04526	2.9
217.05113	0.8
219.02960	2.9
221.04518	1.3
223.02510	2.4
227.07118	2.6
233.04497	1.3
235.02452	12.6
239.05518	2.1
241.05072	1.0
241.08688	1.0
247.02359	1.4
249.03949	2.4
261.04172	0.9
265.03433	4.2
265.08640	1.4
271.06146	4.3
283.06049	1.6
297.07498	2.3
299.08435	1.3
302.02151	0.9
313.07144	16.6
314.07373	1.2
325.07138	6.2
326.07419	1.0
337.07056	0.8
341.09790	1.0
343.08258	5.9
353.06470	2.6
354.06921	1.1
355.08179	75.4
356.08600	4.4
367.08157	2.5
369.09656	0.9
384.07788	1.0
385.09235	52.4
386.09537	4.7
397.09015	2.7
415.10321	17.2
416.10596	0.9
427.10632	0.8
457.11481	8.3
474.10635	0.9
475.12445	29.3
476.12634	1.6
487.12347	4.0
505.13605	9.4
506.13217	0.9
577.15717	4.8
595.16492	100.0
596.16833	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	594.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.9
61.98822	3.4
71.01395	0.6
71.58492	0.9
78.95902	9.8
80.96511	1.1
89.65631	0.6
98.31600	0.7
108.99191	0.6
109.62489	0.7
112.12761	0.6
113.09719	2.4
152.99590	2.9
153.10605	0.6
168.04250	1.7
179.14444	1.8
195.13895	20.7
224.06982	0.8
233.31779	0.8
242.07994	4.5
277.21689	17.8
278.22073	1.4
288.91235	0.6
293.12036	0.7
295.22760	100.0
296.23120	5.5
399.41711	0.6
449.23080	2.4
520.30414	88.4
521.30756	9.1
576.13733	0.8
594.15173	2.0
594.26788	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	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35319	0.4
59.01374	1.0
71.01379	0.5
71.55657	0.8
78.95901	65.4
87.27477	0.4
89.40120	0.4
96.96960	13.3
96.97590	0.7
114.23498	0.5
127.07582	0.4
150.97972	0.7
152.99577	53.1
163.22990	0.4
171.00677	0.8
209.04616	0.5
223.00139	1.7
233.22913	0.4
241.01164	28.5
242.01581	0.5
259.02170	0.8
277.21698	48.2
278.21970	2.4
292.24680	0.4
297.07523	1.0
315.04840	9.4
353.06610	1.3
383.07742	1.2
394.11102	0.4
413.21014	6.2
519.16425	0.5
522.27966	0.5
575.14185	0.8
593.16284	3.4
593.27277	100.0
594.27637	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	593.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03448	3.8
59.01379	100.0
63.55399	1.4
70.43177	4.6
71.01375	11.5
83.01390	3.4
85.02946	8.9
95.01392	1.5
99.00887	1.8
101.02438	7.3
105.01962	1.4
113.02448	6.6
119.93769	1.4
119.94724	1.7
128.15646	1.6
139.83092	1.4
161.04546	2.7
213.18532	3.2
299.25702	2.5
345.30133	6.6
348.67395	1.6
394.80453	1.7
489.34305	76.9
490.34586	8.7
507.35345	32.7
508.35794	3.2
549.36395	7.8
550.37030	1.9
615.77917	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	593.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
70.48067	1.5
78.95901	57.0
96.96958	10.8
98.19954	0.6
102.31444	0.5
105.86457	0.4
146.81860	0.4
150.97995	0.7
151.85770	0.4
152.99579	84.4
153.99937	0.9
171.00621	2.4
182.27621	0.5
196.91310	0.5
196.93201	0.5
216.17955	0.5
223.00107	9.1
241.01173	21.3
252.70744	0.5
259.02197	1.4
259.20529	0.5
261.02063	0.5
277.21701	44.5
278.22046	2.3
315.04858	15.3
316.05124	0.7
333.05585	0.5
367.57632	0.5
593.27283	100.0
594.27563	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	593.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01380	6.5
61.98830	1.7
71.01381	4.2
71.58463	0.3
71.58915	0.4
72.80327	0.3
72.99305	0.5
73.02957	1.3
75.00865	0.5
75.53739	0.4
83.01385	0.8
85.02959	1.4
87.00880	0.7
88.98802	1.0
89.02440	0.9
91.01899	0.9
93.03456	1.4
95.01337	0.4
96.96011	1.0
99.00901	0.5
101.02457	1.5
109.02941	0.5
113.02448	1.3
117.03442	1.2
119.01380	4.0
121.02950	2.3
123.04539	0.3
123.08165	1.2
133.02936	0.6
134.03734	1.2
135.04547	2.4
137.02446	0.6
137.09686	0.4
142.77872	0.3
147.00891	5.2
147.04398	0.3
149.02431	7.4
150.03180	1.1
151.03999	0.5
152.01141	1.1
161.02402	0.6
161.04594	0.3
162.03197	0.5
163.04013	2.9
163.11279	1.2
164.04787	7.5
165.01930	1.2
165.05392	0.4
169.05101	0.4
175.00356	22.5
176.00798	1.1
177.01923	0.7
179.07106	1.6
189.01917	1.1
189.12894	1.8
190.02705	63.3
191.03117	2.2
192.04289	0.4
193.01413	0.5
194.02209	0.5
205.05042	64.3
206.05408	1.9
207.03040	0.7
207.06531	0.5
207.13899	0.6
208.03766	1.4
209.04500	1.8
223.06108	6.9
251.05524	0.8
282.05234	0.4
283.06204	1.0
295.05945	0.4
297.07748	1.9
311.05478	0.5
323.05411	0.8
325.07095	0.8
328.05783	0.3
337.07144	0.6
339.05005	0.5
351.04993	0.5
353.06677	3.9
354.06757	0.6
369.05908	0.6
383.07651	2.0
389.25473	1.0
399.07144	0.4
473.10840	1.1
489.10361	0.5
503.11856	0.5
533.33362	0.5
563.20972	1.2
575.13855	4.0
576.14099	0.4
578.23645	1.6
593.15649	7.2
593.25922	100.0
594.16803	0.6
594.26227	8.6
594.35760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
57.03438	0.6
58.00609	0.3
59.01377	5.6
61.98812	0.4
68.04050	0.1
69.26872	0.3
69.27221	1.5
71.01382	5.9
72.99291	0.4
73.02949	1.1
78.93330	0.1
83.01383	0.6
85.02950	1.4
87.00884	0.5
88.98820	0.3
89.02441	3.0
95.01363	0.5
96.96011	0.3
97.02950	0.3
98.20667	0.3
99.00870	0.5
101.02436	5.4
113.02440	2.6
117.03451	0.2
119.03499	1.2
125.02444	0.4
131.03491	0.7
134.03732	0.6
135.04510	0.2
143.03503	1.4
149.06062	0.4
159.02931	0.2
161.04536	1.9
175.00304	0.2
177.14880	0.2
179.05617	0.5
190.02699	0.4
195.04530	0.3
205.05061	0.3
211.03981	12.8
212.04332	0.5
221.06618	2.2
221.61635	0.1
228.91183	0.2
239.03474	50.6
240.03822	2.3
253.40492	0.2
254.05820	66.1
255.06165	2.8
269.08163	100.0
270.05566	0.3
270.08517	4.8
280.24185	0.1
282.05447	0.2
283.06100	0.5
285.07672	0.4
295.06198	0.2
297.07669	0.7
311.05573	0.6
323.05762	0.3
323.09781	0.7
325.07086	0.3
353.06647	1.3
369.06155	0.3
383.07788	0.5
383.68396	0.2
389.25082	0.3
399.07251	0.2
473.10846	0.5
489.09973	0.2
526.66205	0.2
533.33490	0.3
575.14105	1.2
593.18713	4.5
593.27216	0.2
593.34961	0.6
594.17963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
57.32300	0.1
58.00573	0.2
59.01379	2.2
61.98831	0.3
63.02396	1.4
65.00317	2.1
68.99774	0.1
69.38988	1.1
71.01382	2.0
72.99287	0.3
73.02945	0.5
75.00868	0.9
83.01380	2.9
85.02950	1.2
87.00878	0.4
89.02438	0.7
95.01387	0.4
96.95996	0.4
98.20623	0.2
99.00874	0.4
99.04547	0.1
99.98848	0.1
101.02457	1.0
107.01386	3.8
108.02158	0.2
113.02428	1.3
115.05496	0.2
117.03503	0.2
119.03468	0.2
123.00921	0.3
125.02428	0.5
125.63480	0.1
130.04205	0.1
133.02960	0.4
136.01637	0.4
141.07100	0.4
143.05026	0.2
143.49719	0.1
145.06581	3.3
151.00362	6.2
160.01721	0.2
164.01169	1.0
167.08690	0.2
169.06573	1.8
171.04514	3.2
172.05281	0.8
175.02399	0.2
177.02039	0.2
179.05621	0.2
183.08090	0.6
185.06070	0.7
187.07640	1.5
190.02644	0.2
191.58853	0.1
193.06587	0.3
196.00185	0.1
205.05106	0.2
209.11722	0.2
211.07649	2.8
213.05568	5.4
214.05849	0.3
227.07109	0.4
227.12944	0.2
248.47498	0.1
255.06610	100.0
256.06949	4.8
269.13913	0.4
281.50943	0.1
283.06198	0.2
297.07684	0.4
311.05670	0.2
323.05490	0.2
325.06992	0.2
329.06741	0.2
337.07651	1.4
351.04922	0.2
353.06512	0.6
365.06561	0.2
369.06082	0.2
383.07727	0.3
389.25357	0.4
431.26593	0.2
473.10858	0.3
489.10205	0.4
533.33575	0.1
549.29358	0.2
557.12524	0.2
575.13922	1.3
578.51086	0.1
593.15070	6.9
593.24554	0.5
593.35120	0.5
594.15302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12540	1.7
71.01357	0.4
79.01893	0.7
93.03442	1.3
117.03462	4.3
119.05043	0.9
131.05115	0.4
131.09029	0.4
133.06519	0.4
135.04517	1.8
147.04469	0.9
149.02472	0.5
149.06088	0.4
159.04565	0.6
161.02423	1.7
163.04007	1.5
173.06087	0.6
175.04063	1.0
177.01877	0.6
177.05554	1.2
179.03560	0.5
189.01857	1.1
191.03500	1.2
203.03459	1.4
205.05193	0.5
217.05081	0.6
221.04477	0.7
233.04636	0.8
237.05426	0.5
238.06200	0.7
245.04488	0.6
253.08591	1.0
267.06537	0.8
268.07385	1.1
279.06491	0.6
281.04581	1.0
282.05362	1.5
283.06155	3.1
295.06042	4.3
296.06766	2.4
297.07648	18.9
298.07928	1.1
307.06052	2.0
309.07617	2.1
311.05475	2.7
323.05627	3.2
324.06229	0.7
325.07144	7.8
328.05862	3.2
335.05585	1.9
337.07153	2.4
341.06693	0.5
353.06631	38.3
354.06927	2.7
355.08151	1.0
356.05261	1.1
365.06592	4.6
367.08328	0.5
381.06158	0.5
383.07669	23.2
384.08069	1.9
395.07666	2.6
397.09482	0.8
413.08862	3.0
425.08533	0.9
455.09882	0.9
473.10797	12.2
474.11508	0.8
503.11990	3.1
575.14191	1.0
593.15063	100.0
594.15314	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	593.1506
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
50.70861	0.6
56.36866	0.6
69.56779	3.1
69.57202	1.6
77.68399	0.7
77.96273	0.7
81.69875	0.6
86.35767	0.7
89.13305	0.9
93.03461	0.8
117.03456	3.7
117.38246	0.6
119.05022	1.4
129.45872	0.8
135.04517	1.7
145.02911	1.0
149.02480	0.7
149.83041	0.7
161.02376	1.8
165.01955	0.9
175.04033	1.6
177.01865	1.4
179.03482	1.3
189.01889	1.6
191.03474	0.9
203.03479	1.3
205.01306	0.8
207.02995	2.4
231.02971	1.1
249.04182	1.4
251.07268	1.0
266.27112	0.8
280.99130	0.7
281.04501	1.1
282.05304	1.7
283.06088	7.9
284.06583	0.7
287.37772	0.7
294.05188	0.7
295.06039	6.4
296.06744	1.8
297.07629	12.7
299.04935	0.6
307.06055	3.7
309.03857	1.0
309.07697	1.9
311.05591	9.0
322.04752	1.1
323.05594	8.2
324.06210	1.2
325.07175	5.0
328.06018	1.9
335.05615	1.7
337.07153	1.8
339.04962	1.9
341.06613	2.7
351.05109	7.8
353.06628	28.9
354.06894	1.9
356.05161	0.9
363.05157	1.1
365.06491	2.6
367.04538	1.8
369.06088	18.3
370.06644	1.0
381.06158	3.3
383.07669	11.0
395.07535	1.0
399.07239	8.0
411.07233	1.6
431.09744	2.0
437.08237	1.5
443.09451	0.9
449.08997	0.8
455.09732	2.9
471.09323	3.1
472.10364	1.6
473.10843	9.5
474.11288	0.8
487.08813	2.6
489.10327	20.6
490.10168	1.3
557.13287	2.3
575.14001	100.0
576.14362	10.5
593.14996	12.6
594.15576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	26.6
61.98828	5.4
66.40359	0.9
70.12115	1.0
71.01378	2.1
78.72568	0.9
78.95898	12.0
79.46882	0.9
96.96027	3.4
98.20652	2.4
152.99551	4.2
159.12170	1.0
168.04335	3.3
179.37724	1.0
181.12314	1.2
195.13901	11.6
196.14426	1.0
203.72169	1.0
205.12291	1.4
211.13358	2.3
223.13379	10.8
224.06783	1.6
228.13672	1.2
242.08018	5.2
256.12988	1.2
275.20105	8.0
277.84262	1.1
293.21210	93.3
294.21603	6.2
297.07480	1.9
307.22775	1.6
325.07391	1.2
353.06601	5.0
383.07520	2.0
421.11954	1.2
447.21344	3.9
518.28833	100.0
519.29120	8.5
532.30151	1.2
575.14075	3.0
592.32373	1.3
593.15204	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	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
67.32149	0.3
70.13408	0.9
70.13763	0.8
71.01373	1.1
79.01889	0.6
83.01393	0.4
87.46486	0.4
93.03453	1.5
98.19975	0.5
107.01373	0.4
117.03474	3.7
119.05028	0.8
135.04530	1.2
149.02425	0.8
154.77240	0.5
159.04456	0.6
161.02396	1.4
163.04001	1.3
173.02548	0.4
175.03961	0.8
177.02025	0.4
177.05574	0.9
191.03529	1.2
203.03499	1.5
204.72903	0.4
205.05008	0.4
208.25185	0.4
211.07664	0.5
227.95316	0.4
233.04585	0.8
239.07193	0.4
245.04466	0.7
248.43860	0.4
251.07047	0.5
268.07370	0.8
280.02750	0.4
281.04575	0.7
282.05453	1.9
283.06247	2.6
293.07941	0.4
295.06165	2.9
296.06720	2.1
297.07651	16.1
307.05945	1.6
309.07635	1.6
311.05573	3.0
323.05566	2.6
325.07175	7.5
328.05841	3.0
335.05493	1.7
337.07101	2.2
341.06302	0.5
351.04852	0.8
353.06625	37.9
354.07013	2.2
355.08273	1.0
356.05310	1.1
365.06650	4.2
381.06274	0.5
383.07687	25.3
384.07941	1.5
395.07733	3.3
413.08762	3.3
425.08804	1.4
455.09613	0.6
459.09207	0.4
473.10751	10.6
474.11157	0.7
503.11850	3.8
514.29138	0.4
575.13776	0.8
593.15063	100.0
594.15399	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	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.98827	100.0
66.49326	0.3
71.01379	0.7
71.55890	0.4
74.41120	0.2
80.96509	0.6
91.13715	0.3
96.96024	0.7
171.37915	0.3
353.06607	0.7
383.07925	0.3
416.41312	0.3
471.65781	0.3
491.92160	0.3
592.25342	0.3
592.38428	0.3
593.15533	1.5
593.26563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	2.1
59.01378	100.0
59.72980	1.6
71.01370	13.9
71.01678	1.3
71.02234	4.2
72.65928	1.9
73.02954	4.5
83.01373	7.8
85.02961	8.0
93.07080	4.3
101.02428	12.3
111.00883	1.9
113.02446	5.0
161.04587	5.4
195.75166	1.7
213.18565	3.1
234.94936	1.8
259.15091	2.1
307.64981	1.6
357.22870	4.3
375.23969	10.4
487.32727	64.9
488.33063	7.1
505.33862	27.5
506.33783	2.0
547.34778	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	591.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.6
59.01378	100.0
70.93819	1.6
70.94148	2.0
71.01377	18.1
72.99292	1.3
73.02953	5.0
82.95418	17.3
83.01375	5.4
85.02943	11.0
89.02439	5.2
93.07133	2.2
94.29546	1.3
95.01385	1.5
96.96012	3.4
101.02438	11.0
113.02455	9.8
113.03118	1.6
121.02940	4.0
143.03473	1.9
161.04533	5.9
193.05042	3.4
215.59335	1.4
311.13828	1.5
344.75250	1.4
357.22736	2.7
373.21271	1.3
375.23871	4.0
382.77478	1.6
390.94891	1.4
469.31354	1.6
487.32736	49.0
488.32825	3.8
505.33890	21.3
506.34186	2.0
547.35309	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
56.36197	0.8
57.03460	1.4
57.98392	1.0
59.01378	100.0
60.01721	0.9
60.97510	0.9
61.98826	1.4
69.49043	7.2
71.01381	15.0
73.02948	6.4
82.77234	1.0
82.95412	1.5
83.01398	4.9
85.02953	8.9
86.00115	1.3
87.00899	1.2
89.02437	1.4
93.07120	3.2
95.01383	2.2
98.20593	1.9
99.00881	2.6
101.02439	9.9
101.12577	0.9
112.68276	0.8
113.02437	8.9
122.02527	0.9
125.02446	2.6
139.66051	0.9
141.42538	1.0
143.03554	1.7
159.02994	1.1
161.04601	4.6
163.13165	0.9
213.18593	2.7
324.47617	0.8
343.28531	1.2
357.22855	3.5
375.23843	15.7
451.30701	1.1
469.31650	2.3
487.32770	48.1
488.33084	4.9
505.33807	19.0
506.33902	1.8
547.34723	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	591.2607
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.98807	0.3
61.99119	0.3
70.14073	0.7
70.14471	0.7
75.76730	0.3
79.46358	0.3
106.06618	0.6
116.04548	0.3
117.35963	0.3
125.75241	0.3
126.99899	0.3
130.77199	0.3
161.04709	0.4
219.71381	0.3
225.39066	0.3
282.58542	0.4
443.22833	2.2
444.19162	0.7
445.19266	1.7
446.24359	0.3
447.25101	0.3
455.22369	0.9
456.22861	0.9
457.20288	0.6
458.20694	0.7
459.21606	2.3
461.23376	0.5
471.21100	1.3
471.25723	2.3
472.18045	0.5
472.22934	1.1
473.23389	1.2
476.18799	0.4
482.21100	1.6
485.19739	1.9
487.25479	3.1
488.22647	0.5
489.22549	0.4
497.23553	3.3
498.23538	0.3
499.21262	3.8
500.22092	11.9
501.22406	1.1
503.20599	0.6
504.21313	0.6
513.22675	0.3
514.23737	0.8
515.24469	100.0
516.24738	10.1
518.23438	0.5
519.23987	0.7
519.97687	0.3
547.26941	0.7
559.23425	5.0
560.23499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
60.99298	0.5
69.25607	0.9
69.26016	3.1
71.01353	0.6
72.13142	0.4
88.98788	3.9
97.02961	0.5
101.02434	0.4
109.02940	1.6
133.02948	7.7
133.06570	0.5
134.03726	0.7
135.04547	0.6
149.02367	0.9
161.02338	0.6
165.01921	0.5
171.08287	0.5
175.03949	2.9
177.01901	1.4
187.04068	0.6
189.01932	0.8
191.03416	0.7
201.01888	1.2
203.03484	1.9
205.01292	0.6
207.02888	0.7
215.03502	0.7
219.02893	0.7
225.05696	0.5
231.03081	0.8
239.07033	0.6
241.04999	0.6
249.03996	1.4
253.05025	2.2
255.03098	0.6
255.06541	0.5
261.04062	0.7
265.04932	0.5
267.06595	0.7
269.04480	0.7
281.04486	0.5
283.06104	1.8
285.04138	1.0
295.06155	0.7
297.03931	2.9
298.04837	2.2
299.05539	5.5
309.03998	1.4
310.04700	1.3
311.05551	5.3
312.06329	1.9
313.03687	0.7
313.07062	4.5
323.05551	1.2
325.03571	0.8
325.07147	1.3
327.04974	5.0
338.04361	1.0
339.05045	15.1
340.05469	1.0
341.06607	4.0
343.04886	0.5
351.05011	0.7
353.06799	1.6
355.04489	1.6
357.06158	2.4
367.04520	8.8
369.06097	7.7
371.07736	1.4
379.04099	0.8
381.06265	0.6
383.03705	0.6
385.05576	15.0
386.05902	0.8
397.05524	4.9
399.06952	1.4
415.01083	0.5
415.06628	10.4
416.06674	0.6
427.06815	1.3
429.17664	0.6
457.07864	0.6
469.07922	0.5
487.08829	2.6
489.10425	2.0
505.09827	100.0
506.10135	6.8
583.51569	0.6
591.13397	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	589.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29770	0.3
55.50097	0.3
72.99297	1.5
75.00869	100.0
76.01195	0.4
86.78394	0.3
87.54985	0.3
116.29742	0.3
127.03906	0.3
131.78041	0.4
153.49475	0.3
168.35997	0.3
225.40262	0.3
244.05205	0.4
277.18701	0.4
277.21698	0.9
343.53973	0.3
533.82239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97276	2.0
59.01374	16.5
61.98827	49.0
71.01382	4.4
71.26395	3.7
82.43042	1.7
85.02929	2.4
89.02435	4.6
96.95976	3.0
101.02411	5.3
124.27976	1.9
171.10226	4.7
179.05550	2.5
195.13870	6.9
223.13469	4.6
253.09262	36.5
275.20248	10.4
280.54379	1.9
293.21228	100.0
293.71674	2.0
294.21475	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	587.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01611	1.7
59.01378	65.1
61.98819	7.5
63.39663	1.9
70.82751	1.8
71.01379	16.4
71.56412	2.0
73.02946	3.3
83.01397	2.2
85.02957	6.2
89.02447	7.0
95.01395	1.8
96.95978	3.9
101.02425	8.4
113.02451	6.3
118.96963	2.1
136.35670	1.7
175.02496	1.9
179.05765	2.1
194.08234	1.8
211.13362	3.3
310.17331	1.7
315.26910	5.8
327.26682	2.2
354.79617	1.9
359.25928	6.9
377.26837	12.5
389.26984	4.5
407.27969	6.2
467.30017	11.2
473.32047	1.9
485.30988	2.4
587.34338	100.0
588.34570	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	589.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48634	0.2
52.48806	0.2
55.01868	3.1
59.01374	4.4
61.98811	0.3
65.08849	0.2
71.01375	3.1
71.56847	0.4
72.99304	1.7
73.02949	0.8
75.00864	40.6
76.01230	0.2
76.66094	0.2
83.01393	0.3
85.02963	1.1
87.00841	0.6
88.98791	0.9
89.02451	1.3
90.76386	0.2
96.96007	1.7
99.00857	0.5
101.02454	1.3
103.00383	0.4
109.04401	0.2
111.00825	0.2
113.02441	1.1
117.01939	1.1
125.02416	0.3
129.01924	8.2
135.04514	0.7
147.02991	2.3
149.04506	0.6
151.78615	0.2
152.77748	0.2
161.04578	0.3
163.03993	7.9
165.04021	100.0
166.04401	1.3
171.83983	0.3
178.06319	7.4
179.06847	0.2
193.08669	13.5
194.09007	0.5
221.24702	0.2
233.02910	0.3
254.52666	0.2
258.60986	0.2
380.94638	0.2
455.22595	0.4
589.17224	1.3
589.25226	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	589.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08608	0.6
51.27751	0.6
54.57238	0.6
65.47759	0.6
68.51237	0.5
72.84704	0.5
72.99294	1.7
75.00871	100.0
78.95908	0.8
98.20752	1.0
117.12855	0.6
125.33807	0.6
230.04305	0.6
277.21799	1.2
278.68149	0.6
389.25232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03467	2.2
58.00576	1.1
59.01376	100.0
71.01377	28.8
71.16274	2.4
72.99314	1.4
73.02943	14.1
76.36705	1.0
77.81765	1.0
83.01379	5.1
85.02941	9.7
87.00903	1.3
89.02439	14.5
92.76199	1.0
95.01403	3.5
96.95991	1.3
101.02430	19.0
113.02441	25.5
119.03509	8.5
125.02390	1.1
131.03502	1.8
143.03542	2.9
161.04552	9.5
179.05644	4.8
221.82280	1.0
231.07446	1.0
236.41258	1.0
245.93471	1.1
321.11346	3.0
483.29541	26.7
483.35971	1.8
484.29968	1.7
501.30615	12.4
543.18634	4.4
543.31464	1.4
545.29358	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	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34513	1.1
59.01376	100.0
61.98816	4.6
65.89722	1.2
71.01376	18.6
71.56563	1.7
73.02945	8.6
83.01395	2.5
85.02947	5.7
87.00867	1.8
89.02446	10.4
93.60542	1.2
95.01370	1.8
96.95981	5.5
97.05666	1.2
99.00896	1.8
101.02454	10.9
113.02454	15.5
119.03464	2.8
123.80528	1.2
125.02383	1.3
125.46951	1.1
136.17720	1.1
143.03496	2.2
161.04555	5.3
179.05548	1.3
269.04492	1.3
283.06104	1.2
323.12701	1.5
352.09335	1.9
353.10114	1.5
367.12247	1.3
383.14871	5.0
483.29483	17.0
501.30518	10.3
522.10156	1.6
543.31537	2.6
587.21338	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	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06180	0.8
55.01874	1.0
57.03457	1.2
59.01377	100.0
61.98823	1.8
63.76463	0.8
69.03442	1.0
69.69646	4.8
71.01379	27.9
72.99304	1.3
73.02946	16.4
79.40559	0.8
81.03414	0.9
82.95412	3.1
83.01379	6.3
85.02949	9.0
87.00895	2.2
89.02438	16.0
93.75863	0.8
95.01387	2.1
96.95986	4.2
99.00873	2.8
101.02442	18.5
113.01709	1.6
113.02448	19.6
119.03503	5.8
125.02446	2.0
131.03467	1.9
141.01959	0.8
143.03491	2.5
149.04552	1.8
161.04579	9.2
179.05595	8.6
193.62593	0.9
239.03445	1.1
255.06554	1.4
321.11264	1.9
339.12357	2.5
365.10263	3.3
476.23438	13.1
476.73340	4.9
483.29608	17.0
484.30276	1.4
501.30774	7.2
543.31616	1.9
545.29541	2.1
587.31207	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	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81833	0.5
55.01884	0.7
55.57691	0.5
57.03442	1.3
58.00609	0.5
59.01377	100.0
61.98829	4.4
69.03452	0.6
70.84579	0.7
70.84943	1.6
71.01379	29.9
72.99334	1.6
73.02944	11.0
75.00869	0.7
83.01386	3.7
85.02953	9.0
87.00869	2.2
87.04527	1.8
88.98827	0.6
89.02442	13.9
93.03484	0.8
95.01405	3.3
96.96025	2.4
97.02937	0.7
97.06651	0.6
99.00897	2.1
101.02437	15.6
113.02449	24.9
119.03503	5.9
125.02473	1.5
129.32497	0.5
131.03542	1.5
133.03018	0.7
135.02985	0.9
137.02458	1.3
143.03522	2.5
149.04623	0.9
159.03082	0.5
161.04556	8.3
163.49013	0.5
179.05614	7.0
211.99559	0.5
221.08211	0.9
253.05321	0.7
254.05858	0.6
267.02692	0.6
269.08041	0.9
309.11325	6.5
339.12378	2.4
339.25415	0.9
365.10468	1.0
371.20651	0.8
401.16937	0.6
465.28412	1.1
483.29605	31.2
484.30231	1.9
501.30688	12.6
543.19080	1.2
543.31854	3.0
565.29901	0.6
587.22699	0.8
613.52991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.9
61.98829	5.5
70.02605	2.2
71.01376	8.1
71.55269	4.0
72.68916	2.2
73.75945	2.1
88.04037	73.9
88.04582	4.1
91.05518	3.2
96.96002	15.8
101.02413	3.1
107.74586	2.3
114.01962	7.0
115.00372	14.7
123.35941	2.5
125.22613	2.1
125.69997	2.5
132.03018	100.0
135.04526	9.3
174.01801	3.2
179.03386	3.0
206.08235	5.3
250.07176	97.0
250.09808	4.9
251.07784	2.6
260.21185	2.7
280.43796	2.4
302.60217	2.4
303.85892	2.6
365.82346	2.2
408.72546	2.8
473.09802	2.4
586.22198	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	587.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	40.1
61.98828	64.0
65.03979	2.4
71.01364	6.9
71.58131	4.1
73.02949	4.7
75.71437	1.9
84.25196	1.8
85.02943	3.5
89.02422	4.4
92.96375	1.7
96.96002	5.8
101.02423	4.2
108.02171	4.1
109.02936	3.4
113.02433	6.2
121.02934	4.7
123.04482	6.9
133.02930	7.0
135.04478	5.3
141.27057	1.9
145.02974	3.3
147.04471	4.7
148.06337	2.0
149.94493	1.7
153.01852	4.6
154.02208	1.9
161.04576	3.8
223.07678	2.8
225.09227	5.4
243.13960	1.8
251.07173	2.7
253.04947	2.2
254.05806	16.8
261.05737	2.0
267.06555	5.6
268.07327	6.5
269.08167	96.0
270.08517	3.8
321.11151	14.2
338.11639	2.3
339.12335	100.0
340.12674	7.4
353.10513	3.8
443.16562	1.8
483.29523	7.6
501.30600	3.2
524.85046	2.5
543.18799	11.7
544.18817	2.6
587.21051	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	586.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.9
61.98829	5.5
70.02605	2.2
71.01376	8.1
71.55269	4.0
72.68916	2.2
73.75945	2.1
88.04037	73.9
88.04582	4.1
91.05518	3.2
96.96002	15.8
101.02413	3.1
107.74586	2.3
114.01962	7.0
115.00372	14.7
123.35941	2.5
125.22613	2.1
125.69997	2.5
132.03018	100.0
135.04526	9.3
174.01801	3.2
179.03386	3.0
206.08235	5.3
250.07176	97.0
250.09808	4.9
251.07784	2.6
260.21185	2.7
280.43796	2.4
302.60217	2.4
303.85892	2.6
365.82346	2.2
408.72546	2.8
473.09802	2.4
586.22198	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	584.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
61.98827	100.0
69.32083	1.1
71.01383	1.2
72.99291	0.2
73.02946	0.5
73.47674	0.1
77.95771	0.1
79.95708	0.2
82.95418	0.2
83.01385	0.3
85.02956	0.7
87.00907	0.1
89.02453	0.4
93.03465	0.1
95.01392	0.2
96.96009	2.5
97.09119	0.1
99.00885	0.2
101.02442	0.6
113.02437	0.8
116.92865	0.4
119.03540	0.2
121.02985	0.3
125.02474	0.2
127.07690	0.2
137.02487	0.2
150.03236	0.2
165.05577	0.4
192.01434	0.1
195.06590	0.3
224.43956	0.1
283.06241	0.2
285.04431	0.2
311.05594	0.6
345.82645	0.1
381.87939	0.1
534.27258	0.2
537.21454	0.3
543.27484	0.2
546.28125	0.2
584.32910	0.2
585.15863	0.2
585.29407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82763	1.0
59.01379	20.3
61.29324	1.0
61.98830	1.6
62.69235	1.2
71.55349	1.4
71.55775	1.7
72.07485	1.1
78.95902	21.1
87.46967	1.2
96.96022	4.2
97.91752	1.1
111.71033	1.1
121.58248	1.0
152.99567	3.3
160.09074	1.0
168.04301	3.2
195.13774	1.1
196.79250	1.0
224.06900	7.4
283.26404	100.0
284.26862	6.2
466.45657	1.3
508.34064	85.3
509.34430	6.3
582.30328	3.2
582.39990	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	583.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01378	11.9
61.98828	7.2
69.21751	4.2
71.01376	4.5
73.02966	2.2
75.00863	0.7
83.01382	1.5
85.02939	2.4
89.02431	1.5
93.03456	1.6
95.01390	0.5
96.96006	9.4
97.02859	0.5
99.00898	0.9
101.02435	3.2
111.00865	0.5
113.02439	1.9
119.03455	0.8
121.02937	1.9
122.03745	5.0
123.04521	0.5
130.71239	0.4
133.02960	0.5
135.00923	0.4
136.01630	0.5
137.02374	0.5
145.02876	0.4
148.01651	1.0
149.02444	9.4
150.03217	28.6
151.00412	0.5
151.03880	0.6
152.01086	0.5
153.01874	0.6
161.04544	0.6
164.04781	1.6
165.05557	31.5
175.03979	0.6
177.05527	0.7
180.04256	1.5
189.01917	0.5
190.83156	0.4
195.06606	17.2
199.03995	0.5
200.04910	0.5
211.03996	1.0
212.04713	0.7
224.04698	0.4
227.03413	2.4
228.04350	0.4
239.03523	0.7
240.04259	1.0
255.02956	3.2
256.03693	1.9
267.02997	0.6
268.03677	2.1
268.07022	0.4
269.04477	0.8
270.05472	1.0
283.02475	3.5
283.06039	1.1
283.09433	0.8
284.03235	51.1
285.03458	1.9
285.07773	1.0
297.04013	1.6
298.04807	4.3
299.05585	100.0
300.05893	3.6
300.09692	0.8
301.07050	0.7
306.05206	0.9
309.07703	1.0
311.05655	0.5
311.09253	0.4
312.06244	0.9
313.07196	1.3
321.07690	1.7
323.05579	0.6
323.09131	1.1
324.09781	0.8
325.10794	0.6
326.04224	0.6
326.11551	0.9
327.08649	1.7
331.11844	0.9
339.08698	2.5
339.12268	0.6
341.02515	1.0
341.06628	14.1
341.10641	0.9
342.07086	0.9
342.11020	1.7
354.11093	1.1
357.13416	6.6
361.29831	1.2
365.06744	1.1
369.13412	6.9
383.07669	0.6
472.14801	0.6
487.17596	0.8
505.18536	1.9
507.65030	0.5
517.18860	0.9
522.33490	1.5
523.34753	11.3
535.19659	14.9
582.35516	2.0
583.21399	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	582.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.6
61.98826	10.1
80.52117	0.3
80.97388	0.4
86.00916	0.4
89.64434	0.3
93.03410	0.6
96.96003	1.7
103.86472	0.3
109.02948	6.3
113.02473	0.5
116.05055	0.4
121.02921	1.0
122.03722	6.1
123.04510	6.3
124.01619	1.0
135.04482	3.8
136.01706	0.4
137.02420	2.5
147.03366	0.7
147.04492	0.6
148.04024	0.6
149.06039	0.4
151.03885	0.3
153.01945	0.5
154.02687	2.4
160.04021	16.2
161.04494	0.8
162.05592	24.6
163.05963	0.7
174.05569	3.5
176.07147	0.7
186.05537	4.5
226.08655	0.7
239.07246	0.4
242.05774	1.5
245.74184	0.3
257.08212	0.8
263.05701	0.6
267.06516	1.3
268.09842	0.6
278.08218	1.4
280.06366	0.7
280.09573	0.5
281.06860	2.4
294.07632	0.7
295.08447	0.5
296.09238	74.2
297.09537	3.8
298.10657	0.7
306.70663	0.4
402.07913	0.4
420.14471	100.0
421.14822	7.0
462.11652	1.6
465.57806	0.4
492.12241	0.6
582.20624	7.3
583.19659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30786	0.3
59.01370	0.6
61.98825	5.1
71.01379	0.4
71.56189	0.3
81.36781	0.3
83.01421	0.3
96.96001	1.2
109.02955	4.7
121.02934	0.9
122.02900	0.6
122.03732	7.1
123.04520	6.1
124.01680	0.7
125.02448	0.5
127.79084	0.3
135.04529	2.8
137.02428	2.2
146.03670	0.4
147.03209	0.5
147.04492	0.6
148.04044	0.8
149.06064	0.3
151.03926	0.3
154.02713	1.5
160.04024	16.9
161.04527	0.5
162.05595	24.4
163.05927	0.7
173.04752	0.4
174.05560	2.7
176.06999	0.3
186.05574	3.5
209.04460	0.5
226.08733	0.5
242.05766	1.5
257.08160	1.6
267.06720	2.2
278.08203	1.2
280.06238	0.5
280.09702	0.7
281.06946	2.3
292.06317	0.3
294.07703	1.1
296.09244	75.3
297.09637	3.4
298.10797	0.8
337.30490	0.4
372.07645	0.7
420.14468	100.0
421.14859	8.1
421.20575	0.4
462.11758	1.1
492.11993	0.4
582.20721	6.4
583.19775	0.7
587.45386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29822	0.4
59.01383	0.8
61.98834	3.6
69.91255	1.1
69.91642	1.0
71.01378	0.7
83.01361	0.6
89.02443	0.6
93.03434	1.4
96.96006	2.5
101.02418	0.6
109.02968	0.5
117.03471	7.6
128.03545	0.9
135.04530	0.8
142.88477	0.4
156.27600	0.4
159.04547	0.7
161.02467	1.2
162.03209	0.8
164.89603	0.5
183.04524	0.5
185.02609	0.6
192.06595	1.0
197.06053	0.7
201.23891	0.5
202.60498	0.5
211.07651	0.9
212.04762	0.8
213.05592	1.4
216.06686	1.5
225.05415	0.9
227.03476	1.7
227.07095	0.9
228.04347	2.8
237.05460	0.8
240.04243	1.0
241.05035	3.9
242.05888	4.6
243.06377	0.6
252.04221	0.6
253.05028	0.5
254.05753	1.1
255.06627	3.2
256.09863	0.6
258.07611	0.9
265.04947	1.0
267.06653	0.6
268.03778	0.6
269.04556	1.5
270.05206	0.8
272.09222	1.7
281.04514	1.5
282.05267	3.4
283.06113	3.5
284.06610	0.5
295.06131	0.9
296.09525	0.7
300.08701	1.8
311.05569	1.6
312.08679	1.0
333.07306	0.6
345.07550	0.6
361.07034	0.7
362.07788	0.6
370.06372	0.7
371.07050	0.6
372.07156	0.8
373.07217	0.8
387.08664	1.4
388.05927	1.2
389.06470	3.9
390.07388	6.7
391.07614	0.6
400.07593	0.8
402.08524	0.6
403.08157	1.6
404.08975	1.3
405.09662	0.5
417.09875	1.6
418.06754	2.8
420.10757	2.0
432.10834	2.7
433.09775	1.0
434.12439	8.0
444.10797	1.6
445.09384	0.8
446.12552	1.1
448.08136	0.6
460.10205	0.9
462.11902	69.0
463.12262	4.2
465.10428	1.6
474.11929	6.4
490.10812	1.1
492.12955	28.0
493.13391	1.3
504.12967	2.0
506.14359	0.6
522.13519	1.0
534.14667	0.6
564.14850	4.0
582.16077	100.0
583.16449	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	581.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93526	0.2
54.10933	0.2
55.86242	0.2
59.01378	1.0
61.01824	0.2
61.98826	100.0
69.84654	0.9
78.95908	0.6
98.19923	0.2
112.81022	0.2
119.99882	0.1
152.99590	0.3
279.23273	3.4
280.23633	2.9
280.26297	0.2
281.23801	1.5
282.24124	1.3
414.72031	0.2
504.30783	1.3
505.31586	0.5
506.31912	0.5
507.31714	1.7
581.15222	0.5
581.32117	0.3
582.15411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
58.00591	1.6
59.01377	79.2
71.01384	18.3
71.56288	1.0
73.02925	4.5
77.38958	0.8
83.01387	2.6
85.02952	3.6
85.32230	0.8
87.00877	1.3
89.02439	16.4
95.01385	1.7
99.04517	8.1
101.02429	13.3
113.02442	5.8
119.03487	3.0
131.03499	1.7
137.02438	1.3
149.02432	1.7
149.04543	5.0
150.03268	4.9
163.04153	0.9
165.05565	3.8
165.12817	4.2
166.06355	0.9
168.57788	0.9
179.05583	1.0
180.04199	0.9
195.06671	2.7
207.13869	9.1
209.11809	30.0
225.14960	14.1
227.12959	1.2
237.84184	0.9
251.12975	5.4
269.13910	61.0
270.14291	2.6
283.06195	1.3
287.15024	1.3
311.05658	1.3
338.04907	0.9
431.09552	1.8
433.20654	0.9
449.20248	100.0
450.20340	5.6
473.18250	1.2
521.33008	1.2
581.24609	58.8
582.24658	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
58.00591	1.6
59.01377	79.2
71.01384	18.3
71.56288	1.0
73.02925	4.5
77.38958	0.8
83.01387	2.6
85.02952	3.6
85.32230	0.8
87.00877	1.3
89.02439	16.4
95.01385	1.7
99.04517	8.1
101.02429	13.3
113.02442	5.8
119.03487	3.0
131.03499	1.7
137.02438	1.3
149.02432	1.7
149.04543	5.0
150.03268	4.9
163.04153	0.9
165.05565	3.8
165.12817	4.2
166.06355	0.9
168.57788	0.9
179.05583	1.0
180.04199	0.9
195.06671	2.7
207.13869	9.1
209.11809	30.0
225.14960	14.1
227.12959	1.2
237.84184	0.9
251.12975	5.4
269.13910	61.0
270.14291	2.6
283.06195	1.3
287.15024	1.3
311.05658	1.3
338.04907	0.9
431.09552	1.8
433.20654	0.9
449.20248	100.0
450.20340	5.6
473.18250	1.2
521.33008	1.2
581.24609	58.8
582.24658	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24329	0.7
58.02978	2.0
59.01373	2.1
61.98833	0.8
68.04602	0.6
70.02988	1.3
71.01373	1.7
71.55802	1.0
74.02465	2.5
82.02969	2.6
84.04541	3.0
86.02475	0.9
89.02414	1.1
92.66629	0.6
93.03436	0.7
96.96011	3.6
99.05603	0.7
101.02434	0.8
101.07207	5.6
109.04055	2.9
113.02472	1.1
113.94585	0.7
119.05032	4.7
123.04517	34.2
127.05129	39.5
128.03546	5.9
128.05492	1.0
135.04544	1.2
136.07634	0.9
138.28201	0.7
153.05565	64.5
154.05884	1.5
190.08754	0.9
221.12904	2.3
247.10829	12.1
249.13043	0.7
264.08661	0.9
265.11902	100.0
266.12152	4.3
291.52957	0.7
315.10828	25.3
316.11295	1.1
347.39621	0.8
509.12195	1.0
529.50598	0.6
581.14642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03449	3.5
59.01372	14.9
60.99303	2.3
61.98821	6.2
68.99821	0.7
69.03442	1.2
69.19052	7.0
71.01382	6.6
73.02937	2.5
78.95903	1.0
81.03442	8.1
83.01382	6.2
85.02934	3.8
88.98801	15.3
89.02423	1.7
91.01293	0.7
93.03458	1.5
93.76687	0.7
95.01382	2.7
95.05025	4.7
96.96001	7.4
97.02970	3.4
99.00869	1.0
99.04507	2.1
101.02436	3.2
107.05047	1.9
108.02168	1.5
109.02939	4.1
109.06588	1.5
111.00883	1.2
111.04523	2.2
113.02460	3.5
119.05019	1.9
121.02936	2.9
121.06592	1.2
121.19519	0.7
122.03707	2.0
123.00922	1.2
123.04523	9.6
125.02434	10.3
131.05006	1.7
133.06641	0.8
135.04495	2.0
137.02420	6.4
137.06058	2.8
138.03247	0.8
139.04004	4.9
145.08653	0.7
147.04510	1.4
147.08072	1.7
149.02417	1.7
149.06049	2.8
150.03177	1.3
151.00354	0.6
151.03995	2.6
153.01868	1.1
153.05545	1.3
155.03543	1.0
159.04443	0.7
163.04045	1.9
164.04755	1.3
165.01915	2.1
165.05557	4.0
166.02699	1.8
167.03482	22.0
167.04948	1.1
168.03870	0.6
169.14546	0.6
171.08093	1.1
171.13869	0.7
173.06049	10.6
175.03996	1.3
177.05515	1.4
178.02713	1.1
179.03445	2.8
180.04228	0.8
181.05103	1.5
191.03517	1.3
193.05031	1.7
197.04535	3.9
209.04530	22.9
211.07657	0.6
213.09229	5.7
217.94557	0.6
221.04448	0.9
223.06155	1.4
225.09233	1.0
227.10715	2.1
229.08643	2.6
237.09291	0.6
239.05530	11.3
243.23932	0.7
249.45401	0.7
251.10628	0.8
253.08723	1.5
255.06541	1.4
255.10271	1.5
257.08142	9.0
267.10315	0.9
269.06018	0.7
269.08636	3.0
270.08789	0.7
279.10190	0.8
283.09802	2.4
287.09222	1.0
297.11313	0.9
299.09207	20.6
299.12665	1.1
300.09723	0.9
311.09198	9.5
313.10922	0.9
323.09262	1.1
325.10657	2.1
329.10257	6.7
337.10934	0.7
338.07928	0.9
339.08432	0.9
341.10266	100.0
342.10666	6.2
353.10211	4.3
355.12180	1.4
365.10327	0.8
371.11304	75.4
372.11783	4.3
383.11456	4.5
401.12390	26.3
402.12564	0.9
413.12350	1.7
425.12744	0.8
443.13498	10.0
461.14545	20.9
462.14777	1.1
473.14478	6.8
477.30569	4.8
491.15399	3.4
495.31674	1.0
521.32996	5.1
537.33130	0.8
563.17413	2.3
581.19037	15.2
581.34894	4.5
582.18860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.2
61.98825	2.2
63.41294	0.4
71.55492	0.5
71.55862	0.5
78.95892	5.0
80.96507	0.7
96.95979	0.8
146.35965	0.4
152.99532	1.3
168.04263	1.3
224.07014	0.8
240.93799	0.4
242.07947	2.2
273.78943	0.4
281.24826	100.0
282.25134	5.5
298.07126	0.5
391.60129	0.4
394.81876	0.4
506.32471	37.4
507.32986	2.6
580.14508	4.2
580.28760	1.1
581.15100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03429	2.3
57.56715	1.2
59.01371	2.7
60.69010	1.3
61.98831	2.6
68.99823	1.3
69.03451	2.4
70.71510	2.2
70.71883	2.1
71.01367	4.8
73.02945	3.3
75.00832	1.3
81.03444	15.1
83.01375	13.6
85.02943	3.9
89.02392	1.1
93.03426	5.6
95.01365	5.4
95.05036	5.7
96.96007	1.1
97.02944	11.9
98.87469	1.1
99.04514	5.6
100.23451	1.0
101.02358	1.6
107.05002	2.6
109.02940	4.5
111.00891	2.0
111.04509	5.4
113.02443	7.9
116.92838	1.7
117.03439	3.5
119.05047	2.0
121.02941	6.4
121.06567	1.7
123.04510	29.9
124.04913	1.5
125.02433	44.5
125.06071	1.7
133.02945	1.4
135.04500	5.5
137.02435	13.4
137.06044	3.1
138.03207	1.4
139.03966	4.9
147.04539	2.5
149.02429	4.6
151.03981	7.9
153.05531	4.5
155.03439	3.0
161.06076	1.2
163.00307	1.6
163.03963	3.1
165.01886	5.0
165.05580	5.1
166.02640	1.5
167.03481	59.3
168.03822	1.3
175.04010	1.4
177.01909	2.5
179.03473	17.4
180.04175	1.0
180.82793	1.1
181.05017	2.4
191.03433	3.6
191.07231	1.1
193.05014	3.1
195.06644	1.6
197.04533	19.0
205.05067	1.8
206.02155	1.8
208.40024	1.1
209.04526	100.0
210.04753	1.2
221.04466	5.5
223.06221	1.5
225.20670	1.1
233.04488	1.9
239.05583	92.0
240.05949	3.1
251.05534	5.1
261.75970	1.3
269.06625	43.9
270.07181	1.4
277.03317	1.9
281.06622	7.7
293.06442	1.6
299.07681	19.4
311.07745	8.4
329.08813	17.6
341.08698	4.6
353.06381	2.8
359.09735	2.2
371.07690	36.6
372.07953	2.6
379.06949	1.4
383.07669	2.6
395.00296	1.1
401.08636	34.9
402.09137	3.0
413.08478	1.8
419.11905	12.0
431.09717	10.5
443.09576	5.8
461.10828	24.6
462.11072	2.0
473.10764	4.9
491.11719	15.6
521.12708	2.1
563.13806	4.8
581.14764	31.4
582.15192	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	580.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.6
61.98823	2.5
69.97722	1.0
69.98123	1.0
71.01374	0.6
75.27498	0.4
93.03452	0.6
95.00532	0.4
96.96008	0.5
98.20728	0.6
107.01355	0.4
109.02888	0.5
113.02445	0.5
113.07923	0.5
117.03450	2.6
135.04468	0.7
137.02429	0.8
157.05540	0.4
161.02328	0.5
162.05646	0.4
164.43005	0.4
165.05545	0.5
175.03987	0.5
191.69971	0.4
199.03961	0.7
209.55807	0.4
211.04022	0.5
226.02609	0.6
228.06757	0.4
255.02969	0.6
268.03745	0.5
270.07681	0.7
284.09290	0.5
298.07233	12.6
310.07370	0.5
311.05713	0.5
312.09027	0.6
313.06812	0.5
328.08331	1.1
340.08310	7.3
342.06219	1.0
354.06400	0.5
366.06274	1.3
369.06467	0.8
370.06467	1.8
373.06921	0.5
375.05084	2.0
390.09363	0.5
399.07468	0.8
400.07477	1.3
430.08820	0.8
431.09619	0.5
432.10474	0.6
460.10156	5.6
462.14404	0.5
474.11807	0.5
490.10855	1.4
580.14508	100.0
581.14740	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	580.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69576	0.4
53.52931	0.4
58.19848	0.4
59.01379	2.3
59.26097	0.5
61.98828	100.0
69.18736	2.8
69.19159	2.1
71.01408	0.8
76.23753	0.5
96.96011	2.1
105.94118	0.5
211.04002	8.2
212.04427	0.5
239.03476	34.6
240.03802	1.6
254.05820	53.8
255.06122	1.7
256.83420	0.6
269.08173	93.7
270.08505	4.4
298.07181	1.4
309.20532	0.6
340.08444	0.8
367.18097	0.5
460.10339	1.0
580.14612	13.6
581.14972	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	580.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87656	0.4
59.01369	0.4
61.98831	3.4
69.66754	0.3
70.19946	1.3
71.01397	0.7
73.62563	0.4
93.03444	1.0
98.20542	0.5
104.34925	0.4
106.51112	0.5
117.03448	2.5
137.02451	0.9
149.02417	0.6
154.44730	0.4
161.02386	0.5
162.05603	0.4
163.03978	0.5
199.04013	0.5
210.73651	0.4
225.05492	0.6
228.04170	0.4
269.04474	0.7
270.07751	0.6
298.07199	11.2
299.05035	0.5
311.05414	0.6
322.07101	0.6
323.05533	0.5
327.05060	0.7
328.05072	0.6
328.08533	0.8
339.05032	0.5
340.04782	0.8
340.08310	8.0
341.08301	0.4
342.06348	1.1
354.06918	1.4
366.06351	1.1
369.06210	1.2
370.06223	2.1
375.04852	2.1
382.09436	0.9
389.06406	0.6
390.09976	0.4
400.07565	1.3
417.09903	0.6
430.08594	1.0
431.09674	0.5
432.10956	1.2
459.09106	0.5
460.10284	5.4
474.11191	1.0
490.10934	1.4
508.10361	0.7
520.12061	0.7
521.28046	0.5
562.12695	0.8
580.14514	100.0
581.14819	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	580.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54978	0.2
56.07890	0.2
57.03443	0.6
59.01377	2.0
61.98828	46.4
63.02398	0.6
64.45856	0.2
65.00340	0.6
71.01366	0.8
73.02939	0.4
83.01398	0.3
91.01906	0.4
93.03431	0.3
101.02432	0.7
107.01398	0.6
113.02473	0.4
132.02161	0.4
133.02946	1.7
135.00836	0.4
135.04549	0.4
136.01646	0.5
137.02277	0.2
151.00343	0.4
151.03978	0.9
152.04332	0.3
159.04472	0.8
166.05161	0.3
169.06575	0.3
171.04564	0.2
180.05830	0.4
181.06570	1.1
183.04466	0.7
197.06068	0.5
199.04041	0.3
201.05554	0.9
213.05586	0.4
218.14664	0.2
224.04764	0.8
225.05565	0.7
227.03494	0.2
229.54752	0.3
239.03409	0.3
240.04424	0.3
241.05148	0.4
253.05090	1.4
265.05026	0.2
267.02994	0.5
267.10806	0.2
268.03738	5.4
269.04529	100.0
270.04889	3.9
271.05878	0.3
283.06107	0.4
291.06613	0.9
304.88571	0.2
306.23874	0.2
311.05560	8.3
312.05917	0.5
353.06845	0.5
357.13318	0.9
358.13809	1.0
445.69064	0.2
519.31519	0.6
580.14307	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	579.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20281	7.5
51.96182	10.2
59.01357	24.9
61.98817	23.8
65.48381	9.0
67.98940	7.4
71.01368	14.1
71.58670	6.9
72.89705	9.1
74.60993	7.8
85.03007	9.5
85.65042	9.1
96.96037	11.3
108.51663	7.5
109.69951	9.9
151.21944	8.3
171.25072	8.1
171.72556	8.7
174.01653	11.7
289.18063	10.7
369.06012	30.2
399.07404	13.6
489.10364	11.4
579.13177	44.0
579.25885	18.7
579.34644	18.3
580.14539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
59.77973	0.1
60.01711	0.2
61.01809	0.2
61.98828	100.0
69.83774	0.2
69.84192	0.5
78.95894	0.7
86.34050	0.1
93.36617	0.1
116.92889	0.1
146.38666	0.1
152.99588	0.5
183.33075	0.1
212.19519	0.2
223.44287	0.2
231.15175	0.1
242.08121	0.3
242.28963	0.1
277.21716	2.8
278.22052	2.6
279.22397	1.8
280.22574	1.1
340.08035	0.2
399.07309	0.2
489.10214	0.2
502.29550	1.0
503.29803	0.4
504.30096	0.6
505.30167	1.7
579.13623	0.5
579.30621	0.3
580.14606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62168	0.5
64.15100	0.5
65.86628	0.5
70.70154	0.7
70.70502	1.1
71.01389	0.9
83.01364	0.7
88.98779	0.7
109.02943	1.8
123.04471	0.6
133.01955	0.6
133.02946	9.3
134.03705	0.5
135.04495	1.6
137.02385	0.5
147.04498	0.8
149.02435	1.3
149.06084	0.6
151.04021	0.9
161.02472	0.8
163.04005	0.6
171.04463	0.6
174.03117	0.7
175.03976	3.3
177.01929	1.8
177.05554	1.6
179.03563	0.6
188.35661	0.5
189.01877	0.7
189.05475	0.6
191.03479	1.9
201.01901	1.1
203.03482	1.7
205.01344	1.2
205.05029	0.8
207.02881	0.7
209.77965	0.5
213.05484	1.3
215.03345	0.5
227.03517	0.5
229.05061	0.6
239.07104	1.0
241.05052	0.7
245.04428	1.1
253.04910	0.6
254.05832	0.8
255.02933	0.7
267.02994	0.5
267.06503	0.9
269.04480	1.1
281.04474	0.8
283.06104	2.0
285.04129	0.6
295.06039	1.5
297.03961	3.2
298.04825	8.8
299.05557	3.9
309.03906	1.7
310.04581	1.5
311.05533	7.4
312.06384	9.3
313.07150	9.5
314.07333	0.7
323.05542	2.2
325.07053	1.6
327.05063	4.9
339.05078	12.3
340.05405	0.8
341.06592	6.9
344.05453	0.7
351.05069	1.7
353.06723	3.3
357.06073	1.6
367.04312	1.2
369.06122	49.7
370.06476	2.1
371.07874	0.8
381.06229	6.5
383.07678	0.6
399.07184	33.8
400.07593	2.3
411.07260	5.1
412.07312	0.5
413.08823	1.1
423.07272	1.6
429.08185	6.8
441.08151	3.4
453.08121	1.4
459.09271	11.6
460.09720	1.2
471.09293	2.5
478.59091	0.5
489.10413	23.8
489.17612	1.2
490.10718	2.2
519.11487	4.7
543.11108	0.7
558.88794	0.7
561.12329	3.0
579.13519	100.0
580.13824	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	579.135
Annotation	Unknow
Peak:m/z	Relative Intensity
68.65038	0.4
71.01368	0.8
88.87297	0.5
88.98779	0.7
108.66530	0.6
109.02927	1.4
122.19386	0.5
123.89703	0.4
127.55963	0.4
133.02934	7.1
134.03809	0.6
135.04523	0.7
147.04532	0.5
149.02475	0.9
151.03870	0.5
157.01819	0.5
161.02429	1.2
163.04005	0.7
175.04018	1.1
177.01808	1.2
177.05467	0.5
189.05547	0.7
191.03409	0.9
201.02051	0.5
203.03532	1.1
205.01294	0.8
205.05006	0.7
213.05458	0.8
215.03416	0.5
217.05016	0.7
227.03595	0.5
245.04501	1.0
267.06415	0.9
269.04318	0.6
269.08231	0.6
281.04495	0.8
283.06195	1.0
285.03992	0.5
293.04581	0.5
295.06003	0.7
297.04025	2.4
298.04761	5.9
299.05521	2.1
309.04227	0.7
311.05612	4.8
312.06326	8.3
313.07123	6.7
323.05615	1.8
325.07053	1.6
327.04959	4.8
338.04269	0.6
339.05014	10.0
340.05490	1.0
341.06641	5.3
344.05328	1.0
350.59219	0.5
351.04980	0.8
353.06683	2.2
357.06174	1.8
363.04919	0.6
369.06104	42.5
370.06485	2.1
371.07730	0.9
381.06113	5.6
383.07648	0.9
397.05521	1.0
399.07150	34.7
400.07571	1.4
411.07224	5.0
413.08713	0.8
423.07104	2.0
429.08127	7.6
441.08337	3.6
453.08087	1.0
459.09277	10.4
460.09470	0.9
471.09229	2.6
489.10345	21.5
490.10571	2.1
501.09952	0.8
519.11304	4.1
561.12439	2.3
579.13483	100.0
580.13855	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	579.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01374	3.6
61.98801	0.9
62.90562	0.6
69.41096	4.0
71.01363	2.5
72.99303	1.1
73.02950	0.8
81.56371	0.5
88.98785	0.7
89.02394	0.5
91.05574	0.5
93.03449	1.8
95.01417	0.7
96.96001	1.4
101.02400	1.4
102.42062	0.5
109.02944	1.3
111.00895	0.8
112.98771	1.1
113.02453	1.0
117.03433	4.1
119.03574	0.7
119.05020	1.3
121.02966	0.8
133.02945	1.5
135.04495	2.2
136.01707	0.8
145.03058	0.7
147.04477	1.5
149.02367	1.2
150.03220	3.3
151.03961	1.4
159.04472	0.9
161.02417	2.1
161.04593	0.5
163.03983	1.7
165.05556	3.7
175.02545	0.6
175.03983	1.9
177.01877	0.8
177.05557	1.6
177.12492	0.6
179.03508	0.9
179.19029	0.6
182.31268	0.7
189.01874	1.1
189.05576	0.7
190.02394	0.5
191.03517	1.2
193.05092	0.6
195.06595	1.8
197.06026	0.9
203.03525	0.9
217.05014	0.6
233.04529	0.7
251.07123	0.9
253.04944	0.7
267.06537	1.2
269.04550	1.3
281.04651	0.8
282.05249	1.7
283.06006	1.9
284.06375	0.7
295.06027	3.3
296.06787	2.2
297.07642	18.0
297.11017	1.3
298.07782	1.1
307.06079	1.8
309.07632	2.3
311.05554	3.1
312.06393	1.2
312.10135	0.8
313.06311	1.0
323.05515	2.0
325.07156	7.9
326.07281	0.8
327.04999	1.0
327.12213	4.4
328.05725	1.8
335.05560	1.5
337.07129	2.4
339.04935	0.8
340.04642	0.6
353.06604	43.9
354.07086	3.5
355.07654	1.0
357.13492	1.3
365.06610	5.6
367.07858	1.0
369.05988	1.6
375.14383	1.2
383.07635	18.6
384.07999	1.5
385.07831	0.6
395.07474	2.9
399.07114	2.2
413.08804	1.3
425.08499	0.9
459.08994	1.2
463.10513	1.4
473.10825	100.0
474.11115	6.3
475.10202	1.1
489.10385	2.2
503.11880	4.5
505.11523	1.1
529.09930	0.8
547.10468	3.6
561.13489	1.7
579.14282	16.6
580.14587	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	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.9
61.98820	1.2
63.08937	0.3
63.33035	0.2
70.21708	0.6
71.01382	0.2
78.95899	22.1
80.96519	1.5
92.04683	0.2
96.95998	0.3
96.96965	0.5
122.98480	0.3
152.98509	0.4
152.99576	3.1
168.04285	3.5
224.06892	8.2
242.08005	2.0
261.22247	0.5
279.23257	100.0
280.23599	4.6
402.06708	0.2
454.29575	0.2
504.30920	75.2
505.31235	5.2
578.27014	2.3
579.13342	0.3
579.26563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87432	0.6
59.01362	2.1
59.55322	0.6
69.44913	3.2
86.90470	0.6
88.34341	0.6
126.05226	0.7
205.19618	0.8
249.58197	0.7
259.20667	0.9
274.76224	0.6
277.21698	100.0
278.22025	4.5
332.87595	0.7
375.16800	0.7
577.42346	54.2
578.42810	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	578.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72656	0.1
55.43407	0.1
58.22897	0.1
59.01376	16.3
63.83252	0.2
69.26077	1.6
69.91710	0.2
78.95900	5.2
79.95715	0.3
80.96513	1.1
94.98080	0.3
152.99597	1.3
161.02640	0.2
164.98576	0.2
165.33385	0.2
168.04295	1.4
224.06972	0.9
224.81424	0.2
225.00697	0.2
242.08011	2.4
261.22128	0.4
279.23254	100.0
280.20639	0.3
280.23608	5.8
504.30933	38.4
505.31232	3.3
519.27698	0.2
578.27191	2.3
579.27222	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.7
57.73545	0.5
59.01361	2.1
59.29653	0.5
59.87277	0.6
60.53220	0.5
61.98826	19.7
63.96244	0.9
71.01379	7.3
71.46432	0.9
73.02933	1.8
78.95883	1.3
78.98602	5.1
79.95733	10.6
80.96514	61.2
81.03403	0.6
85.02962	3.2
87.00862	2.2
94.98076	14.4
96.96010	0.8
97.02946	0.9
99.00872	0.6
101.02409	1.8
106.98099	3.3
122.97565	2.9
125.02414	2.6
134.97562	4.3
136.99150	1.5
148.99150	5.5
152.98586	6.6
152.99582	0.7
164.98636	10.4
206.99693	2.4
225.00745	13.9
253.56447	0.7
277.21594	2.0
279.23450	3.1
299.04407	2.4
405.02264	0.6
459.66248	0.7
504.30957	2.4
542.25220	0.8
577.26819	100.0
578.27179	10.1
601.56927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98829	17.0
63.96220	0.8
66.67119	0.3
69.03444	0.5
70.13820	1.0
71.01373	6.9
72.99304	0.3
73.02937	2.2
74.34423	0.3
78.98584	5.5
79.95730	9.2
80.96514	62.2
81.03458	0.8
83.01364	0.4
85.02945	2.4
87.00881	2.4
90.83461	0.3
94.98085	14.7
96.96020	1.0
97.02959	1.7
99.00909	0.5
99.04520	0.5
101.02438	2.7
101.75156	0.3
106.98086	3.3
113.02463	0.4
122.97575	5.4
125.02438	3.4
127.03983	0.9
134.97586	4.5
136.99106	1.3
148.99124	5.8
152.20959	0.3
152.98628	6.6
164.98619	10.7
167.00156	0.4
182.99608	2.7
203.18245	0.3
206.99672	3.3
225.00729	17.4
243.01718	1.8
277.21683	2.1
279.23163	1.6
299.04340	3.0
342.69565	0.3
348.26239	0.4
354.07101	0.3
379.28461	0.4
380.28873	0.7
433.37051	0.3
488.58130	0.3
504.30750	0.9
577.26819	100.0
578.27075	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	577.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69009	0.4
69.79266	2.2
71.01379	0.7
85.02943	0.4
91.05497	0.5
93.03461	1.5
95.01388	0.5
98.19877	0.7
117.03458	5.3
119.05020	1.1
133.06554	0.5
135.04526	2.1
145.02948	0.5
147.04546	0.8
149.02420	1.1
149.06050	0.6
159.04474	1.2
161.02460	2.4
163.04015	2.1
173.02362	0.5
173.06035	0.8
175.04005	2.2
177.01993	0.8
177.05533	1.8
179.03459	0.9
187.04002	0.6
189.01924	1.2
189.05548	0.6
191.03510	2.0
199.03897	0.4
203.03506	1.8
205.04977	0.9
210.52196	0.4
217.05029	0.6
221.04523	0.9
223.07570	0.4
224.08382	0.5
225.05545	0.4
233.04536	1.1
238.06407	0.7
239.07060	0.4
245.04607	0.5
251.07185	0.7
253.05005	0.5
253.08711	0.9
267.06662	1.4
268.07385	1.8
279.06540	0.5
281.04553	1.5
281.07941	1.0
282.05286	2.8
283.06107	3.1
293.04672	0.6
295.06097	5.2
296.06848	3.2
297.07635	25.9
298.08051	0.8
299.08545	0.5
307.06125	2.5
309.07544	3.6
311.05551	3.9
323.05576	5.2
324.06311	1.5
325.03259	0.6
325.07150	13.0
326.07620	0.7
328.05890	3.0
335.05554	1.7
337.07150	4.5
349.07007	0.5
351.05173	1.1
353.06625	53.5
354.06918	3.6
355.08139	1.7
356.05322	1.5
357.05722	0.5
365.06625	7.3
367.08002	0.9
379.08139	0.6
383.07678	34.0
384.08078	1.7
395.07590	3.9
397.09109	0.5
413.08817	3.8
415.42313	0.4
425.08728	0.6
439.10333	3.0
457.11414	8.4
458.11887	0.5
473.10837	6.5
474.11563	0.5
485.78809	0.4
487.12488	0.8
503.11807	2.9
559.14294	1.4
577.15570	100.0
578.15857	8.1
597.58459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
59.35800	0.6
69.52693	3.0
69.53101	1.1
70.76690	0.6
71.01373	1.3
89.02455	0.6
93.03416	1.1
100.93771	0.7
101.02434	0.8
114.22417	0.6
117.03463	3.8
119.05027	1.3
132.45064	0.6
135.04509	2.5
136.90149	0.7
147.04524	0.8
149.02452	1.1
161.02425	2.2
163.03964	1.3
175.03972	1.7
177.01942	1.0
177.05542	1.7
189.01921	1.5
191.03461	2.1
203.03500	0.9
205.04964	0.7
212.11804	0.7
215.03496	0.7
226.57243	0.6
233.04544	0.7
249.11275	0.7
251.07053	0.9
253.08643	0.9
264.97113	0.6
281.04391	0.6
282.05219	2.0
283.06104	5.0
295.06091	4.5
296.06851	2.3
297.07645	17.6
298.07861	1.0
307.06100	2.0
309.07721	1.9
311.05673	5.2
323.05597	4.5
324.06219	1.3
325.07153	8.2
328.05869	1.8
333.56448	0.7
335.05539	1.6
337.07111	2.6
341.06674	0.8
351.04965	0.7
353.06616	41.9
354.07050	1.9
355.07938	1.0
356.05402	1.3
365.06641	5.0
381.06094	1.2
383.07690	23.5
384.08240	1.5
385.42587	0.8
395.07538	3.2
413.08682	2.5
437.08621	1.0
457.11459	13.1
458.11639	0.8
469.11560	1.1
473.10648	0.9
487.12656	4.5
559.14453	0.9
577.15521	100.0
578.15875	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	576.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	28.6
61.98814	0.4
70.70474	0.4
71.01368	0.3
77.39326	0.3
78.95900	27.5
96.96954	0.5
122.98547	0.7
127.07616	0.3
152.99580	4.4
168.04297	4.4
180.23030	0.2
194.05844	0.3
216.92368	0.2
224.06912	10.6
225.07161	0.3
233.22736	0.5
242.07942	3.1
259.20547	0.6
275.19968	0.3
277.21695	100.0
278.22055	5.2
502.29379	83.1
503.29675	5.8
517.25616	0.4
576.13995	0.6
576.32373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86628	0.1
59.01377	0.2
61.98829	100.0
69.02999	0.1
69.36275	0.9
69.95929	0.1
71.73158	0.1
76.88670	0.1
80.96513	0.3
81.39625	0.1
94.98105	0.1
168.40846	0.1
169.14534	0.1
255.09875	0.2
277.21765	0.6
278.22012	1.0
279.22308	0.7
280.22699	0.3
457.56918	0.1
577.27130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60738	0.2
59.01376	18.9
70.51198	0.2
70.83044	0.4
71.01376	0.2
78.50116	0.2
78.95899	6.7
87.17789	0.2
96.96947	0.2
123.14346	0.2
135.87473	0.2
152.99586	1.4
168.04286	1.5
191.53889	0.2
224.06905	0.9
233.22717	0.3
242.07980	3.1
259.20694	0.6
275.20108	0.4
277.21689	100.0
278.18973	0.3
278.22018	4.9
295.36002	0.2
311.17999	0.2
351.75089	0.2
502.29367	41.9
503.29715	2.9
517.25641	0.3
576.12799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05515	0.1
59.01371	0.3
61.98828	100.0
62.98534	0.1
63.43899	0.1
69.21805	1.5
72.97742	0.1
78.98592	0.1
80.96507	1.1
89.13589	0.2
94.98051	0.1
101.02431	0.2
105.02870	0.1
107.35788	0.2
148.23541	0.2
200.92793	0.1
204.36220	0.2
213.05353	0.1
225.00786	0.2
235.70760	0.1
253.09358	0.2
277.19177	0.1
277.21603	0.7
278.21994	1.0
279.22418	0.6
280.22742	0.5
345.63342	0.1
384.08835	0.1
499.13324	0.2
577.26770	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	576.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21258	1.6
59.01381	50.1
71.01380	25.8
71.38629	2.2
73.02945	45.9
75.05222	1.7
83.01382	10.7
84.31582	1.2
85.02945	2.3
89.02451	4.4
93.03469	2.9
94.84163	1.5
101.02443	29.7
113.02448	8.2
119.03481	3.2
121.02952	32.1
123.04531	2.1
126.22472	1.5
148.04051	17.1
149.04471	4.3
150.05560	1.9
161.04570	5.7
221.06613	1.7
272.03082	1.4
306.48117	1.4
328.10391	12.7
370.11392	100.0
371.11832	5.1
441.88248	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	576.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75207	0.8
55.80307	0.9
58.00582	1.2
59.01378	49.8
69.03455	1.5
70.41005	3.0
71.01381	23.0
73.02942	46.5
75.24169	0.9
83.01380	11.2
85.02950	4.0
89.02439	5.2
92.05059	1.9
93.03446	2.9
96.95999	2.7
101.02433	30.6
110.67815	0.9
113.02440	11.0
119.03491	3.3
121.02947	33.8
122.03709	1.0
123.04469	2.0
125.02470	1.0
131.03539	1.6
143.03450	1.8
148.04039	19.9
149.04504	3.2
150.05560	3.5
161.04553	5.4
166.78848	1.1
167.03386	1.5
203.05551	1.2
209.04396	0.9
221.06639	2.2
234.01491	0.9
268.77704	0.9
310.09207	3.5
328.10364	12.2
370.11380	100.0
371.11810	4.8
532.16797	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.0
61.98814	0.5
67.32605	0.4
71.01369	2.3
71.56464	0.7
72.99260	0.5
73.02936	0.6
85.55499	0.5
89.02435	1.7
99.84552	0.5
101.02422	2.6
113.02435	1.2
113.75562	0.4
119.03500	0.9
142.23676	0.4
161.04509	0.9
162.94986	0.5
220.62199	0.5
226.19037	0.5
235.08192	1.8
240.69667	0.4
253.09268	14.2
258.65540	0.5
279.23257	100.0
280.23608	5.4
291.50510	0.5
353.06754	0.8
448.39130	0.5
470.92883	0.5
575.13983	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	575.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	10.5
61.98805	0.8
70.78947	1.2
70.79287	1.1
71.01382	2.2
72.10342	0.5
89.02425	1.7
93.03248	0.6
101.02457	2.3
112.69733	0.6
113.02448	1.6
161.04564	1.5
164.23523	0.7
175.78902	0.8
179.05695	0.6
235.08159	1.9
253.06642	1.1
253.09267	14.7
277.66104	0.6
279.23267	100.0
280.23596	4.4
341.47037	0.7
351.05273	0.8
454.90332	0.6
575.13556	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	575.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98481	0.6
57.03445	100.0
58.03765	1.5
59.01380	13.7
61.98829	1.3
69.48549	4.3
71.01377	5.5
73.02928	1.4
75.00883	1.6
81.03450	5.1
83.01414	2.0
85.02967	2.2
87.00864	0.6
89.02448	1.3
91.14245	0.6
93.03448	0.7
96.96002	6.0
98.19823	0.8
98.95618	2.0
99.00892	0.6
99.04513	56.7
100.04889	0.7
101.02435	22.4
101.03103	1.2
113.02475	2.6
115.92110	0.8
116.92878	2.6
117.03463	3.9
121.02993	1.3
125.02435	6.9
133.02969	1.0
135.03006	1.7
135.04556	0.7
137.02422	0.7
143.03542	1.5
149.02443	0.8
161.02466	1.2
163.00343	0.6
163.04036	0.7
174.03253	0.6
175.03998	1.7
177.01933	0.8
177.05473	0.9
179.03583	0.7
194.36725	0.6
197.06096	0.9
203.07329	0.6
205.59596	0.6
207.02992	0.9
209.06136	0.8
223.07419	0.8
225.05688	0.9
228.50093	0.6
237.05772	0.6
238.06221	0.6
239.03450	0.8
239.07173	0.6
250.06436	0.7
251.07147	1.1
252.07858	1.2
253.04929	0.7
263.07193	1.0
265.05029	0.7
267.06711	2.7
268.03827	0.9
268.07556	2.7
269.04462	3.1
270.08942	0.8
278.05865	1.2
279.06665	1.2
281.04718	1.3
281.08057	1.3
282.05527	0.8
283.06238	3.6
283.09933	2.5
284.03250	0.9
285.04019	9.3
286.04333	0.7
291.44516	0.7
293.08194	1.6
294.08929	1.5
295.06152	3.0
296.06833	9.4
296.09769	0.8
297.04208	2.3
297.07770	5.6
297.11157	1.3
298.04736	3.2
299.05786	0.8
307.06229	1.3
308.10547	1.1
309.07788	4.0
309.11475	4.3
311.05707	4.1
311.09384	16.5
311.12671	0.9
312.09778	3.1
313.03464	4.1
323.05594	2.4
323.09250	1.4
324.10016	2.2
325.03604	1.9
325.07257	2.3
325.10675	1.2
326.11520	14.5
326.14905	1.0
327.05487	0.9
327.12387	9.1
328.06174	0.8
335.05664	1.0
337.07288	1.5
339.05396	1.1
339.12317	10.7
341.06781	0.9
351.05258	1.5
353.06760	6.8
353.10529	5.1
365.06876	1.1
367.08627	0.8
369.06009	4.1
383.07831	2.8
395.08054	0.8
399.07294	1.1
425.16391	1.9
431.09891	0.9
443.17004	14.4
444.17401	1.0
445.08047	2.0
446.08777	2.2
459.09604	1.4
465.19360	1.6
471.09299	1.7
473.11124	4.7
473.17801	1.3
483.20224	17.1
483.26718	1.0
484.20782	1.6
489.10138	3.9
513.21338	1.5
515.28583	0.7
531.28210	1.4
543.15192	1.2
557.13049	3.1
575.15094	25.4
575.27838	4.5
576.15204	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	575.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75430	0.4
59.01373	0.6
64.25630	0.4
69.41544	3.4
71.01385	0.6
79.01929	0.5
80.72976	0.4
81.99500	0.4
93.03468	1.3
101.02458	0.6
117.03455	6.1
119.05019	1.4
119.67150	0.5
121.02941	0.7
121.86658	0.4
132.62289	0.5
135.04507	1.9
137.02446	0.5
142.53030	0.4
145.02939	0.6
149.02405	0.8
159.04430	0.9
161.02390	2.6
163.03973	1.6
165.01930	0.5
174.54729	0.5
175.04022	1.0
177.01936	1.4
179.03458	1.4
189.01903	1.3
191.03442	1.3
200.20064	0.5
203.03482	1.4
205.01422	0.8
207.02975	3.7
223.07555	0.8
230.46411	0.5
231.02896	0.9
237.03836	0.6
239.07178	0.7
241.04948	0.5
249.03928	1.4
251.07210	1.0
255.06747	0.7
266.05722	0.6
267.06613	0.7
268.07492	0.8
269.04593	1.0
278.05981	0.6
281.04456	2.2
282.05362	2.1
283.06110	9.5
283.96774	0.5
293.04590	1.0
293.08081	0.8
295.02887	0.9
295.06021	6.9
296.06860	1.9
297.07651	16.4
307.06140	2.1
309.04239	0.6
309.07654	2.0
310.04907	0.6
311.05618	11.3
312.05804	0.6
314.04559	0.8
321.03922	0.9
322.04865	1.4
322.31244	0.5
323.05554	8.8
324.06265	0.6
325.07132	7.9
328.05853	3.1
335.05588	1.8
337.07187	2.4
339.05054	2.4
341.06628	3.8
351.05029	6.6
353.06638	36.5
354.06921	1.0
355.08139	1.2
356.05374	1.1
359.49866	0.6
360.19473	0.5
363.05060	0.6
365.06613	2.7
367.04602	2.1
367.08582	0.7
369.06100	17.8
370.06601	0.5
381.06024	4.0
383.07663	15.1
395.07758	1.7
397.05475	1.1
399.07211	10.4
404.43240	0.5
411.07208	1.8
425.09039	0.7
431.09735	1.7
441.08163	1.1
455.09729	4.3
471.09195	1.8
473.10858	17.7
474.11438	1.3
485.10764	0.9
487.08948	4.0
488.09631	1.0
489.10367	21.3
489.17480	1.2
490.10834	1.6
557.12958	1.3
575.14032	100.0
576.14319	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	575.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.2
59.01376	11.5
61.98842	2.4
70.72453	2.8
70.72816	5.9
71.01386	7.7
75.73045	2.2
75.93410	2.3
80.62110	2.0
82.95455	2.3
85.02968	4.0
89.02419	3.4
96.96030	3.5
99.04501	4.6
101.02438	6.1
112.27299	2.3
117.03455	17.1
125.02470	2.6
127.07679	4.0
131.04855	2.5
133.02989	3.6
134.03752	2.6
135.04515	2.0
137.02406	2.5
147.04472	3.7
149.02438	5.2
149.06030	3.1
159.04538	2.9
160.01697	3.5
161.02411	8.3
171.06593	2.5
175.04001	15.3
177.01942	8.2
185.02364	3.3
189.01859	3.4
191.03458	5.0
193.01401	2.6
193.05002	4.5
197.06126	4.8
201.02046	2.8
203.03477	7.6
205.01479	2.8
205.05057	3.1
209.06148	2.3
217.05040	2.3
225.05257	2.6
239.06752	2.0
245.04622	2.8
253.05023	4.4
255.02995	3.2
263.94559	2.1
267.06500	3.7
269.04428	11.9
277.05472	2.6
279.06729	3.8
281.04562	8.5
282.05225	15.4
283.06125	22.5
285.04034	4.8
295.06104	26.6
296.06830	38.7
297.03949	7.0
297.07620	22.5
298.04745	3.5
307.06171	10.8
309.04037	4.9
309.07620	6.4
311.05618	65.5
312.05887	3.9
313.03421	4.0
321.04123	5.4
321.07629	4.0
322.04730	6.0
323.05603	32.9
324.06134	4.4
325.03491	6.8
325.07126	10.3
326.04218	5.7
327.05090	8.2
328.05777	7.5
335.05640	3.6
337.03455	4.1
337.07147	11.4
339.05051	18.3
341.06534	5.6
349.07242	5.1
350.04102	2.9
351.05054	14.4
353.06659	67.2
354.06897	3.9
356.05338	4.9
357.06000	4.6
363.05051	5.3
365.06552	16.0
367.08008	3.9
381.05988	6.5
383.07727	68.7
384.08221	3.1
391.08469	3.1
395.07651	7.7
396.08444	2.2
397.09448	2.3
413.08633	7.7
413.13831	2.8
431.09763	7.2
437.08817	8.7
443.09824	11.0
444.10352	4.3
445.07718	28.7
446.08551	11.0
447.09445	5.4
449.08884	3.9
455.09946	16.5
467.09528	6.1
471.09265	52.2
472.10071	43.2
473.10852	100.0
474.11331	6.1
485.10733	11.5
489.10205	3.4
501.10596	6.7
503.11899	38.9
504.12683	3.6
531.11572	4.3
539.12579	3.1
557.12921	43.6
575.14081	41.2
575.28003	3.6
576.14185	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	575.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88051	0.5
59.01360	0.5
69.41889	1.0
69.42303	3.5
71.01376	0.7
85.02960	0.6
93.03463	0.7
98.20674	1.2
101.02500	0.6
117.03441	4.5
119.05003	1.0
135.04521	1.9
149.02388	0.9
159.04517	0.9
161.02458	2.8
163.03989	0.8
175.03925	1.1
177.01930	1.2
177.05484	0.9
179.03453	1.0
189.01895	1.4
191.03458	1.6
200.60391	0.6
201.01883	0.8
202.82813	0.6
203.03484	1.3
203.44604	0.6
205.01357	0.7
205.05013	0.7
207.02985	1.3
211.76494	0.6
219.09448	0.5
231.03043	1.1
233.04414	0.7
238.06313	0.8
239.07004	0.8
251.07027	1.1
267.06561	1.0
268.07462	0.8
275.05069	0.7
276.72824	0.6
281.04468	1.3
282.05328	1.7
283.06079	6.6
295.06073	8.3
296.06927	2.6
297.07645	12.5
305.04483	0.7
305.08188	0.6
307.05981	3.0
309.04272	0.6
309.07748	0.8
311.05569	12.4
312.06296	0.9
321.04068	0.7
323.05542	9.0
324.06189	1.8
325.07111	7.3
328.05716	3.1
335.05551	1.9
337.07190	2.2
339.05191	3.0
341.06689	1.5
349.06985	0.6
351.05054	9.3
352.05887	0.6
353.06638	33.1
354.07068	1.4
356.05362	2.4
363.05173	0.8
365.06601	2.5
367.08194	2.0
369.06110	9.9
370.06241	0.9
381.05988	2.1
383.07632	6.6
393.09912	0.7
395.07608	0.7
399.07172	2.6
409.09204	0.7
419.07379	1.0
431.09930	0.9
437.08609	1.5
439.09854	0.6
455.09821	4.8
457.11490	0.7
459.09409	1.2
471.09311	3.6
472.10043	1.9
473.10806	13.4
476.09668	0.6
483.09082	1.0
485.10846	0.8
487.08609	0.7
489.10358	12.3
489.17456	0.8
490.10751	1.1
501.10544	0.9
503.12228	1.2
524.63257	0.7
529.13721	0.7
531.14905	2.4
557.12964	6.6
575.14014	100.0
576.14288	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	575.14
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48629	7.0
71.01368	1.9
81.43941	0.9
85.02944	1.0
87.04489	1.2
93.03468	1.7
100.26550	1.0
117.03455	7.3
123.89302	1.0
131.04935	1.1
135.04486	1.7
145.02916	1.3
147.04433	1.4
149.02419	1.6
149.89478	1.1
157.86252	1.0
159.04439	1.5
161.02434	3.3
165.01930	1.0
175.03967	2.8
177.01904	3.1
177.05603	1.0
179.03473	1.3
189.01723	1.1
191.03450	2.0
201.01909	1.6
203.03450	2.1
205.05055	1.9
207.02997	4.0
219.02924	3.4
219.10074	1.1
235.02242	1.4
239.07191	1.0
249.03987	1.3
251.07140	1.6
263.06949	1.1
265.05127	1.5
267.06604	1.9
269.04288	1.6
275.05585	4.6
279.06531	1.9
281.04553	4.1
282.05359	5.3
283.06113	16.2
293.04596	1.8
294.05328	1.7
295.06076	11.6
296.06699	2.2
297.04294	2.1
297.07614	11.1
305.06870	1.5
307.06149	5.7
308.03082	1.2
309.04297	2.3
309.07657	3.8
311.05621	19.4
314.04132	1.4
322.04709	3.0
323.05588	13.1
325.06979	4.9
335.05594	2.0
337.03427	1.7
337.07031	10.2
339.05069	16.0
339.08920	1.7
341.06680	5.8
349.07126	2.4
351.05072	13.1
353.06604	17.1
363.04953	4.5
365.06580	5.2
367.08139	2.7
369.06055	16.8
375.05264	1.3
381.06131	11.5
383.07690	12.5
393.05878	1.7
395.07730	1.6
411.07266	4.8
413.08801	1.6
427.10251	1.5
431.09583	6.3
437.08923	1.7
441.08163	1.8
443.09909	2.8
455.09583	2.4
457.11304	1.2
459.09293	44.7
460.09552	1.4
467.09756	1.6
471.09280	25.8
472.09851	1.9
473.10788	12.1
483.09152	4.4
485.10849	4.5
487.08560	1.4
489.10361	6.5
501.10339	15.1
503.11829	14.1
531.11279	13.1
557.12897	23.2
575.14008	100.0
576.14490	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	575.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02075	0.7
57.49448	0.7
59.01360	1.3
69.55925	2.8
69.56352	2.8
71.01385	0.7
75.60676	0.7
85.72730	0.9
89.02422	1.1
93.03424	1.9
95.16602	0.7
117.03447	5.9
119.05045	1.1
135.04491	2.4
151.82741	0.8
161.02412	3.6
163.04007	1.9
165.01932	1.0
168.94542	0.8
175.03944	1.9
177.01891	1.3
177.05606	1.1
189.01881	1.9
191.03462	1.7
197.06017	1.0
203.03506	2.6
205.01241	0.9
207.02896	3.8
219.02916	1.1
221.04439	0.8
231.02763	1.0
244.78502	0.9
249.03928	1.4
251.07170	0.9
267.06564	1.6
269.04535	2.1
275.05603	1.4
281.04453	2.4
282.05316	2.7
283.06113	13.3
293.04538	1.4
294.05289	1.1
295.06100	9.5
296.06808	2.5
297.07684	15.4
307.06064	2.4
309.07632	2.5
311.05585	12.4
321.07684	1.1
322.04880	1.4
323.05563	11.4
325.07031	6.4
328.05838	2.0
335.05664	2.1
337.07132	3.7
339.05054	4.1
341.06555	3.2
349.06967	1.1
351.04965	8.1
353.06665	31.0
354.07245	1.4
363.04971	2.1
365.06631	3.2
367.04303	1.6
369.06097	19.0
381.06085	5.8
383.07675	16.0
395.07928	0.9
399.07108	9.5
404.02835	0.9
411.07175	2.2
431.09735	1.4
443.09775	1.0
455.09741	3.7
459.09238	2.9
471.09244	5.7
473.10828	12.1
485.10791	1.7
487.08743	2.7
489.03632	1.4
489.10361	18.6
490.10959	1.5
501.10193	2.1
503.12018	1.8
531.11365	1.9
557.12994	5.9
575.14008	100.0
576.14343	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	573.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
57.03448	2.2
59.01378	11.1
61.98852	1.1
65.00333	0.5
71.01378	4.6
71.05018	0.4
71.58852	0.6
73.02948	2.0
73.66798	0.4
74.16594	0.3
75.00887	0.4
83.01398	1.7
85.02960	1.8
88.98828	1.0
89.02447	1.7
95.01381	0.9
96.96014	4.7
99.00861	0.6
99.04585	0.7
101.02441	3.8
108.02148	1.0
109.02956	1.0
112.98569	0.8
113.02427	2.0
117.03470	0.4
121.02979	1.7
122.03763	1.0
123.04530	3.4
123.08115	0.5
124.01642	1.5
125.02442	1.0
135.04526	2.4
136.01720	0.6
137.02455	1.4
138.03241	2.3
139.04024	1.0
143.03487	0.5
147.04500	2.1
148.01671	1.4
149.02347	0.5
149.04510	1.0
151.04025	2.1
153.05571	1.6
159.03169	0.4
159.04486	0.8
161.02438	1.8
161.04558	0.8
162.03275	0.6
163.04030	3.4
171.08069	0.4
172.05328	0.4
173.06047	1.2
174.06813	1.1
175.03960	0.6
175.07561	0.6
177.09106	0.6
185.11746	0.6
186.06885	0.6
187.07613	1.1
188.03601	0.6
195.08145	0.4
197.06064	1.2
198.06841	0.9
199.03928	0.6
199.07660	1.2
200.04788	5.6
201.05545	1.1
207.13863	0.5
209.06134	0.4
210.06758	0.5
211.07637	1.9
213.05450	0.8
214.06215	0.6
215.07123	1.5
221.05957	0.4
223.07549	1.3
225.05548	1.3
227.07176	0.7
229.09795	1.0
233.08130	2.1
237.05511	0.8
238.06421	0.6
239.07104	4.1
240.04201	0.8
240.07898	1.3
241.04973	2.8
242.05798	0.7
253.04993	0.5
254.05898	0.7
255.06638	4.4
256.07324	1.0
265.05008	1.8
267.02997	1.4
267.06625	6.3
268.07236	0.5
269.04468	3.8
281.04626	0.7
282.05304	2.9
283.06122	10.2
284.06885	51.7
285.07162	2.8
291.12442	0.5
294.05643	0.6
297.07635	7.2
298.08377	7.2
299.09232	58.3
300.09485	3.3
309.07745	0.8
309.11215	0.6
311.05588	0.9
316.06113	0.6
319.09570	0.7
321.07617	0.7
325.06897	0.5
325.10602	0.6
335.09155	1.2
336.10010	3.2
337.10690	1.5
351.12344	10.1
353.10306	1.0
354.10779	0.5
368.12405	2.4
369.13394	100.0
370.09467	0.6
370.13766	6.5
389.36386	0.5
411.23828	0.5
441.15485	0.5
443.13425	0.7
513.17645	1.7
529.26282	1.8
573.13068	0.4
573.19617	10.2
573.28400	1.8
574.20593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.99309	1.6
61.98832	1.8
69.52118	3.5
71.01380	16.4
72.99310	0.8
73.02941	7.5
75.00890	0.5
77.06973	0.5
81.03455	0.6
82.11249	0.6
83.01381	1.8
85.02941	3.4
87.00881	0.9
88.98804	7.8
89.02443	10.5
95.01407	2.0
96.96011	3.7
98.20658	1.0
99.00898	1.2
101.02435	8.5
105.69955	0.5
113.02446	12.1
119.03514	2.3
131.03499	0.9
137.02689	0.5
143.03564	0.6
149.04532	0.8
161.04547	3.5
179.05618	1.2
186.71902	0.5
213.14436	0.5
270.20181	0.5
452.15778	0.6
467.30087	9.9
485.31085	7.0
527.32617	2.0
553.10272	0.9
571.12054	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	571.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51159	1.2
59.01378	100.0
61.98815	4.8
69.35297	5.7
69.35722	3.8
71.01386	12.8
72.04551	1.1
73.02953	6.2
75.70481	1.1
81.09554	1.1
81.14461	1.3
83.01379	2.4
83.92879	1.1
85.02952	8.0
87.04521	1.2
89.02460	2.4
95.01337	1.3
96.96020	3.9
99.00853	2.6
101.02435	5.8
113.02441	6.9
155.85912	1.2
159.02937	1.7
161.04553	3.2
204.97974	1.2
210.07108	1.1
287.12213	1.4
349.06961	2.1
467.30054	22.6
485.31161	10.0
553.09692	2.9
557.76831	1.4
571.10730	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	571.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00983	0.9
59.01377	100.0
61.98838	4.9
69.03457	1.0
71.01010	1.2
71.01382	19.1
72.99284	1.6
73.02946	9.3
78.95908	7.8
83.01374	3.2
85.02939	6.3
87.00883	0.9
89.02433	9.9
95.01356	2.2
96.95999	2.3
101.02439	10.6
103.22172	0.9
110.98544	5.5
113.02439	17.6
119.03474	3.4
125.02415	1.5
125.09727	1.2
131.03532	1.5
143.03473	0.9
145.95912	0.8
152.99562	3.4
159.90434	0.8
161.04584	5.3
167.01118	2.5
171.10262	1.8
179.05569	2.2
229.99010	1.1
233.15327	1.3
321.43585	1.0
377.06210	0.9
417.26059	1.7
435.27234	1.9
437.40594	1.0
467.30048	9.1
468.30197	0.9
485.31116	6.6
543.11401	1.1
553.09521	2.0
554.09924	0.9
571.10938	3.8
571.26636	13.7
571.35272	0.6
572.27112	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	571.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44353	0.9
57.03450	1.0
59.01376	5.7
60.56924	1.0
61.98820	2.3
62.93443	0.9
70.78261	1.7
71.01358	2.3
73.65054	1.0
74.41249	0.9
80.76819	1.0
83.01423	1.5
96.96005	1.7
108.02138	1.0
109.02927	1.2
113.02404	1.5
121.02956	3.6
123.04507	1.0
125.02448	1.0
133.02942	9.6
145.02936	2.1
179.24812	1.0
182.18994	0.9
189.09180	2.8
189.18243	0.9
201.09169	1.8
222.06699	1.1
223.07710	1.2
235.07567	1.2
239.07074	1.3
251.07068	1.2
252.04196	1.3
253.05106	2.3
254.05780	2.6
264.04181	1.1
265.04980	1.7
267.06577	13.1
268.07288	3.0
279.06573	9.6
280.07111	1.7
307.09506	1.7
308.10379	2.6
322.12036	18.4
323.12851	100.0
324.13309	5.5
377.06186	1.1
527.19104	8.8
553.10779	1.6
571.11395	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	571.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32135	0.2
59.01382	1.2
60.12136	0.2
71.01388	0.2
71.23051	0.2
73.65966	0.1
78.29884	0.1
78.95909	0.9
78.99908	0.2
79.75652	0.1
79.95735	2.8
96.96008	100.0
97.95958	0.2
98.20663	0.4
98.95637	0.2
114.93376	0.2
116.92829	0.2
147.90465	0.2
161.77008	0.2
248.92264	0.2
571.10864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68230	0.4
58.67099	0.4
59.01155	0.4
59.01382	4.9
61.98821	1.4
70.94184	1.0
70.96770	0.5
71.01395	0.8
85.93260	0.4
96.96011	2.6
101.02470	0.5
106.15479	0.5
107.05006	0.6
108.02158	2.1
109.02943	1.6
109.06540	0.6
121.02959	2.4
123.04468	0.5
133.02972	7.2
133.83015	0.4
135.04500	0.5
145.02919	1.4
146.03705	0.7
176.38071	0.4
177.09158	1.3
189.09245	2.2
197.06152	0.5
201.09215	2.0
209.06032	0.8
211.04042	1.0
223.07695	0.7
225.05551	1.3
237.05617	0.7
237.99948	0.4
238.06393	0.6
239.03387	0.5
239.07182	0.8
253.05083	3.5
254.05838	6.1
265.05008	1.8
267.06610	1.7
268.07361	1.4
279.13901	1.9
280.07349	1.9
281.11670	0.6
305.11905	0.7
308.10544	5.4
321.11316	1.0
323.12863	100.0
324.13211	6.7
348.85449	0.4
349.07159	0.7
553.09857	0.7
571.11224	1.9
572.12305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63387	0.5
58.63187	0.5
61.98809	1.1
78.95909	0.6
80.02679	1.2
88.44679	0.6
97.31502	0.5
98.20654	1.3
108.01469	1.1
108.02169	19.1
109.02927	1.5
121.02939	2.5
123.04519	32.1
124.04863	0.5
128.21840	0.5
142.17404	0.5
148.01665	8.0
163.03995	2.9
183.04593	1.0
211.03993	1.0
226.02742	0.7
227.03383	1.0
239.03438	3.9
241.05051	4.3
249.25623	0.6
254.05832	3.8
255.02968	100.0
256.03345	3.5
256.07315	3.9
257.08127	1.0
269.04498	1.4
269.08163	1.8
270.05316	32.1
271.05923	1.9
271.09726	7.3
272.06787	1.4
282.05362	1.9
284.06772	0.8
285.07663	96.3
286.08124	4.1
287.09219	18.2
288.09778	0.9
297.07666	0.7
358.04892	1.2
373.07416	2.6
387.08600	0.6
388.09229	0.9
389.09396	1.2
403.11877	4.1
420.11572	0.6
421.12915	3.0
447.11008	3.2
553.15411	0.9
571.16193	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06657	0.2
59.01386	0.5
61.98862	0.4
66.34496	0.3
71.24892	0.6
80.02679	1.2
85.04075	0.3
93.93784	0.3
97.02974	0.3
108.02168	23.8
109.02997	1.3
121.02943	3.6
122.03722	0.5
123.04520	34.6
124.04894	0.5
125.09708	0.7
148.01654	9.6
148.02844	0.5
151.04036	0.4
163.04001	3.6
181.87102	0.3
183.04425	0.8
187.09782	0.5
197.06015	0.3
199.03940	0.3
208.54019	0.3
211.03932	1.8
226.02663	0.6
227.03511	1.4
229.32004	0.3
236.08566	0.3
239.03496	4.0
240.03745	0.4
241.05066	4.4
254.05817	4.3
255.02965	100.0
256.03345	3.9
256.07318	3.7
257.04562	0.3
257.08105	1.5
266.02179	0.3
269.04501	1.4
269.08151	2.1
270.05307	35.9
271.06131	2.2
271.09708	7.3
272.06863	0.9
282.05273	2.3
284.06784	0.7
285.07657	99.7
286.08087	5.0
287.09232	19.8
288.09543	0.9
297.07626	1.2
345.07529	0.5
358.04828	1.0
373.07123	2.4
403.11838	3.6
419.11234	1.2
421.12894	2.8
447.10800	4.7
448.39737	0.3
509.15598	0.4
553.15356	1.9
571.16583	2.7
571.30280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01346	0.3
64.07623	0.3
68.46286	0.3
71.03794	0.6
80.02661	1.3
97.84580	0.3
108.02174	22.4
109.02934	1.2
121.02950	3.0
122.03754	0.4
123.04523	34.4
124.04861	0.5
125.69231	0.3
135.00897	0.4
148.01672	8.4
149.01939	0.3
161.09000	0.4
163.04021	3.1
167.03496	0.4
183.04512	0.8
197.06075	0.6
199.04022	0.3
211.03926	1.8
213.05473	0.4
222.43152	0.3
226.02798	0.4
227.03587	1.6
239.03455	4.1
241.05078	4.6
254.05817	4.3
255.02968	100.0
256.03351	3.9
256.07361	2.9
257.08179	1.9
267.02618	0.4
269.04486	1.2
269.08078	2.0
270.05310	34.8
271.05905	2.5
271.09689	7.2
272.06818	1.1
272.09708	0.4
282.05222	2.3
284.06915	0.5
285.07663	98.1
286.08051	4.9
287.09229	20.1
288.09586	0.8
297.07693	1.5
345.07568	0.5
358.04865	1.1
373.07028	2.2
388.09506	0.7
403.11844	3.6
419.11270	0.7
421.12875	3.8
447.10803	3.0
509.15717	0.6
553.15588	2.0
571.16730	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	571.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92807	0.7
56.46707	0.8
63.34767	0.7
67.68272	0.7
69.21823	7.8
72.55492	0.7
96.95975	1.2
103.47842	0.6
108.02168	57.4
109.02963	10.7
151.04100	1.2
152.01141	50.6
153.01930	22.0
153.07503	0.6
153.16483	0.7
156.67743	0.8
163.04021	1.1
176.75111	0.9
184.58736	0.8
251.21613	0.8
285.06137	100.0
286.06522	4.8
295.11639	0.8
335.11331	0.9
440.06149	0.9
446.73511	0.8
480.05353	0.8
486.56274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21809	4.0
98.20708	1.0
108.02168	62.5
109.02965	11.5
116.82265	0.5
123.04597	0.5
133.02951	0.9
151.03966	1.2
152.01146	48.9
153.01936	24.3
165.01863	0.9
208.21808	0.5
259.71063	0.6
285.06134	100.0
286.06595	4.2
475.96924	0.5
477.25363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
59.01375	5.0
61.98793	0.8
71.01365	1.8
73.02927	0.7
83.36602	0.6
85.02943	0.9
88.16350	0.5
92.07946	0.5
93.03450	1.9
96.96000	13.4
98.19781	1.3
101.02438	1.1
115.62283	0.7
117.03464	5.1
127.00337	0.7
135.04539	0.8
149.02492	0.6
157.02930	0.7
159.04456	0.8
161.02423	3.8
163.04036	0.6
174.01656	2.7
175.04024	1.4
176.00923	0.6
177.01903	0.9
185.02452	0.7
187.03946	1.5
189.01947	3.7
191.03348	1.0
199.03961	1.0
201.01912	1.0
201.05496	0.6
203.03476	1.9
205.01286	1.0
205.05034	0.6
209.06015	0.7
215.03448	2.4
217.01260	0.7
227.03564	0.7
229.05034	0.8
231.02986	2.8
243.02982	1.0
251.07088	1.0
257.00839	0.9
259.02472	2.0
279.06567	0.9
281.04553	1.2
283.06165	2.7
293.04428	0.8
294.05310	0.7
295.06067	10.6
296.06702	1.5
307.06055	8.8
309.04187	0.6
309.07492	0.7
311.05719	1.8
321.04135	1.2
321.07520	2.6
322.04691	1.9
323.05612	9.2
323.09299	1.0
324.06192	0.9
328.05963	0.9
333.04150	0.9
333.07431	3.0
335.05524	2.3
337.07257	0.8
349.07126	8.5
350.03986	1.3
351.05035	17.4
352.05457	1.2
353.06448	1.1
356.05301	0.7
361.07043	4.3
363.05081	1.8
367.08289	1.2
373.25842	1.1
377.06644	16.8
378.07095	0.8
379.08386	2.9
381.05994	1.3
389.07062	0.8
391.08212	0.7
395.07712	6.9
405.06122	13.7
407.07660	1.5
423.07294	1.5
425.08984	0.7
433.05499	1.1
443.09851	1.7
451.06564	3.5
469.11169	1.1
471.09247	16.6
472.10153	0.7
499.08597	0.9
515.12067	1.2
525.10461	5.5
526.10803	1.0
543.11462	5.2
553.09924	15.4
554.10028	1.3
571.10858	100.0
572.11176	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	571.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
59.01370	1.3
69.28267	3.0
71.01385	1.6
73.02937	0.5
79.95729	0.3
83.01369	0.5
85.02969	0.4
87.00878	0.5
89.02459	0.3
93.03441	1.2
96.96003	7.6
98.19843	0.6
101.02436	0.7
109.95176	0.4
114.88770	0.3
117.02010	0.3
117.03452	5.9
118.96017	0.4
119.05008	1.3
119.50192	0.3
119.86903	0.3
123.04534	0.4
127.00355	1.4
133.02992	0.4
135.04492	0.7
140.50031	0.3
143.05017	0.4
145.02893	0.6
147.04506	0.6
149.02417	0.9
149.51067	0.3
151.15544	0.3
158.03763	0.5
159.04491	1.4
161.02432	2.5
161.06084	0.7
163.03987	0.6
171.04488	0.4
173.02461	0.8
173.06041	0.5
175.04012	1.6
177.01904	1.0
185.02451	0.6
185.06084	0.5
187.04024	1.9
189.01892	1.4
189.05511	1.0
191.03474	1.2
197.06015	0.4
199.03995	1.0
200.19209	0.4
201.01912	1.1
201.05557	0.7
203.03500	2.8
204.00581	0.8
205.01303	0.5
205.05060	1.1
213.05566	0.5
214.02672	0.4
215.03438	1.5
217.01469	0.7
217.05063	1.2
219.02780	0.4
223.07552	1.0
225.05444	0.5
227.03427	0.6
229.05035	0.4
230.02095	0.5
231.03003	2.0
233.04538	1.4
234.06712	0.4
235.07559	0.5
237.05589	0.8
239.06963	0.4
241.05107	0.3
243.02956	1.0
245.04515	2.2
249.05582	0.4
250.06215	0.4
251.07187	1.7
252.04111	0.4
253.04993	0.4
257.04477	0.4
259.02368	0.8
259.06046	0.4
261.03775	0.4
262.06281	0.5
263.07019	0.9
265.05084	1.0
266.05710	0.7
267.06589	1.1
269.04254	0.5
273.04077	0.8
277.04980	0.9
277.08466	0.6
278.05832	0.9
279.06583	2.0
280.03717	0.4
281.04526	1.5
283.06055	2.2
287.05569	0.9
289.03775	0.3
290.06003	0.6
291.06586	0.6
292.07364	0.5
293.04562	1.7
293.08197	1.2
294.05341	0.8
295.06076	7.2
296.06744	1.0
297.07602	1.1
303.06418	0.5
304.07764	0.5
305.04510	2.1
305.08124	1.0
306.05261	1.4
307.06088	7.9
308.03125	1.3
308.06458	0.7
309.04309	0.6
309.07477	1.6
311.05649	1.7
317.07745	0.5
319.06104	2.5
320.06683	1.6
321.03964	1.4
321.07568	12.5
321.11456	0.6
322.04730	2.8
322.08139	0.7
323.05615	6.8
323.09317	1.2
324.06027	0.3
325.07281	0.8
328.05750	0.9
331.06174	0.6
333.07654	1.8
334.04663	0.5
335.05606	4.9
335.09198	0.5
336.06128	0.5
337.07172	2.7
339.08847	0.5
341.06592	0.7
345.07422	0.4
347.05591	1.3
348.06345	1.1
349.07144	38.7
350.03802	0.6
350.07712	2.2
351.05029	10.1
351.08823	1.4
352.05597	1.7
353.06525	1.3
356.05014	0.4
361.07071	2.9
363.04929	3.7
363.08566	0.4
365.06601	1.1
366.07040	0.5
367.08188	1.6
373.06589	0.5
376.05780	0.4
377.06641	10.2
378.07071	0.6
379.08200	17.5
380.04758	0.6
380.09058	0.6
381.06055	3.9
389.06400	0.7
391.08319	1.9
393.06058	0.5
395.07678	5.1
397.09030	0.5
403.08203	0.6
405.06070	2.0
407.07690	8.2
408.08017	0.5
409.09235	1.0
419.07635	0.5
421.09106	0.8
423.07245	1.3
425.08713	2.8
427.10284	0.7
433.05463	3.8
435.07053	1.0
437.08685	0.5
443.09747	3.1
451.05896	1.8
453.08182	1.1
463.06689	1.7
469.11380	12.7
470.11603	0.5
471.09241	16.0
472.09634	0.8
479.09781	0.6
481.07599	0.5
497.10907	3.8
515.12030	1.7
525.10425	3.5
526.10315	0.4
527.12115	0.8
535.09314	0.5
543.11444	7.5
553.09851	49.1
554.10284	3.4
571.10876	100.0
572.11115	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	570.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80214	0.1
55.01854	0.1
57.03448	0.1
59.01376	0.9
61.98826	100.0
66.50338	0.1
69.88615	0.5
71.01372	0.8
72.66412	0.1
73.02928	0.2
74.03650	0.1
85.02945	0.4
89.02442	0.2
96.96016	0.2
99.11395	0.1
101.02443	0.3
104.14948	0.1
113.02440	0.2
134.29506	0.1
154.08698	0.2
167.51933	0.1
186.35199	0.1
191.33272	0.1
373.96451	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	569.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23194	0.3
52.66024	0.3
55.61019	0.3
57.29095	0.3
59.01376	8.9
61.98826	10.2
65.03947	0.5
68.99554	0.5
71.01364	2.0
72.34151	0.2
72.99307	0.5
73.02937	1.7
78.40421	0.3
82.95411	0.7
83.01399	2.0
85.02933	0.7
88.98784	0.8
89.02441	0.7
93.03452	53.6
94.03793	0.9
95.01373	0.3
96.96004	1.9
99.00861	0.5
101.02424	2.2
110.56362	0.3
112.98579	0.6
113.02444	1.1
116.92905	0.3
125.02402	0.5
125.33031	0.3
137.02434	100.0
138.02788	2.0
151.04021	0.4
153.01848	0.4
162.04359	0.3
167.10771	0.7
209.11755	0.3
220.99515	0.3
225.15031	0.5
227.12933	2.6
251.12810	0.4
269.04468	1.5
269.13876	1.6
287.14978	3.9
311.15192	0.5
321.11929	0.3
329.15964	0.5
371.17029	0.8
407.56134	0.3
431.19183	6.4
551.00616	0.3
569.22571	1.4
569.32428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32373	0.7
52.80188	0.8
71.55360	0.9
71.55742	1.0
71.80165	0.8
74.64005	0.7
98.99224	0.9
104.73524	0.9
108.02167	6.4
115.00166	0.8
123.04520	9.4
125.09748	1.8
137.51874	0.7
160.70485	0.8
167.03476	4.9
171.10260	2.1
211.03973	4.9
222.63448	0.8
224.04601	0.8
239.03465	25.8
239.07062	1.0
254.05826	44.1
255.06120	2.2
262.60297	0.8
269.08157	53.4
270.08566	1.9
298.06186	0.9
309.85303	0.8
313.05075	4.2
316.07419	0.9
318.04849	0.7
329.04480	6.4
342.05283	2.3
343.05997	3.3
344.06668	4.1
357.03973	54.5
357.07782	19.0
358.04333	3.0
358.08316	1.5
359.09158	10.1
372.06329	67.5
373.06818	5.5
375.08728	3.1
387.08704	100.0
388.09268	5.2
401.06720	3.6
419.11322	91.4
420.11719	5.7
431.07559	4.0
569.14453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41201	1.7
57.71966	1.9
59.01382	15.7
61.98835	1.9
65.03969	2.7
67.01910	1.9
68.99831	2.2
69.87975	4.0
69.88387	6.0
71.01372	3.6
96.95980	4.5
109.02965	9.0
110.00089	10.4
119.04902	2.1
123.00890	2.6
124.01649	18.3
137.99614	3.1
139.04005	27.1
140.24971	2.1
154.04268	2.0
158.03665	2.1
160.06531	1.8
161.02458	1.9
163.00392	1.8
165.99048	8.5
169.02931	3.0
170.03807	2.7
171.04468	9.4
171.75803	1.7
172.05217	2.3
173.02377	4.1
173.06079	3.0
177.99007	2.6
182.03691	4.6
183.04459	3.0
185.02449	2.5
186.03233	4.3
196.05368	2.9
197.02377	2.4
198.03145	6.4
199.04015	2.0
200.04877	2.3
201.01978	2.7
210.03183	17.6
211.03925	4.2
212.04834	8.7
213.01869	3.4
213.05528	7.2
214.02734	2.0
215.03526	2.5
223.03979	2.7
224.47849	2.1
225.05537	2.3
226.02609	5.6
227.03513	5.3
239.03456	3.8
240.04251	8.8
241.01299	6.7
241.05042	5.4
242.02112	2.4
251.03369	3.4
253.04918	2.1
254.02232	5.8
255.02980	2.4
255.06561	2.9
256.03745	9.2
267.03052	2.1
267.06366	1.8
268.03589	2.8
269.04462	5.6
270.02414	2.6
270.05261	19.0
271.06042	6.6
282.01685	9.7
282.05084	3.5
283.06104	39.2
284.03238	9.0
284.06430	3.2
285.07666	23.8
297.00128	2.0
297.04138	3.0
297.07593	5.2
298.01074	2.7
310.01227	10.6
311.01788	4.2
312.02716	7.9
313.03528	3.4
323.02338	2.0
324.99838	2.7
330.08636	4.1
340.02188	9.7
357.07578	4.2
358.08337	7.4
368.11792	1.8
368.69598	1.9
386.07938	9.3
387.08762	3.3
401.06802	2.4
402.07458	3.2
403.08423	2.3
414.07425	25.4
415.08093	6.4
416.09052	3.9
417.09790	16.7
429.09811	100.0
430.10153	8.4
444.08453	21.3
445.09235	12.3
459.10773	73.0
460.11389	15.3
522.09625	5.9
537.11963	14.3
554.11920	6.9
569.14423	51.4
570.14813	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	568.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33806	0.1
58.95267	0.1
59.01379	1.5
61.98827	100.0
62.98515	0.1
71.01402	0.2
71.58121	0.2
73.02942	0.1
78.95924	0.1
96.96056	0.3
99.00879	0.1
101.02436	0.3
113.02487	0.1
141.01801	0.1
221.48857	0.1
258.05374	0.2
265.74368	0.1
285.07547	0.2
508.35519	0.1
588.26453	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	568.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	62.4
70.02968	10.0
71.01368	33.1
72.99305	54.2
75.00887	20.2
78.11016	2.7
79.05522	6.0
81.48833	2.5
83.01400	2.7
85.02931	3.0
89.02442	55.9
91.05539	4.9
93.03445	2.7
95.04996	5.6
96.39117	3.5
96.95988	8.0
97.02938	2.8
97.06570	17.8
98.19938	6.5
99.00886	22.7
101.02448	2.4
105.07094	5.0
107.04997	7.1
108.02165	3.9
109.06585	6.1
110.34221	2.6
111.08150	13.8
112.98806	16.1
114.01973	42.6
115.00327	3.9
117.01945	63.5
117.03391	5.8
120.05836	4.7
121.06562	16.3
123.04507	3.1
123.08187	4.8
124.01638	4.2
124.98809	4.4
125.06074	19.4
134.06116	6.5
135.02980	14.4
135.04460	7.4
135.08180	3.5
137.02499	3.7
137.06065	5.3
139.07634	14.1
142.98700	5.2
142.99846	100.0
148.59566	2.5
149.06068	18.2
153.05566	37.3
155.07159	2.5
164.26857	3.0
166.06383	3.1
167.07140	47.8
171.06621	11.4
173.00905	54.0
174.01683	60.1
181.08667	14.9
183.06525	5.1
193.05016	25.0
196.07143	2.8
209.08095	4.7
211.06134	14.1
213.07674	3.0
225.07660	58.6
232.06149	26.1
240.76988	2.7
242.40010	2.7
253.07098	6.2
264.08841	7.9
271.08243	25.4
283.05963	3.0
303.10889	7.7
480.81833	3.6
488.69455	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	567.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57517	1.9
55.01863	2.6
59.01378	83.8
61.98537	2.6
61.98832	39.1
69.64300	10.1
71.01009	2.1
71.01381	25.5
73.02957	9.4
83.01350	3.8
85.02939	11.4
87.00875	2.1
89.02444	10.9
95.01370	4.2
96.96003	13.7
99.00845	3.1
101.02443	22.3
103.26256	2.1
111.45945	1.9
113.02448	12.9
119.03487	3.8
122.02444	2.6
123.00900	2.3
124.39466	2.0
124.70646	2.1
133.92722	1.9
159.03000	2.0
161.04514	6.6
161.21440	2.0
345.30054	9.7
348.43909	2.2
439.86282	2.3
507.35291	100.0
508.35654	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	565.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03162	0.3
57.03446	5.3
58.00587	0.5
59.01379	100.0
60.01713	1.0
60.06570	0.2
61.98824	1.8
68.99849	0.2
69.03454	1.4
71.01381	17.9
72.99294	1.0
73.02942	6.5
75.00877	0.5
81.03451	0.3
83.01389	4.0
85.02947	10.8
85.06568	1.0
86.00109	0.4
87.00899	1.4
87.04512	0.3
88.98784	1.2
89.02441	3.3
95.01395	2.8
96.96017	0.9
97.02970	0.9
98.19832	0.5
99.00874	2.3
99.04511	0.5
99.08189	0.2
101.02440	11.6
108.02181	0.3
109.02957	0.4
109.06595	0.3
111.00858	1.1
112.01691	0.5
113.02448	10.2
113.99623	0.2
114.02802	0.3
115.00352	0.2
115.04000	0.4
116.92860	1.4
119.03515	1.2
121.02938	0.3
122.03709	0.3
123.04520	0.5
124.01678	0.4
125.02432	1.6
128.84778	0.2
129.01936	0.3
131.03505	0.4
133.05078	0.4
134.03780	0.4
137.02446	0.4
137.09810	0.2
143.03481	2.0
143.10796	1.9
149.02415	0.7
150.03207	0.9
151.03946	0.3
151.06151	0.5
153.01961	0.9
159.02988	1.1
160.01672	0.4
161.04550	2.5
163.04050	0.4
165.01956	0.3
165.04335	0.2
165.05528	1.4
166.06363	0.3
171.13942	0.3
173.11858	0.3
174.01677	0.5
175.04019	0.4
179.03497	0.6
179.05588	0.3
181.08762	0.3
195.06596	0.7
199.17024	0.2
205.05055	0.4
209.11798	0.4
211.17082	0.4
229.18065	3.2
241.18259	0.2
273.24316	0.3
284.03192	0.5
285.03726	0.7
286.03928	0.5
287.04913	0.3
295.10391	0.7
299.05695	0.6
300.06174	0.3
301.06265	0.7
311.09161	0.3
313.11435	0.7
315.25354	2.3
316.08478	0.2
343.28525	1.0
355.12582	0.3
361.16324	0.7
361.29572	11.8
362.29944	0.5
369.13272	0.3
385.08475	0.3
403.30804	0.5
433.20450	0.5
437.34674	0.3
457.31631	1.0
469.31683	0.4
475.32654	1.1
487.33435	0.3
505.33789	90.4
506.34109	6.9
517.18256	0.4
521.26172	0.4
523.21863	1.1
523.34833	29.8
524.35034	2.2
536.91907	0.3
547.24225	0.5
565.24884	4.5
565.35828	6.4
566.25458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03445	7.1
58.00607	0.4
59.01377	94.2
59.89200	0.2
60.01704	1.0
60.99303	0.8
61.98830	3.5
68.62361	0.2
68.99809	0.2
69.03460	1.7
70.84531	0.5
71.01380	16.4
71.05019	0.8
72.01765	0.2
72.99290	1.1
73.02945	4.8
75.00834	0.5
81.03489	0.2
83.01385	4.4
83.05040	0.3
84.72995	0.2
85.02947	10.3
85.06589	1.1
86.00094	0.7
87.00863	1.8
87.04520	0.3
88.98809	6.0
89.02425	1.4
95.01385	3.3
96.96008	0.7
97.02956	1.3
99.00876	1.8
101.02441	11.0
102.02775	0.2
108.02132	0.3
111.00877	2.1
112.01659	1.3
113.02445	8.6
114.02782	0.3
115.03996	0.5
116.92902	0.3
119.03531	0.5
121.02956	0.4
123.04530	0.4
123.32494	0.2
124.01651	0.7
125.02431	1.7
125.09741	0.2
127.07647	0.2
127.11284	0.2
129.01959	0.6
129.09273	0.4
134.03772	0.2
137.02451	0.5
139.11319	0.7
143.03476	1.5
155.10832	0.6
157.12318	2.4
157.13362	0.2
159.02974	1.0
161.04578	1.6
164.03436	0.2
165.01855	0.2
165.05585	0.3
173.11818	1.4
185.15414	0.4
209.15518	0.4
211.16965	0.2
229.18069	2.6
285.04160	0.6
301.10822	0.3
313.27261	0.3
315.25327	2.0
327.25256	0.3
343.28506	1.2
359.28137	0.6
361.29565	14.6
362.29932	0.9
373.29587	0.3
403.30829	0.3
431.30188	0.4
457.31750	1.2
458.31802	0.2
469.20776	0.2
469.31772	0.4
475.32687	1.1
487.32513	0.3
503.08582	0.4
505.33801	100.0
506.34091	7.3
523.34821	28.8
524.35187	1.7
565.35938	9.5
566.36566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67908	0.1
51.98707	0.2
55.01874	1.3
57.03448	12.2
58.00602	0.2
59.01378	81.7
60.01713	0.5
61.98829	4.4
67.01877	0.2
68.99833	0.2
69.03457	2.2
69.70377	0.9
71.01381	15.4
71.05018	0.1
72.01751	0.2
72.99300	1.1
73.02948	4.6
75.00867	0.4
81.03458	0.4
83.01385	5.9
85.02950	11.2
85.06595	0.7
86.00103	0.7
86.03283	0.2
87.00863	1.5
87.04530	0.6
89.02443	1.0
95.01385	2.6
96.96025	0.6
97.02961	1.5
98.19817	0.2
99.00880	2.6
101.02442	10.6
102.02750	0.2
111.00863	2.1
112.01648	1.2
113.02444	6.8
114.02878	0.3
114.96723	0.2
115.04042	0.5
123.04510	0.5
124.01662	0.5
125.02457	2.0
125.09718	1.6
127.07642	0.4
128.03516	0.2
129.01967	0.4
129.09183	0.3
131.10800	0.2
137.02451	0.4
137.09677	0.3
137.84468	0.2
141.01889	0.2
141.12877	0.8
143.03471	1.2
143.10750	0.3
153.05595	0.6
155.10771	0.9
159.03030	1.2
160.01738	0.2
161.04546	1.5
165.12871	0.2
171.13902	5.1
171.15297	0.3
172.14203	0.2
173.11807	3.5
181.15999	0.2
183.13957	0.3
185.15495	1.3
186.71628	0.2
197.60716	0.2
211.16953	0.3
315.18231	0.4
315.25345	0.8
329.19681	0.2
333.19012	0.4
343.28534	1.0
361.29562	11.9
362.30020	0.5
373.29523	0.2
403.30670	0.3
431.30130	0.3
457.31638	1.2
461.31186	0.5
469.32040	0.5
475.32739	1.0
477.31131	0.2
487.32852	0.5
505.33792	100.0
506.34128	8.6
523.34839	30.2
524.35175	2.5
565.15179	0.3
565.35846	10.1
566.36145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73672	0.7
55.01884	1.5
57.03433	4.0
59.01378	100.0
60.01706	0.8
60.40608	0.6
61.98832	13.7
70.83636	1.4
70.83970	1.4
71.01378	22.8
72.99323	1.2
73.02937	7.8
75.00877	1.0
83.01378	6.4
83.83258	0.7
85.02954	13.3
86.00075	1.0
87.00865	1.8
88.98817	2.5
89.02437	4.1
95.01395	1.7
96.96017	2.7
97.02974	1.2
99.00860	4.3
101.02434	13.0
109.03019	0.9
111.00891	2.1
113.02444	12.1
115.03944	0.9
116.92833	0.9
119.03511	2.6
125.02467	2.1
129.09221	5.6
139.00412	0.8
141.37547	0.7
143.03549	2.3
150.11034	0.7
153.01997	2.7
153.05617	0.9
159.03015	1.4
161.04582	4.2
171.13924	0.8
179.05627	1.2
185.15465	0.7
208.23402	0.8
213.18620	1.6
220.11557	0.7
311.05750	1.0
315.25372	0.8
317.26923	6.1
318.27234	1.1
361.29727	1.0
413.08829	1.2
413.29077	1.3
461.31177	78.1
462.31482	5.7
479.32227	21.8
480.32523	1.0
482.42584	0.8
505.33710	23.7
506.34235	1.1
521.33209	5.0
523.34949	2.4
544.28821	1.1
565.13654	1.2
565.35962	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	565.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.2
60.24440	8.0
61.98823	15.5
66.86748	8.5
70.14542	33.7
71.01409	10.3
71.53326	9.5
72.30356	9.8
73.24956	9.4
96.96008	100.0
98.20625	19.1
99.00903	10.2
207.99631	10.0
216.05373	11.6
253.09123	22.5
278.04834	10.7
291.19528	14.0
293.21298	38.7
318.94315	9.7
368.45291	9.7
471.61911	9.6
540.58234	11.0
557.84155	11.0
565.14795	18.6
565.27454	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03436	3.9
59.01377	100.0
61.98831	12.1
68.99833	0.9
69.03469	0.9
69.48650	4.0
71.01382	19.9
72.99308	1.6
73.02939	7.1
75.00883	0.9
80.91653	0.7
83.01383	6.3
85.02948	12.0
86.00094	1.4
87.00893	2.1
88.98820	2.6
89.01991	0.6
89.02439	3.9
94.91170	0.7
95.01404	2.5
96.96024	3.0
97.03041	0.7
98.20437	2.4
99.00880	3.2
101.02435	12.6
109.02949	1.1
111.00870	1.5
112.01715	1.1
113.02447	9.3
113.03162	0.9
119.03542	1.6
123.04565	1.2
125.02477	2.3
129.09212	3.7
135.04474	0.8
141.01791	0.7
143.03535	2.8
153.01961	3.0
153.05632	1.0
159.03014	0.6
161.04546	3.3
171.13933	1.9
179.05710	0.7
185.15479	1.2
198.09816	0.7
213.18564	1.8
237.15596	0.8
298.04807	0.7
315.25354	1.5
317.26898	5.8
461.31189	76.8
462.31534	5.4
474.46161	0.8
479.32233	21.3
480.32712	1.5
505.33725	15.6
521.33289	5.4
523.34869	1.6
543.78326	1.1
544.28705	0.8
565.14185	1.3
565.27576	1.2
565.35999	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	565.2289
Annotation	5alpha-Decinnamoyltaxigifine
Peak:m/z	Relative Intensity
55.01872	1.3
55.26622	0.3
57.03452	1.6
58.00586	0.9
59.01377	32.9
61.98838	1.5
67.01865	0.4
69.03454	0.7
69.20139	3.3
71.01380	18.7
72.99319	2.1
73.02946	4.3
81.03454	0.6
83.01382	2.9
83.08936	0.3
85.02945	10.2
86.00130	0.6
87.00883	2.6
88.98824	0.5
89.02438	4.5
90.98580	0.3
91.04038	0.4
93.03433	0.8
95.01390	3.4
97.02951	1.3
98.20801	0.5
99.00887	1.4
101.02441	7.1
108.02180	0.9
109.02933	3.9
111.00895	0.5
113.02448	10.5
119.03489	1.1
119.04975	0.3
120.12080	0.3
121.02950	10.3
122.03741	9.9
123.04537	2.4
124.01655	1.1
125.02431	1.5
127.06136	0.3
129.01932	0.3
129.03459	0.6
134.03726	1.1
135.04544	1.9
136.05292	1.2
137.02446	1.8
142.43906	0.3
143.03506	0.8
146.03714	1.0
147.04512	6.3
148.05328	0.6
149.06062	1.2
150.03224	0.5
151.03970	0.3
153.01871	0.5
154.02687	1.3
159.04579	0.4
160.05304	0.6
161.04617	0.8
161.06071	3.9
162.06822	1.3
163.03979	0.9
164.04837	0.7
165.05560	17.1
166.05894	0.5
168.04283	0.5
173.06067	1.1
174.06822	0.7
175.07605	1.5
176.08420	0.4
178.06369	0.7
179.07130	4.9
189.09132	0.4
190.06349	0.4
191.07135	1.7
193.08696	0.4
205.08669	0.5
209.08243	0.7
223.09721	0.7
255.06712	0.3
283.09665	0.7
297.11307	0.5
298.12042	2.5
299.05557	0.6
299.12457	0.6
305.33066	0.3
311.12732	0.6
313.11099	0.4
313.14465	4.9
313.17896	0.6
314.14783	0.4
315.12457	1.5
316.13181	0.8
328.13171	3.2
329.13873	1.3
331.15488	0.7
343.15494	8.7
344.15887	0.4
346.14200	7.2
347.14920	1.9
361.16537	49.9
362.16852	2.4
403.18286	0.4
409.61615	0.3
415.42679	0.4
417.19934	0.4
431.16763	0.4
457.18741	0.3
475.19577	0.8
475.54324	0.3
505.20767	100.0
505.33459	3.5
506.21075	8.4
523.21826	42.5
523.34705	1.2
524.22089	3.8
565.14539	0.5
565.22998	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	565.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12935	0.1
59.01381	1.1
61.98829	2.1
67.79954	0.1
68.52432	0.1
71.01379	0.4
73.02939	0.2
85.02976	0.2
88.98838	0.2
89.02431	0.2
93.03461	1.3
96.95999	1.6
98.19875	0.4
99.00917	0.2
99.04526	0.2
101.02460	0.2
108.02180	0.5
109.02944	4.5
111.04535	0.2
113.02452	0.3
113.99574	0.5
115.00352	0.2
116.92857	0.9
119.05014	0.4
121.02948	13.0
122.03739	11.9
123.00916	0.2
123.04559	1.9
124.01661	1.2
129.03423	0.7
134.03772	0.8
135.04514	2.1
136.01636	0.2
136.05299	1.2
137.02437	2.0
143.04997	0.1
145.02931	0.2
146.03732	0.8
147.04509	5.9
148.05220	0.6
149.06067	1.3
150.03218	0.4
151.03983	0.2
153.01918	0.2
153.05573	1.0
154.02721	1.8
159.04553	0.3
159.28590	0.1
160.05252	0.4
161.06062	1.8
162.06825	0.4
163.03999	0.4
164.04771	0.4
165.05556	24.2
166.05910	0.6
167.03494	0.5
168.04317	0.3
173.06036	0.3
174.01666	1.8
175.02351	0.1
175.07634	0.6
176.08299	0.2
177.05547	0.2
178.06384	0.7
178.07700	0.1
179.07118	7.6
180.07503	0.4
191.07152	0.6
193.05133	0.3
193.08728	0.3
203.06903	0.2
208.07397	0.3
209.08112	1.0
223.09740	0.8
229.79643	0.2
253.05035	3.4
254.02715	0.3
254.05382	4.9
255.05757	0.2
285.11353	0.1
298.12027	0.8
301.10629	0.3
312.63956	0.1
313.14487	1.0
315.12338	2.8
316.12982	0.8
317.13950	0.2
329.14120	0.2
330.14301	0.3
331.14963	0.8
336.21436	0.1
343.15518	0.4
344.12430	0.2
345.13388	0.3
346.14160	9.2
347.14621	0.5
361.16528	100.0
362.16846	6.2
461.27252	0.1
469.20624	0.3
505.20691	0.3
511.21445	0.2
521.25995	0.2
529.22583	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	565.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.7
60.13815	0.6
70.01266	0.5
71.01391	3.4
71.58849	1.0
72.99296	0.7
83.01317	0.6
85.02934	0.7
89.02441	1.2
93.03443	3.7
93.15475	0.6
98.32051	0.6
101.02468	0.8
105.68403	0.6
108.02139	0.7
109.02966	0.7
113.02425	1.0
115.00361	2.8
122.03766	0.6
123.04517	0.8
133.01442	6.3
134.03693	1.1
135.04509	2.1
136.01709	1.2
137.02409	1.6
138.03200	3.5
145.02951	0.8
148.01666	1.7
149.02438	12.1
151.04021	5.6
152.01231	0.6
153.04433	1.1
153.05565	10.2
163.00374	0.9
163.03998	8.5
164.01089	0.8
165.04047	1.2
167.03499	0.7
177.01924	9.5
178.02693	14.6
179.03206	0.7
181.01367	1.2
181.05081	1.1
184.49863	0.7
192.04329	1.5
193.05042	36.3
194.05377	0.7
195.02917	2.9
208.05298	0.6
209.04416	0.6
211.06088	1.1
224.04791	12.2
237.05540	1.0
238.06339	3.9
239.07169	5.1
243.06505	0.9
252.04317	5.6
253.05084	1.5
254.05981	1.2
255.84021	0.5
267.06580	16.3
268.07068	0.6
269.08304	3.4
283.11020	1.3
299.09329	0.9
309.08652	1.2
317.10275	100.0
318.10617	4.2
327.09631	0.6
361.16486	1.7
385.09912	1.0
403.11520	2.4
431.09769	1.3
445.12280	1.3
505.14502	3.5
521.16736	0.7
521.25909	1.7
565.16504	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	565.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56355	0.8
59.01392	3.5
61.98817	1.1
69.45499	3.8
70.88132	0.7
71.01380	11.4
72.99298	2.0
78.23192	0.6
89.02445	5.6
93.03440	1.5
96.96012	1.7
98.95663	0.8
104.43243	0.7
109.91580	0.6
117.03473	4.9
119.05022	1.2
133.01424	14.0
135.04512	2.3
147.04547	1.5
149.02295	1.0
159.04527	1.0
161.02438	2.6
163.04021	1.4
175.04018	1.0
177.05548	1.6
189.01935	1.0
191.03506	1.2
192.59717	0.9
197.06023	1.4
200.36256	0.8
203.03522	1.8
205.05072	1.1
221.04559	1.4
224.08221	1.0
233.04604	0.9
251.07069	0.8
267.06619	1.4
268.07541	0.8
269.04556	1.4
281.04538	3.0
282.05273	2.5
283.06125	11.4
295.06030	5.1
296.06821	2.3
297.07635	19.0
297.11029	1.1
307.06207	1.9
309.07758	2.5
311.05618	24.7
312.05844	1.1
323.05557	3.3
325.07126	9.4
328.05869	2.3
335.05435	1.7
337.07220	2.7
341.06531	6.3
351.05106	0.9
353.06641	53.0
354.07047	2.7
355.08020	2.0
356.05527	0.8
365.06537	5.8
383.03024	1.5
383.07730	20.7
384.07797	0.8
395.07706	2.6
413.08917	1.9
415.21515	0.8
425.08771	1.3
425.61172	0.7
431.09808	35.7
432.10120	2.7
473.10864	100.0
474.11206	7.4
503.12030	4.3
529.09937	1.5
547.10999	4.6
549.62189	0.8
565.11804	9.9
566.12555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79362	1.2
56.72443	1.4
57.00234	1.3
58.98135	1.2
59.01377	26.9
61.98831	5.5
63.42160	1.2
69.24908	9.4
69.25327	3.2
71.01376	5.3
73.02940	1.2
76.83170	1.2
78.95903	14.1
80.02705	1.4
89.02428	1.3
96.76575	1.3
96.95996	6.9
96.96966	3.3
98.20669	2.8
101.02441	4.3
102.68213	1.3
108.02166	26.9
112.57865	1.3
113.02407	1.7
116.92855	1.5
123.04523	21.7
139.78090	1.2
147.09253	1.3
167.03481	100.0
168.03943	1.5
170.72865	1.3
181.05013	5.3
190.81357	1.4
209.04510	14.4
209.49411	1.1
322.45053	1.3
371.09552	3.2
505.33792	1.9
565.14551	2.9
565.28552	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	565.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.7
60.41109	0.9
61.98835	2.4
71.01379	18.8
72.99309	3.4
73.02967	1.7
75.00871	1.4
79.01921	1.0
83.01395	1.7
85.02985	1.0
87.00918	0.9
89.02441	10.0
93.03468	3.8
95.01394	1.1
96.96033	2.6
97.02966	1.2
101.02428	2.6
107.01395	2.2
113.02480	2.7
115.00362	1.8
117.03455	9.4
119.05013	8.8
121.02972	2.0
125.02473	3.1
133.01424	21.5
133.02969	1.7
135.04544	3.6
137.02480	2.0
143.05086	1.2
145.02980	1.8
147.04512	1.3
149.02501	3.0
149.06099	1.0
151.00365	1.7
151.04060	1.3
159.04562	2.2
161.02484	3.5
163.04086	4.0
164.04839	0.9
165.01971	3.1
165.05551	1.0
167.03496	2.4
173.06047	1.4
175.04033	3.5
177.02013	2.7
177.05576	2.4
179.05740	1.0
183.04424	1.0
189.05609	1.5
191.03596	2.6
193.01425	2.6
197.06189	1.1
203.03546	1.4
205.01558	1.2
209.04482	1.9
219.03076	1.1
230.38809	1.1
235.02542	3.1
239.07207	1.8
241.05142	1.2
265.03677	1.7
269.04688	2.2
281.04684	3.1
282.05408	2.5
283.06091	23.3
283.09064	1.3
284.06500	2.1
293.04861	1.3
293.08136	1.3
295.06122	6.5
296.06888	2.5
297.04395	1.7
297.07632	28.5
298.08017	1.9
307.06314	2.7
309.07889	3.1
311.05591	37.6
312.06137	1.7
313.07324	4.2
314.04169	1.3
314.89005	1.0
323.05600	6.9
324.06299	1.3
325.07214	12.1
327.05118	4.6
328.06125	3.8
337.07419	4.2
341.06625	9.7
343.08298	1.7
343.17465	1.7
352.63425	1.1
353.06625	57.1
354.06967	5.5
355.08179	19.7
357.05948	1.3
365.06573	6.9
383.07684	25.6
384.08319	2.8
385.09280	15.2
395.08026	3.9
397.09222	1.2
413.08923	2.1
415.10327	4.6
427.10379	1.4
431.09781	49.4
432.10236	2.8
445.11694	6.5
447.09341	2.0
455.10791	1.1
457.11310	1.4
472.26846	1.0
473.10870	100.0
474.11243	6.1
475.12375	7.3
503.11850	5.4
529.10382	1.4
547.11584	4.2
565.15100	40.6
566.16278	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	565.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92800	0.4
55.01873	0.6
57.03436	0.9
59.00750	0.5
59.01379	1.3
62.96426	0.6
69.69057	2.8
70.89824	0.5
71.01382	1.2
78.95901	100.0
83.01389	2.5
85.02937	1.3
87.00861	1.4
89.02441	1.2
96.96959	38.7
99.00887	0.6
101.02426	0.7
111.00877	1.6
111.02003	9.7
120.96976	1.6
129.01932	7.1
131.03479	0.9
135.97704	0.5
138.98006	3.3
143.03471	1.0
147.02979	2.5
149.04550	5.2
150.97984	3.3
158.92528	14.5
174.97980	1.2
176.93575	2.2
191.01936	1.0
192.99043	1.7
198.64830	0.4
211.00134	5.8
222.97832	1.4
223.04567	2.5
241.01170	7.7
259.02386	0.5
272.95651	4.7
280.02380	2.2
305.01755	1.0
320.97781	3.5
323.02814	61.9
324.03070	1.5
384.98468	4.4
402.99332	1.5
473.11017	0.8
515.52777	0.5
565.04712	31.3
566.05109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0472
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
52.62900	0.3
62.96405	0.5
69.80099	1.6
78.95898	100.0
96.96957	37.6
98.19965	0.6
99.15675	0.4
111.01998	9.2
111.02771	0.5
120.96970	1.5
128.55669	0.3
137.98354	0.3
138.98007	2.9
150.98022	3.0
158.92537	14.5
164.93094	0.3
168.99063	0.4
174.98048	0.7
176.93596	1.1
192.99062	1.3
211.00119	3.5
224.58644	0.3
241.01180	7.2
272.95667	5.3
280.02182	2.2
286.60703	0.3
305.01834	1.0
320.97781	2.6
323.02814	58.7
324.03125	1.5
384.98413	3.7
402.99524	1.6
565.04694	26.5
566.05334	1.6
575.41034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
60.99295	0.3
61.98828	23.8
63.96194	0.2
69.53807	1.7
71.01375	0.4
85.02972	0.3
88.98803	2.0
89.92042	0.2
93.03416	0.3
94.12789	0.2
96.96004	0.4
98.20681	0.4
101.02372	0.3
109.02959	0.5
116.92852	0.4
121.02950	2.0
122.03730	1.5
123.04479	0.3
133.02962	0.5
135.00844	0.5
135.04482	0.4
136.05360	0.2
147.04507	1.0
149.44948	0.2
150.03210	0.5
152.30336	0.2
153.05573	0.3
154.02696	0.3
158.03761	0.3
159.04453	0.8
160.05287	2.5
161.05963	0.9
163.03996	0.4
164.04697	0.3
164.64580	0.2
165.05522	2.7
173.06065	0.6
174.01733	0.4
175.07632	2.0
176.07938	0.6
177.05539	0.7
178.06319	0.8
179.07027	1.0
181.06628	0.2
193.08575	0.4
196.05174	0.3
197.06047	0.8
208.05214	0.6
209.06039	0.8
224.02608	0.2
224.04697	1.1
225.05540	0.9
236.75150	0.2
237.05545	0.5
252.04239	1.3
253.05037	100.0
254.05353	3.8
254.55350	0.2
267.06671	0.4
275.07025	0.3
278.98148	0.2
281.04620	0.3
295.06140	1.7
329.13904	7.2
330.14291	4.4
346.14197	1.1
353.06891	0.4
359.14749	0.3
361.16537	12.4
503.19266	0.5
504.19803	0.6
522.20428	0.3
546.13092	1.1
564.14325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03448	5.4
58.00584	0.7
59.01378	89.3
60.01708	0.4
61.98828	4.5
68.99807	0.3
69.03460	1.2
69.50672	0.1
71.01380	20.6
71.05008	0.2
72.01729	0.2
72.99308	1.0
73.02945	8.0
74.03266	0.1
75.00872	0.6
78.95889	0.2
81.03470	0.4
82.95411	0.2
83.01383	8.5
83.05025	0.3
84.02188	0.2
84.95109	0.2
85.02948	13.8
85.06538	0.2
86.00115	0.6
87.00872	1.8
87.04509	0.7
88.98817	0.3
89.02438	2.2
93.03471	0.3
93.07098	4.8
95.01390	2.8
95.05017	0.2
96.96022	0.3
97.02959	1.4
97.06586	1.0
98.20627	0.5
99.00877	3.9
99.04531	0.2
99.08151	0.2
101.02440	18.5
102.02769	0.2
104.58028	0.1
109.06592	0.7
111.00880	2.0
111.08145	0.9
112.01659	1.3
113.02448	10.7
115.04042	0.3
115.90446	0.1
117.03497	0.2
119.03473	0.4
119.05058	0.2
123.04536	0.2
123.08160	0.5
124.01660	0.7
125.02434	2.3
125.06112	0.2
127.00454	0.2
127.07645	0.2
129.01903	0.8
131.03511	0.3
132.02188	1.0
133.02905	0.3
133.10220	1.1
134.03769	1.1
135.04549	0.2
135.08179	0.3
137.02458	0.2
139.00293	0.2
141.01917	0.4
141.09189	0.2
141.12827	1.4
142.02719	0.4
143.03496	2.1
149.02419	0.2
149.06062	0.5
150.82857	0.2
151.11270	0.4
153.09212	0.7
155.10754	0.2
159.02983	2.3
160.01656	5.4
161.02455	0.2
161.04547	5.4
163.04005	0.3
169.12335	0.3
171.13896	7.8
172.14246	0.2
175.03989	6.2
179.03477	0.2
179.10437	0.2
184.42732	0.2
185.15460	0.3
193.05016	0.7
209.11804	0.1
211.16998	1.3
213.15001	0.3
213.18604	0.5
227.16553	0.2
229.18057	0.2
253.09203	0.3
263.16458	0.1
267.15967	0.2
271.22693	0.2
283.06442	0.2
285.17166	0.3
297.07678	0.9
297.10648	0.2
307.06192	0.2
315.18103	10.9
316.18347	0.4
323.05664	0.2
325.06955	0.3
327.21698	0.8
328.05600	0.2
329.19543	0.3
333.19150	10.2
334.19577	0.6
337.06985	0.2
341.26999	0.6
347.20966	0.4
353.06628	1.5
355.21262	3.5
356.21698	0.2
359.28006	2.3
360.28354	0.2
365.06619	0.3
373.22287	4.6
374.22797	0.3
375.24008	0.2
383.07626	1.0
391.23422	0.5
415.26910	0.2
429.28543	0.3
433.27899	1.1
435.49622	0.2
437.29071	0.2
443.09839	0.3
443.30139	0.7
445.28250	0.4
449.29086	0.2
455.09763	0.2
455.29938	0.7
459.29282	0.2
467.30035	0.7
473.10886	0.3
473.31064	0.8
485.31146	2.1
503.32230	100.0
504.32538	7.1
521.33264	26.7
522.33521	1.9
543.28485	0.2
552.24475	0.2
563.14111	4.2
563.24890	5.4
563.34149	5.4
564.14417	0.6
564.24921	0.5
564.34698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03447	4.2
58.00589	0.6
59.01379	100.0
59.43323	0.3
60.01716	0.6
60.99301	0.5
61.98834	1.9
68.99808	0.3
69.03456	0.8
69.43465	1.3
71.01382	17.9
72.99306	0.9
73.02946	6.7
75.00878	1.0
81.03456	0.3
83.01390	5.5
83.05022	0.3
85.02950	12.1
85.06593	0.3
86.00097	0.5
86.03269	0.2
87.00883	1.7
87.04527	0.4
88.98792	1.5
89.02441	2.6
93.03461	0.3
93.07102	3.8
95.01389	1.9
96.96024	0.6
97.02959	1.4
97.06551	0.2
99.00878	2.8
99.04533	0.3
101.02444	15.2
109.03011	0.4
109.06619	0.2
111.00869	1.8
111.08178	0.4
112.01675	0.5
113.02452	10.2
115.04047	0.4
119.03522	0.8
123.04561	0.2
124.01624	0.5
125.02433	1.3
127.03982	0.2
129.01949	0.5
130.08762	0.3
131.03510	0.4
132.02185	0.2
134.03792	0.3
135.04482	0.2
136.01593	0.3
137.02454	0.5
141.75221	0.2
143.03473	2.0
143.10765	1.8
145.05116	0.3
150.03238	0.2
151.04012	0.6
153.09268	0.2
159.02965	1.9
160.01675	0.9
161.02495	0.3
161.04550	5.7
163.03951	0.3
173.11794	0.3
175.04007	1.5
178.76094	0.2
179.05721	0.4
193.05029	0.3
195.13876	0.2
203.05687	0.2
211.16986	0.7
215.36073	0.2
229.18068	8.5
230.18401	0.2
234.50116	0.2
241.18079	0.2
283.06064	0.4
287.15015	0.3
295.05994	0.3
297.07553	1.2
299.05707	0.3
305.15982	0.4
311.05682	0.3
325.07184	0.5
337.06985	0.3
341.27057	0.4
353.06619	2.4
358.13626	0.3
359.28076	2.4
360.28494	0.2
365.06528	0.4
373.22256	7.1
374.22736	0.4
383.07657	1.6
391.23349	13.4
392.23584	0.6
402.10437	0.2
417.09927	0.3
443.09677	0.5
443.30063	0.6
455.29941	0.5
473.10950	0.6
473.31354	0.5
485.31363	1.4
488.14749	0.3
503.32236	72.2
504.32584	5.4
521.33264	21.8
521.41687	0.4
522.33582	1.7
532.12921	0.3
563.14038	7.4
563.24200	1.5
563.34430	2.4
564.14667	0.7
564.23682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03442	2.8
58.00592	0.5
59.01375	95.1
60.01715	0.7
61.98826	2.5
67.01891	0.3
68.99533	0.3
68.99863	0.2
69.03460	1.0
71.01379	20.2
71.05023	1.1
71.20706	0.2
71.55813	0.4
72.01745	0.2
72.99302	0.8
73.02940	7.1
75.00883	0.6
81.03465	0.4
83.01382	6.5
83.05035	0.3
83.95052	0.2
84.02171	0.3
85.02946	12.8
85.06567	1.4
86.00122	0.6
87.00878	2.1
87.04481	0.2
88.98819	0.3
89.02438	2.4
93.03463	0.6
93.07088	4.5
95.01377	2.5
95.09505	0.2
96.96022	0.8
97.02932	1.3
97.06598	0.4
99.00871	3.0
99.04523	0.5
101.02436	16.3
108.04546	0.8
109.04863	0.4
109.06584	0.3
111.00868	2.7
111.08154	0.8
112.01669	0.9
112.98568	0.4
113.02442	10.6
114.02824	0.3
115.03974	0.3
117.03465	0.3
119.03516	0.7
121.03004	0.3
123.08128	0.2
124.01673	0.5
125.02451	1.9
129.01932	1.0
132.02151	0.3
134.03809	0.3
137.02461	0.4
141.01764	1.1
143.03488	2.0
145.05025	0.2
147.11752	1.0
149.02469	0.5
150.05598	0.4
153.09251	0.4
157.12355	1.3
158.36974	0.2
159.02983	2.4
160.01639	0.6
161.02426	0.3
161.04530	5.1
161.05888	0.3
167.14368	0.3
175.03998	1.1
177.01967	0.2
179.03584	0.2
179.05574	0.5
181.16020	0.2
183.13911	0.2
185.15440	0.5
190.02678	0.3
191.03265	0.4
205.05112	0.3
209.15509	0.8
211.17007	0.6
227.16579	0.5
229.18048	13.6
230.18378	0.3
235.06174	0.3
241.18115	0.4
251.11266	0.3
283.06143	0.3
293.12378	1.0
295.06158	0.3
297.07678	0.9
301.16379	0.3
319.17477	0.5
323.05496	0.4
325.07181	0.5
329.27032	0.3
341.26862	0.7
353.06589	1.9
359.28015	3.3
367.10434	0.3
368.10663	0.6
373.22269	10.2
374.22800	0.4
383.07605	1.5
391.23315	10.7
392.23697	0.4
395.07816	0.4
422.16956	0.2
426.23123	0.2
443.09802	0.5
443.30057	1.0
455.30161	0.8
467.30008	0.6
473.10602	0.3
473.31042	0.6
480.55521	0.2
485.31055	1.3
503.32217	100.0
504.32526	7.0
521.33252	25.2
522.33704	1.8
563.14014	6.3
563.25244	1.3
563.34271	4.4
564.14453	0.8
564.24365	0.2
564.34637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38365	0.2
55.01891	0.2
59.01376	2.8
60.99298	0.2
61.98832	2.7
71.01382	1.2
71.56547	0.4
73.02963	0.5
85.02959	0.5
87.00854	0.3
88.98801	1.6
89.02443	0.6
93.03488	0.3
95.01399	0.3
96.96024	0.4
101.02454	0.7
109.02947	0.6
111.93978	0.2
113.02457	0.8
117.03486	0.6
119.05047	0.4
121.02947	3.6
122.03754	1.4
123.00849	0.9
123.04540	1.0
124.01667	0.7
125.02595	0.2
134.03773	0.3
135.04489	0.5
136.01663	0.6
136.05318	0.9
137.02448	0.8
137.06090	0.4
138.03261	0.3
143.05005	0.8
145.02992	0.4
146.03757	0.5
147.04492	2.3
149.02434	1.5
149.06088	0.4
150.02034	0.3
150.03220	5.1
151.03941	0.4
153.05576	0.4
158.03720	2.5
159.04517	8.4
160.05295	25.6
161.06067	7.4
162.03241	0.5
163.02737	0.3
163.04015	4.7
164.04778	5.6
165.05344	0.5
168.04324	0.3
173.06079	3.4
174.06851	0.6
175.04085	0.6
175.07631	24.7
176.04764	0.9
176.07983	0.7
177.05556	6.6
178.06339	7.6
179.03568	0.2
187.07637	0.2
189.05606	0.3
191.03510	0.3
191.07147	0.3
192.07904	1.4
193.04994	0.3
193.08690	2.5
253.05032	9.8
267.06308	0.2
268.07220	0.2
269.04410	0.2
269.07846	0.2
281.04803	0.2
281.08371	0.2
282.05566	0.2
283.06128	0.6
284.10461	0.3
293.08157	0.2
295.06149	1.1
295.09378	0.3
296.10297	0.2
297.07687	1.2
297.10571	0.2
299.12958	0.4
311.05557	0.4
311.09177	0.3
311.12973	0.3
314.11560	0.7
323.05576	0.6
325.07129	0.6
326.11624	0.4
328.05798	0.3
329.13913	100.0
330.14240	5.6
339.05115	0.3
341.13873	0.3
344.12634	0.6
351.04993	0.3
353.02454	0.2
353.06610	3.3
359.14996	4.3
360.15244	0.2
365.06421	0.5
369.06155	0.6
383.07770	1.9
395.07458	0.3
395.95154	0.2
399.07227	0.4
401.15723	0.5
408.01840	0.2
413.08664	0.5
441.08856	0.3
443.09888	0.9
459.09134	0.5
472.26688	0.2
473.10812	0.8
473.18094	1.6
475.15244	0.2
503.11826	0.3
503.19174	3.8
504.19385	0.4
521.20233	2.2
527.11652	0.3
545.13141	3.1
546.13623	0.5
563.13965	7.4
563.21399	0.3
564.14545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11116	0.1
59.01378	0.9
59.91387	0.1
60.32323	0.1
61.98840	0.3
65.63235	0.1
69.36978	1.0
71.01371	0.4
73.02982	0.2
85.02952	0.1
88.98794	0.9
93.03449	0.4
95.01373	0.2
96.96033	0.2
101.02443	0.2
108.02161	0.3
109.02976	0.2
111.00870	0.2
117.03438	0.2
118.67488	0.1
121.02943	3.3
121.03756	0.2
122.03761	1.8
123.00919	0.8
123.04512	0.5
123.47153	0.1
124.01654	0.6
130.04218	0.1
131.05058	0.4
134.03697	0.1
135.04521	0.3
136.01598	0.3
136.05278	1.2
137.02446	0.5
137.06099	0.4
143.05026	0.7
145.02942	0.2
145.06609	0.2
146.03703	0.4
147.04503	2.4
149.02446	1.5
149.06073	0.2
150.03220	4.7
151.03969	0.4
153.05530	0.6
158.03712	2.4
159.04512	8.4
160.05292	27.7
161.06076	7.5
162.03230	0.4
162.06447	0.2
163.03996	4.2
164.04782	4.8
165.05406	0.2
168.04286	0.3
173.06065	3.4
173.07559	0.2
174.06877	0.6
175.07626	25.0
176.04749	0.9
176.07994	0.6
177.05560	6.5
178.06332	9.1
179.03502	0.3
179.06958	0.2
190.06116	0.2
191.07140	0.6
192.07899	2.1
193.05011	0.2
193.08696	2.6
253.04997	0.3
281.14008	0.2
283.06094	0.1
284.10373	0.2
297.07581	0.3
299.12848	0.4
311.05496	0.2
314.11563	0.8
329.13904	100.0
330.14249	5.1
351.05319	0.1
353.06622	1.0
359.14941	3.0
383.07675	0.5
401.15771	0.4
443.09659	0.2
473.11456	0.2
473.18076	1.0
503.19070	0.4
545.12848	0.6
563.13849	2.0
564.14276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12712	0.3
58.00683	0.3
59.01370	1.8
69.48753	2.2
71.01379	0.9
85.02979	0.4
86.68000	0.3
93.03456	0.6
98.20720	0.4
110.36289	0.3
113.02431	1.1
117.03446	0.3
121.02943	3.9
122.03733	1.2
123.00882	1.1
123.04541	0.6
124.01629	0.9
135.04416	0.4
136.01624	0.7
136.05307	1.0
136.97943	0.3
137.06076	0.4
143.05014	0.9
147.04509	2.2
149.02443	2.0
150.03233	4.4
151.04027	0.6
158.03720	2.6
159.04518	8.4
160.05287	24.6
160.57755	0.3
161.06065	6.2
162.03200	0.4
163.03970	4.1
164.04782	4.7
165.05405	0.4
173.06035	3.3
174.06837	0.5
175.07631	23.8
176.04756	0.8
176.07935	1.1
177.05539	6.0
178.06340	8.8
179.06985	0.5
192.07869	2.3
193.05098	0.3
193.08696	3.1
203.77199	0.3
297.07733	0.7
299.12686	0.3
314.11615	1.2
323.05783	0.4
329.13904	100.0
330.14243	5.8
353.06696	1.2
359.14960	2.6
383.07529	0.6
387.14883	0.4
413.08401	0.5
503.19385	0.4
545.12769	1.6
563.14044	3.5
563.23218	0.8
564.14880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
57.03446	1.3
58.00594	2.3
59.01376	100.0
61.98834	1.2
62.64577	0.5
69.03472	1.9
69.21567	4.5
71.01378	53.1
72.99306	2.4
73.02941	51.9
83.01385	15.4
85.02945	16.0
87.00884	2.8
88.98799	3.7
89.02441	17.5
93.03474	1.4
95.01382	5.2
96.96022	2.8
97.02931	0.7
99.00890	1.9
99.04559	0.7
101.02439	52.4
102.02784	0.7
108.02174	2.3
109.02974	2.4
113.02446	36.6
114.02766	0.8
117.03462	1.5
119.03501	7.4
121.02947	3.6
122.03761	2.3
123.04546	3.6
124.01663	0.7
125.02488	2.4
131.03502	5.6
134.03772	0.7
135.04555	1.3
137.02449	1.4
143.03519	4.6
143.77782	0.6
147.04536	1.3
149.02571	0.8
149.04544	7.3
149.06146	0.8
150.03183	1.4
151.04053	0.8
155.03554	0.8
158.03773	1.1
159.04507	3.7
160.01645	0.7
160.05289	10.0
161.02487	1.3
161.04584	14.1
161.06090	3.4
163.03986	1.2
165.05649	0.8
171.04535	1.4
172.05309	6.7
173.06061	4.8
174.06773	0.7
175.03983	1.0
175.07602	4.3
177.05602	0.8
179.05635	2.7
179.81514	0.6
187.07668	3.4
189.05583	11.7
190.06340	13.1
195.06566	0.7
203.05550	0.9
203.07263	1.0
204.07957	1.1
205.08673	13.0
221.06720	1.8
280.07281	0.7
281.04749	1.1
281.08258	3.1
282.05261	1.2
283.06030	4.7
284.06348	3.0
285.06683	3.4
293.07953	0.8
295.06006	0.9
295.09717	1.4
296.10495	7.4
297.07657	2.3
297.10873	0.9
308.10791	0.8
310.08578	1.0
311.05612	5.0
311.09634	1.1
311.12894	9.0
312.05911	3.5
313.06046	4.0
323.05695	1.9
325.06357	0.9
326.11743	1.7
329.13907	3.2
341.13904	56.9
342.07358	0.8
342.14359	2.5
343.07269	1.9
353.06631	5.7
383.07657	3.2
413.08896	0.6
433.10641	0.8
443.09567	1.4
475.09171	1.4
476.09073	2.0
477.09293	12.5
503.19214	24.0
503.31882	1.3
504.19809	2.0
521.20239	3.7
545.13214	2.4
563.14105	13.5
563.22845	3.3
583.57068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.8
60.99303	13.8
61.98833	0.8
70.91869	0.5
71.01373	1.6
71.58559	0.5
85.02969	0.6
87.00872	0.8
88.98803	100.0
89.02402	0.7
89.99126	0.7
90.61971	0.4
93.03427	0.5
96.96025	2.8
101.02418	0.9
107.54424	0.4
113.02445	0.6
116.92885	0.5
117.03439	2.5
119.05039	0.8
125.02427	0.9
135.04541	0.9
137.02336	0.5
147.04529	0.5
150.03232	0.7
159.04491	0.5
160.05246	2.1
161.02406	0.6
163.03979	1.0
173.05910	0.5
175.04068	0.7
175.07584	2.1
177.05481	0.8
178.74976	0.5
182.38976	0.5
189.01968	0.5
191.03473	0.9
203.03519	0.6
205.04990	0.9
245.09201	0.8
251.46249	0.4
253.05037	4.1
269.04471	0.9
271.05142	0.6
281.04477	0.6
282.05286	0.9
283.06137	3.7
295.06097	1.3
296.06870	0.9
297.07571	5.0
307.05905	0.7
309.07547	0.7
311.05594	6.4
323.05371	0.8
325.07217	1.9
328.05853	0.8
329.13989	7.0
337.07135	1.0
353.06671	11.3
365.06412	1.5
383.07697	7.0
391.93857	0.5
395.07828	1.2
413.08685	2.1
425.08792	0.7
429.21222	0.8
443.09641	2.9
473.10892	2.8
545.13269	0.7
563.13977	36.3
564.14240	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	563.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62166	0.5
58.91733	0.5
59.01377	5.9
60.99298	14.4
61.98832	0.7
66.56509	0.4
70.08524	0.5
71.01384	1.3
71.56827	0.7
73.02952	0.5
83.01394	0.8
83.83762	0.5
85.02941	0.6
87.00848	0.5
88.98801	100.0
89.02430	0.5
93.03461	0.8
95.89299	0.5
96.96033	1.6
101.02473	0.6
107.24567	0.5
113.02467	0.5
117.03445	1.0
121.02982	0.6
135.04517	0.5
151.00369	0.7
159.04440	0.5
160.05263	2.4
161.02411	0.8
161.06042	0.7
163.04033	0.9
175.02429	0.8
175.03955	0.9
175.07614	2.2
177.05585	0.8
178.06323	0.8
243.03157	0.6
245.09258	0.6
253.05058	4.8
269.04453	0.6
282.05280	0.6
283.06046	3.1
295.06140	1.3
297.07611	4.7
311.05563	5.1
323.05499	1.2
325.07190	2.3
329.13916	9.3
337.07098	0.8
353.06573	8.1
354.06827	0.7
365.06644	1.2
383.07602	6.6
395.07889	1.1
413.08749	1.5
443.09964	2.4
463.11685	0.6
473.10767	2.2
563.13934	32.1
564.14575	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98830	2.9
64.21418	0.7
65.83275	0.7
69.01913	0.7
70.39724	2.3
71.01391	6.4
71.45415	0.7
73.02944	3.9
83.01389	2.2
85.02967	2.0
87.00930	0.7
89.02431	1.4
93.03468	0.9
96.96045	1.4
98.20029	0.7
101.02441	5.0
113.02457	2.8
115.98026	0.7
117.03462	1.4
121.02960	1.8
123.04553	0.8
125.02528	1.1
133.02950	0.9
134.03778	1.2
135.04512	0.8
149.06079	0.7
150.63983	0.7
161.04599	1.6
163.50003	0.7
165.01852	1.5
175.03931	1.1
239.03503	1.8
241.05154	1.2
253.08922	1.0
254.05836	2.8
269.04681	1.0
269.07993	1.0
283.06009	0.9
284.06924	1.4
295.06067	1.1
296.07004	0.8
297.07687	4.7
299.09204	11.1
300.09766	1.2
311.05542	0.7
315.08728	3.0
315.25418	0.8
323.05533	1.2
325.06958	1.7
327.21790	1.9
328.05743	1.2
353.06641	9.6
359.27866	2.7
364.15906	0.7
365.06525	1.5
383.07886	4.5
443.09692	2.5
459.29926	1.7
461.31061	0.7
473.10760	1.8
477.30423	1.2
503.32166	2.4
521.33423	2.0
562.33051	1.0
563.14044	25.1
563.34436	8.8
564.14209	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	563.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44915	0.5
59.01376	100.0
60.01704	0.9
61.47428	0.4
61.98848	2.2
65.00330	0.4
67.97577	0.4
70.50767	0.4
71.01385	4.1
71.56772	0.8
72.99302	0.4
73.02946	3.0
75.00861	0.8
78.95909	0.6
83.01395	1.3
85.02962	1.3
89.02467	1.1
96.96007	0.5
101.02428	3.8
108.02135	0.5
113.02441	1.5
117.03472	0.6
119.05016	0.5
121.02944	2.2
125.02424	0.8
133.03015	0.7
134.03746	2.0
143.03551	0.5
149.06085	1.4
151.38448	0.4
161.04549	0.7
165.01926	2.5
201.05190	0.4
251.36664	0.4
269.04532	0.5
284.07089	0.5
285.07523	0.6
297.07495	2.4
299.09222	3.7
315.08649	5.2
316.09155	0.5
325.07196	1.0
327.21768	1.4
353.06595	5.4
359.28186	2.1
365.06714	0.6
367.38156	0.4
383.07639	3.4
401.28888	0.6
434.05939	0.5
443.09869	0.9
459.29611	1.0
473.10870	1.6
477.30698	0.7
503.32205	1.1
521.32928	0.9
563.05151	0.7
563.13971	14.4
563.26215	0.9
563.34235	5.3
564.14355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1402
Annotation	Leptosidin 6-xylosyl-(1->4)-arabinoside
Peak:m/z	Relative Intensity
55.01868	1.7
56.36103	0.9
57.03451	2.5
58.00583	1.6
59.01375	100.0
60.01699	2.0
60.99303	1.1
61.98824	5.4
71.01004	2.0
71.01377	29.0
71.56961	1.5
72.99292	1.2
73.02946	11.8
74.03291	1.0
75.00872	1.0
81.07550	1.0
83.01376	4.9
85.02936	10.0
87.00870	2.2
88.98803	7.8
89.02440	11.0
92.69616	1.1
93.03436	1.3
95.01361	2.2
96.00891	2.8
96.96016	6.3
97.02920	1.4
99.00873	2.0
101.02435	16.7
111.00888	1.3
113.02438	17.0
114.01948	1.2
114.09502	1.1
119.03487	3.6
123.04517	1.6
125.02386	1.7
135.04524	1.4
137.02403	2.8
143.03470	2.0
147.03293	1.0
149.06064	1.2
151.00407	1.2
159.03015	1.0
159.04474	1.1
160.01675	1.2
161.04521	10.6
163.03993	1.3
167.20055	1.2
175.03961	1.6
179.05640	2.2
179.07121	2.9
187.03981	1.8
205.08746	2.0
207.13768	1.2
213.05402	1.3
227.03485	1.6
228.04131	1.1
229.18141	4.8
231.06639	1.3
241.04985	1.1
241.63795	1.1
255.02960	13.1
256.03610	1.6
257.04507	10.4
268.03717	2.8
269.04486	2.9
283.02484	16.8
283.05890	2.8
284.03220	47.5
285.03986	28.3
286.04205	1.1
297.04053	4.0
297.07693	4.4
298.04861	5.9
299.05576	88.1
300.06210	8.7
309.16660	1.2
311.05362	1.6
315.08716	34.1
316.09286	1.6
323.05417	2.3
325.06912	1.5
329.13675	2.0
341.06717	6.1
341.13663	2.0
351.05267	1.0
353.06641	7.2
359.27899	3.6
365.06485	1.6
383.07681	7.6
391.23343	3.4
443.09607	2.8
448.29596	1.5
459.09482	1.8
473.10516	1.6
476.08987	1.1
477.09158	3.0
488.09787	2.4
503.11969	33.0
503.19119	2.1
503.32184	33.0
504.12515	2.3
521.33234	11.8
542.80737	1.2
545.12756	4.6
563.14001	24.3
563.23157	2.5
563.31909	8.1
564.14752	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	563.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92004	0.5
59.01379	1.1
63.15226	0.4
67.77197	0.4
70.41418	0.6
70.41776	1.5
71.01388	0.6
73.02966	0.4
79.01887	0.6
93.03451	1.4
103.21436	0.5
117.03455	4.1
119.05007	0.9
133.06627	0.6
135.04506	2.2
145.02895	0.6
147.04521	0.5
149.02396	0.8
159.04530	0.6
161.02425	1.8
163.03972	1.3
173.06000	0.5
175.03961	1.4
177.05530	1.4
179.03357	0.6
189.05464	0.9
191.03477	1.5
195.36386	0.5
197.06053	0.5
203.03401	1.3
205.05104	0.7
210.06859	0.5
217.05142	0.7
221.04532	0.9
227.03589	0.5
233.04530	1.0
245.04405	0.6
253.08813	0.7
267.06595	0.5
268.07391	0.7
281.04480	1.3
282.05283	2.2
283.06021	3.5
293.08069	0.5
295.06052	3.8
296.06750	2.6
297.07639	15.7
298.08032	1.3
300.71722	0.4
307.06143	2.4
309.07617	2.8
311.05533	3.1
323.05521	3.9
324.06180	1.2
325.07120	8.6
328.05798	2.5
335.05533	1.1
337.07120	3.1
339.08398	0.6
341.06656	0.7
353.06610	36.4
354.07062	1.4
355.08136	1.6
356.05341	1.2
363.04745	0.6
365.06534	4.9
377.06946	0.5
383.07675	22.8
384.08112	1.5
395.07605	3.2
397.08929	0.7
411.72852	0.5
413.08813	2.8
425.08774	1.4
437.08820	0.6
443.09818	6.3
444.09747	0.6
455.09790	0.6
473.10693	6.2
503.11581	1.1
545.13245	1.1
563.13983	100.0
564.14301	8.1
589.93457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22291	0.4
57.38279	0.4
69.19642	3.4
69.20078	1.5
81.50661	0.5
93.03432	1.1
99.00256	0.4
117.03460	3.8
119.05042	0.9
135.04512	1.5
147.04510	0.6
159.04488	0.8
161.02400	2.1
163.03970	1.1
175.04015	1.7
177.05533	1.6
189.01837	0.6
191.01730	0.5
191.03502	1.4
203.03517	1.3
221.04462	1.0
245.04559	0.5
251.07346	0.5
253.08554	0.5
266.05731	0.5
268.07416	0.9
269.04422	0.6
279.98434	0.5
281.04486	0.5
282.05267	1.4
283.05994	3.3
295.06097	4.5
296.06781	3.2
297.07654	15.2
298.07800	0.8
307.06152	1.7
309.07684	2.0
311.05579	2.1
322.04474	0.5
323.05542	3.7
324.06152	0.8
325.07108	6.5
328.05716	2.3
335.05521	0.8
337.07181	1.9
341.06470	0.8
353.06625	34.9
354.07053	2.1
355.08514	0.6
356.05334	1.3
365.06552	3.9
381.06125	0.6
383.07690	23.6
384.08090	1.5
395.07678	2.9
407.07663	0.8
413.08789	3.1
425.08817	1.6
443.09744	9.1
444.10190	0.8
455.09634	1.2
473.10852	6.5
503.11917	0.6
533.42322	0.6
545.13147	0.8
563.14020	100.0
564.14368	7.9
578.66577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.7
61.98819	4.4
71.01344	1.0
71.20153	0.6
78.95901	8.9
85.91166	0.6
89.66308	0.6
97.96895	0.6
99.28300	0.6
138.96953	0.6
140.01160	2.7
141.41525	0.7
152.99550	0.6
155.14455	0.6
165.12762	0.9
166.13155	0.7
181.12312	1.2
196.03749	1.2
199.13380	19.0
214.04857	4.1
263.20135	1.9
270.67941	0.6
279.19778	3.6
297.07596	0.9
331.75253	0.7
347.25894	6.3
353.06552	1.6
363.25281	1.0
365.26926	100.0
366.27255	5.1
383.07736	0.9
387.35239	0.6
443.09839	0.9
473.10718	0.6
562.31445	27.9
563.14221	5.2
563.31793	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59361	0.4
57.03440	0.7
59.01369	1.8
63.20844	0.5
68.64797	0.4
69.17773	4.2
83.05029	0.5
86.21581	0.4
95.04993	0.5
97.06569	0.6
98.20683	0.7
111.08151	1.6
112.73124	0.4
163.11256	0.5
165.12836	20.9
166.13190	0.6
183.13879	100.0
184.14191	2.1
209.11797	8.9
212.43596	0.5
216.12103	0.4
227.12849	9.6
233.22728	0.5
262.88315	0.4
277.21698	69.5
278.22067	3.0
283.15390	2.7
301.16531	8.7
517.25525	0.5
561.37927	16.6
562.38416	1.2
582.15454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14648	0.7
54.23213	0.6
55.00234	0.7
55.01866	1.2
57.03444	1.7
57.92658	0.7
58.00591	1.4
59.01376	100.0
61.98837	5.3
62.66639	0.8
62.78181	0.7
68.54573	0.6
69.03456	1.4
69.20761	7.2
71.01376	45.5
72.99305	1.9
73.02943	49.7
75.00877	1.0
83.01379	15.1
85.02938	8.6
87.00890	2.9
88.98814	2.4
89.02437	11.4
93.03467	1.4
95.01383	2.9
96.00880	0.8
96.96010	15.6
96.96604	1.1
97.02969	1.1
99.00890	1.5
99.04465	0.9
101.02439	49.2
108.02177	9.6
113.02444	21.2
116.79458	0.7
117.03506	2.4
119.03480	6.0
121.02959	2.1
123.04519	12.6
125.02479	2.5
128.03580	1.2
131.03497	4.7
134.03754	1.5
135.04541	1.3
136.01671	3.3
137.02467	1.9
143.03473	5.3
149.02512	0.8
149.04547	7.9
151.00372	1.1
151.03960	4.2
155.03557	1.4
159.04549	1.3
160.05325	2.6
161.02534	1.3
161.04553	12.6
174.03226	1.8
175.00420	1.0
175.02557	1.1
179.05635	1.5
187.04034	3.5
188.04778	3.6
193.04913	0.9
203.05447	1.6
203.07152	13.3
204.07484	0.8
205.12334	0.9
221.06761	2.1
225.05681	0.8
235.07607	0.9
241.95746	0.7
251.07129	2.0
261.05637	2.0
262.06296	1.2
263.07114	2.4
269.04617	2.5
278.09616	1.1
279.06680	5.3
281.04965	0.9
281.08282	2.9
283.06125	2.9
285.04126	1.3
291.06772	2.3
294.09024	3.0
297.04001	1.3
298.04758	2.0
306.09259	1.3
306.30954	0.7
309.07950	0.7
309.11270	17.6
309.14902	1.0
310.11707	1.3
311.05679	6.9
313.03638	2.9
321.11374	1.6
323.05624	1.1
325.03699	2.1
325.52759	0.8
327.04816	0.9
337.03592	3.1
338.03711	1.2
339.12347	29.0
340.12701	1.6
341.06747	0.9
353.09933	0.8
357.13339	4.7
376.45233	0.9
381.13657	1.3
395.03241	0.7
445.07898	2.0
457.07501	0.9
475.08765	11.2
476.08755	1.0
501.30869	3.2
523.35730	0.9
529.09833	0.9
543.14319	1.1
543.21161	1.0
561.15289	12.4
561.22369	2.8
561.32172	7.1
562.16864	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03444	1.4
58.00589	1.4
59.01377	100.0
61.98822	1.6
64.59516	0.8
66.32230	0.8
67.76936	0.8
69.03447	1.4
71.01379	39.2
71.58742	1.4
72.99303	2.3
73.02944	47.7
75.96472	0.7
83.01386	14.5
85.02951	9.3
87.00865	3.1
88.98811	1.4
89.02440	27.6
93.03475	1.1
95.01385	2.8
96.96008	13.8
97.02951	1.6
98.95568	1.3
99.00855	1.4
99.04535	2.3
101.02440	47.0
108.02161	4.1
111.04509	1.2
113.02444	21.7
116.92839	1.3
118.92691	1.1
119.03504	9.7
119.04984	1.1
119.42053	0.9
121.02960	4.0
122.03741	2.6
123.04522	5.1
125.02412	1.6
131.03487	5.6
134.03731	1.2
136.01656	71.1
137.02393	2.4
143.03488	4.7
149.04547	20.0
151.03998	84.8
152.04373	2.7
155.03477	1.7
159.04440	1.7
160.05284	3.0
161.02507	1.4
161.04547	15.1
161.12144	0.9
161.13319	4.5
162.04695	0.9
163.04059	1.9
175.02524	0.9
175.07727	1.4
177.05545	1.5
179.05663	4.4
187.03979	2.0
187.11217	1.2
188.04784	2.4
203.05493	1.5
203.07138	7.4
205.04898	1.1
205.12315	12.4
221.06660	2.5
249.11310	13.0
256.86459	0.8
261.05707	1.4
263.07083	2.4
269.04593	2.2
278.85001	0.8
279.06589	4.5
280.07397	0.9
281.08224	4.3
283.06137	1.7
291.06741	1.6
294.08957	2.3
309.07629	3.1
309.11343	8.7
311.05527	1.7
313.03583	1.8
321.07690	1.0
321.11533	1.5
324.09830	1.6
325.03778	0.9
337.07040	3.0
339.12296	14.9
340.12756	1.2
342.11133	4.6
357.13388	83.4
358.13791	4.2
367.08127	1.7
377.02960	1.2
381.13110	2.0
385.18408	1.1
418.50015	0.9
429.17639	15.7
430.17810	1.5
441.11816	1.4
475.08981	2.3
501.30569	6.3
519.31464	1.6
543.18713	1.8
561.15570	14.4
561.22015	20.3
561.31488	1.2
562.15149	1.7
562.23065	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	561.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.0
69.26779	0.9
69.27178	4.9
71.01382	9.8
71.50333	0.5
72.99304	0.7
73.02950	2.8
75.00848	0.9
83.01385	1.1
85.02938	3.6
87.00860	1.4
88.98776	1.9
89.02440	11.3
90.27887	0.6
95.01362	2.0
96.95960	1.0
98.95537	0.6
101.02444	7.5
113.02451	8.4
117.03416	0.8
119.03495	3.7
119.04995	2.0
121.02918	1.5
123.04486	1.0
125.02402	0.7
131.03430	1.5
131.04950	0.8
135.04472	1.8
136.01653	7.9
137.02516	0.7
143.03510	0.6
143.70604	0.5
145.02892	2.0
147.04462	0.8
149.03516	0.8
149.04535	8.6
151.00285	0.8
151.02931	0.6
151.04008	8.7
161.02448	1.1
161.04517	2.6
161.13248	1.9
163.03952	1.9
166.02641	1.2
175.03923	1.2
177.01900	1.6
179.05504	1.8
181.04982	1.7
189.01871	0.8
191.03349	1.3
203.03456	1.7
205.12296	4.2
208.08859	0.7
235.07631	1.3
237.09126	1.5
249.11256	4.6
252.07796	1.2
253.05101	0.8
253.08366	0.7
267.06586	3.6
268.06772	0.6
269.04315	1.4
277.08578	0.8
279.06641	5.2
280.07352	2.1
281.08188	20.2
283.05988	2.0
291.06552	1.9
293.08148	2.1
295.06146	4.1
295.08923	0.8
298.04837	1.2
307.06039	2.8
308.06735	1.0
309.04388	0.7
309.07693	9.5
311.05692	3.0
312.06277	3.6
319.05988	1.0
321.07718	3.1
323.05402	1.0
335.05466	1.3
337.07147	32.3
338.07397	1.8
339.08621	1.2
339.12292	1.5
340.05719	0.8
349.07050	4.2
350.11658	0.7
353.10583	0.8
357.13388	12.0
367.08218	20.1
368.08609	0.7
379.07986	2.3
397.08954	1.2
417.15189	2.1
419.08466	0.7
423.10623	0.7
429.17459	3.1
441.11942	14.7
442.11868	1.1
457.11246	0.7
471.12778	6.0
475.08932	3.4
543.14984	1.1
561.15735	100.0
562.16077	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	561.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50709	1.4
57.03427	1.2
57.19314	1.1
58.00601	1.7
59.01378	70.6
61.09587	1.2
61.98822	3.1
67.16105	1.2
69.49014	7.4
69.49419	2.0
71.01377	29.7
72.99310	2.5
73.02948	6.1
80.42645	1.2
81.07045	1.5
82.30373	1.3
82.95405	1.2
83.01377	3.5
83.06872	1.4
84.95120	1.6
85.02942	6.4
87.00880	3.8
88.98802	3.5
89.02444	52.3
89.67952	1.5
95.01334	1.4
96.96018	11.8
98.20676	2.3
99.04502	4.3
101.02424	17.3
103.04016	2.4
113.02442	9.0
115.00381	1.5
119.03497	15.4
119.04992	2.4
121.02934	6.2
123.04529	1.3
125.02464	3.2
131.03488	7.3
135.04530	1.6
143.03494	2.3
145.02965	2.2
147.04503	2.2
149.04543	81.3
161.04567	3.2
161.13342	11.8
163.03996	5.6
175.02547	2.8
175.03864	7.3
177.01941	1.7
179.05608	9.0
183.71332	1.3
187.02457	2.2
187.11266	1.4
189.01990	1.4
190.06384	3.7
203.03520	2.0
203.07166	1.8
205.10493	2.5
205.12315	24.2
222.05302	5.1
223.07605	2.6
225.05598	1.4
235.07689	2.9
239.07091	1.7
249.05670	1.8
249.11279	21.6
250.06316	1.6
251.07098	4.2
253.08652	3.4
261.05511	2.2
262.06400	2.2
263.07068	6.9
267.06610	5.6
269.08148	7.2
278.09537	1.6
279.06631	13.1
280.07251	2.3
281.08203	27.0
282.08722	1.8
283.09747	2.0
285.03607	1.5
291.06674	4.2
293.08188	7.5
294.08975	7.3
295.06046	4.2
295.09265	1.7
296.10526	2.1
297.07654	34.1
307.06073	3.3
308.07053	2.1
308.10480	3.1
309.07678	49.0
309.11298	21.2
310.08090	2.1
311.09082	1.5
312.06430	4.1
312.09991	32.1
313.10385	2.4
323.09311	4.9
324.09998	22.3
327.12350	100.0
328.12762	3.0
337.07141	40.5
339.12347	70.5
340.12534	3.0
349.07135	4.4
349.45444	1.5
367.08151	21.5
379.08176	2.9
385.18655	4.5
397.09442	2.3
429.17645	30.0
441.11786	4.4
457.11447	7.6
487.12820	2.9
536.87561	1.7
543.15363	2.4
561.15918	74.8
561.22443	35.7
562.16498	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89177	0.7
55.67329	0.6
56.99963	0.6
59.01372	30.8
69.58685	0.6
70.03063	2.8
71.01373	12.0
72.99300	0.8
73.02547	1.1
73.02939	14.7
77.03940	1.2
79.01904	1.2
83.01394	4.0
85.02928	2.6
89.02435	4.0
93.03448	1.8
95.01353	1.1
96.95990	3.9
98.20621	0.8
101.02435	16.7
105.03457	0.7
108.02158	2.0
113.02448	6.3
117.03444	9.2
119.01369	1.6
119.03466	2.1
119.04939	0.6
121.02928	3.9
122.03716	1.2
123.00899	0.6
123.04481	2.2
125.02453	1.4
126.68014	0.6
131.01337	1.8
131.03455	0.9
133.02928	1.0
135.00847	0.7
135.04521	1.7
136.01643	29.5
137.02415	1.2
143.03499	1.4
145.02948	0.9
147.00853	1.3
149.02409	2.0
149.04538	2.7
151.03998	41.5
152.04355	0.7
155.03456	0.8
157.89990	0.7
159.04529	1.6
161.02487	3.1
161.04527	5.6
163.03957	3.1
173.02394	0.6
175.00362	3.3
175.04054	0.7
178.35176	0.6
185.02397	0.8
191.03505	1.1
193.90611	0.7
197.06020	1.0
203.07059	1.6
215.06941	0.7
237.05618	0.8
239.07063	1.3
241.04967	1.0
253.05034	1.0
263.07062	1.8
264.04300	1.0
265.05099	2.0
268.03638	1.6
269.04532	1.7
279.06732	1.2
281.04510	1.8
281.08154	2.9
283.06070	32.9
284.06219	1.4
291.06601	1.1
293.04694	3.4
294.09079	0.9
295.06131	1.3
296.06577	0.6
297.07626	1.5
308.03223	1.0
309.03979	6.1
309.07675	8.4
309.11334	2.2
311.05563	45.8
312.05960	1.8
313.03665	0.8
323.05780	3.1
323.08908	0.9
324.10089	4.2
337.03491	35.3
338.03809	1.3
339.12292	10.9
340.12271	0.8
341.06503	2.4
342.11096	2.0
353.06674	2.2
355.04376	3.6
357.13370	40.9
358.13742	2.0
381.13425	0.9
383.07599	1.3
429.17621	0.8
431.09720	1.2
457.07593	14.2
458.08234	1.0
475.08765	100.0
476.09125	5.4
501.30649	1.5
519.31335	0.7
553.05103	0.7
561.16193	10.3
561.31366	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	561.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20520	0.3
56.46351	0.2
59.01377	2.6
67.58136	0.3
69.35233	2.6
71.01374	1.2
73.02961	0.3
74.11040	0.3
77.03977	1.1
79.01888	0.9
88.98839	0.4
89.02441	0.8
93.03460	1.3
96.96010	0.4
101.02439	0.6
105.03460	0.6
113.02420	0.5
117.03458	5.2
119.05008	0.6
121.02959	1.7
131.01421	0.3
135.00890	0.5
135.04535	0.9
149.02403	0.4
149.04532	0.5
152.02785	0.3
159.04498	1.4
161.02428	3.2
161.13408	0.3
163.00317	0.3
163.04013	1.3
165.01942	1.2
169.10556	0.3
171.04404	0.4
173.06128	0.3
175.00351	0.6
182.03624	0.6
183.04471	1.5
183.08157	0.8
195.08243	0.4
196.05287	0.7
197.06050	0.9
209.06087	0.3
210.06844	0.5
211.07588	0.6
217.04874	0.3
224.04797	0.8
226.05873	0.3
233.00851	0.3
237.05408	0.5
239.07112	1.8
251.07254	0.4
253.05000	1.0
254.05774	1.0
255.06625	0.3
269.04520	3.9
279.06705	0.7
281.04538	5.6
282.05289	2.2
283.06113	50.9
284.06418	2.4
293.04617	1.8
295.06116	5.4
296.06567	0.3
307.06097	0.5
309.04071	1.1
311.05591	71.0
312.05890	3.8
314.04285	2.1
323.05600	8.6
325.07300	0.5
326.92334	0.3
341.06622	20.6
342.06897	1.0
353.06570	1.6
355.08264	0.6
383.07544	0.7
420.91415	0.3
429.17368	0.5
431.09775	10.7
432.10223	0.6
457.07651	0.6
475.08777	100.0
476.09113	8.0
523.35693	0.3
561.13562	0.5
561.22314	1.0
561.32422	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	559.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.7
58.00580	2.5
59.01376	100.0
60.01705	3.0
61.98822	22.8
71.01382	35.3
71.56471	2.9
71.87750	1.7
72.99281	2.4
73.02945	14.6
73.36602	2.2
75.00830	5.0
80.42609	1.9
82.24772	2.0
82.95404	2.2
83.01380	9.8
83.04995	1.9
85.02946	15.0
87.00869	29.0
88.98776	3.1
89.02447	20.7
93.03461	3.1
93.07636	2.3
95.01357	3.1
96.96011	11.7
99.00877	5.6
99.04471	2.2
100.59237	2.3
101.02434	27.5
109.02950	3.0
111.00886	2.0
111.33387	1.8
113.02426	22.0
115.92113	2.1
116.92901	3.8
119.03502	6.6
125.02441	3.6
131.03465	2.1
135.03033	2.8
135.04529	4.3
143.03474	3.3
161.04556	9.6
163.04004	2.4
179.05641	3.7
209.28500	2.6
253.05219	2.3
269.04510	5.5
311.05783	3.3
353.06787	5.3
361.29724	4.1
399.06940	3.3
457.11435	3.2
471.33472	7.3
473.10864	3.4
499.29001	15.1
517.30127	7.3
521.33356	5.7
523.34753	74.6
524.34833	4.4
537.77686	20.3
538.28058	4.2
559.14337	26.4
559.32355	91.1
560.14984	3.9
560.32611	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	559.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98812	15.1
69.37299	2.3
69.70281	2.5
71.01367	13.6
71.56268	5.0
71.69471	2.5
73.02941	8.7
82.74230	2.4
83.01389	3.5
85.02936	6.0
89.02436	7.3
96.39023	2.6
96.95999	23.9
101.02407	12.1
113.02415	5.8
118.99775	2.7
119.03506	4.5
125.04590	2.7
193.08647	6.6
216.83966	3.1
247.78741	2.6
337.10431	2.6
345.57724	2.4
473.27802	3.7
497.28140	4.0
515.28619	83.9
516.28937	5.4
556.69305	3.1
559.30682	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	559.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	8.3
57.03448	54.0
59.01378	24.0
62.53744	1.7
70.06407	1.7
71.01390	10.2
73.02942	2.5
75.00853	2.1
79.02106	1.7
81.00291	1.8
81.03457	17.5
82.74831	1.6
83.01382	2.2
85.02956	7.4
87.00862	1.8
89.02463	3.4
96.95985	3.7
98.19913	3.8
99.04517	11.1
101.02441	21.8
109.02953	5.1
113.02454	4.2
115.00389	2.0
117.03474	5.1
121.02966	2.7
122.03785	1.8
125.02457	5.8
126.85724	1.8
134.03734	100.0
137.02396	2.4
147.02969	6.2
149.06071	95.7
151.03909	1.8
165.05565	3.9
167.03450	3.3
175.03941	1.9
178.02693	7.6
179.07062	2.9
193.05049	34.2
267.08704	66.6
267.11566	3.6
269.04532	54.2
270.04868	3.1
309.09772	42.5
327.05087	6.0
346.13876	2.2
349.12900	22.1
361.16556	34.5
370.47775	1.8
397.15610	2.1
411.12918	62.9
412.13245	4.6
415.12231	3.4
439.10104	5.0
447.09241	6.1
523.21863	2.3
541.15326	2.5
559.16833	58.4
560.16699	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	559.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
58.00582	0.2
59.01377	10.5
61.98815	0.4
62.31290	0.2
62.57012	0.2
71.01385	4.2
71.56790	0.3
72.99306	1.4
73.02941	1.7
75.00870	45.0
82.95400	0.9
83.01391	0.8
85.02944	1.6
85.23734	0.2
86.87506	0.2
87.00874	0.6
87.04524	0.2
89.02441	2.9
95.01381	0.5
96.96013	1.2
99.00873	0.4
99.04554	0.3
101.02435	2.1
103.00380	0.9
109.02953	0.2
113.02441	1.9
115.04036	0.4
117.01919	0.8
119.03509	1.0
119.05030	0.3
121.02966	0.3
125.02443	0.3
129.01935	8.6
130.02263	0.2
133.02960	0.5
135.03043	0.3
143.03464	0.4
145.02917	0.3
147.03015	2.6
147.04218	0.4
148.05301	13.0
148.48068	0.2
149.05664	0.3
161.04533	0.7
163.07639	14.9
164.07993	0.5
165.04034	100.0
166.04405	1.2
179.05655	0.3
205.12315	0.3
233.02834	0.3
244.99026	0.2
251.07184	0.2
264.20175	0.2
267.06488	0.4
269.04584	0.5
279.06546	0.7
281.07986	0.4
293.04861	0.2
295.06131	0.6
307.06073	0.3
309.07648	0.3
311.05743	0.4
335.05814	0.3
337.07080	0.7
337.10760	0.4
353.06641	0.5
367.08020	0.3
367.13861	0.5
372.94431	0.3
439.10339	0.4
455.09924	0.4
457.11292	0.3
473.10657	0.6
499.28946	1.4
517.30328	0.6
523.34949	0.2
541.13470	0.4
558.76788	1.0
559.14752	5.3
559.33020	2.0
560.15503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1452
Annotation	3'-Deoxymaysin
Peak:m/z	Relative Intensity
59.01376	14.0
59.23596	0.4
61.98832	0.5
69.44289	1.4
69.44717	1.6
71.01384	5.2
73.02932	2.6
75.00858	0.6
79.01891	0.8
80.40206	0.4
82.95414	2.5
83.01382	1.3
85.02946	1.8
87.00854	0.9
87.04510	0.8
89.02443	3.3
95.01372	0.8
95.04490	0.4
96.18687	0.4
96.96006	2.5
97.02899	0.5
98.20652	0.7
98.95583	1.6
99.04504	1.0
99.92554	0.7
101.02419	2.7
105.20060	0.4
107.01404	0.6
107.05042	0.5
109.59076	0.4
113.02446	2.9
115.92055	1.9
116.92859	5.9
119.03521	1.1
119.05019	2.3
121.02935	0.7
125.02439	0.5
135.02992	1.2
135.04524	1.7
137.02403	0.6
137.70660	0.4
145.02930	2.2
147.04588	0.7
149.02409	0.8
151.04004	0.8
159.04501	0.6
161.02386	1.3
161.04541	1.6
163.03979	1.9
165.01833	1.0
173.02408	0.6
175.03973	1.1
177.01910	1.6
179.03476	1.7
179.05557	1.1
181.06548	0.6
189.01936	1.5
191.03514	1.5
191.08731	0.5
203.03526	1.0
205.01447	0.6
207.02972	4.5
207.08072	0.7
208.08813	0.7
209.06110	0.4
219.02922	1.2
223.07664	0.9
227.87859	0.4
235.07533	1.4
237.04034	1.5
237.09250	1.1
247.07736	0.6
251.07133	2.0
252.07922	1.6
253.05064	1.1
263.07114	0.8
265.04996	1.7
266.05750	1.3
267.06583	10.5
268.07022	0.7
269.04288	0.5
277.05185	0.9
277.08322	0.6
279.06604	7.3
280.07394	2.3
281.08163	18.7
282.08472	0.9
289.05237	0.4
291.06567	2.3
292.03577	0.5
293.05035	0.4
293.08157	2.2
295.06094	10.7
296.06390	0.6
298.04697	0.9
305.04605	0.5
306.05338	1.0
307.06158	7.0
308.06781	0.8
309.07657	7.9
311.05499	0.7
312.06442	3.1
319.05981	1.1
320.06522	0.6
321.07733	2.1
323.05521	1.7
323.08945	0.5
325.07156	3.5
335.05573	5.5
337.07141	28.1
338.07468	1.6
339.08774	0.8
340.05811	1.4
349.07050	3.0
351.05002	1.3
351.08768	1.0
353.06635	16.8
354.06985	1.0
365.06631	3.5
367.08160	13.0
368.08636	0.8
379.08029	1.8
381.06006	0.9
383.07678	10.0
384.07767	0.7
395.07535	0.9
415.10312	1.2
421.09412	0.5
425.23911	0.5
439.10287	4.8
455.09772	1.4
456.10269	0.5
457.11368	14.1
458.11975	0.6
469.11331	1.3
471.09247	1.7
472.09915	0.6
473.10806	18.1
474.11316	1.0
499.29059	2.8
517.30182	1.9
523.34540	0.7
541.13324	1.0
559.14502	100.0
559.32312	5.3
560.14874	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	557.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21457	0.3
57.23905	0.4
59.01377	11.7
61.90570	0.4
61.98825	1.0
63.04967	0.3
70.48109	0.4
71.01375	2.8
73.02943	1.6
73.19048	0.4
73.52799	0.3
83.01379	0.9
84.60136	0.3
85.02944	0.7
87.00890	0.4
92.16499	0.3
94.25548	0.4
95.01361	0.6
96.96017	3.0
99.00894	0.4
101.02430	1.2
107.05042	0.6
108.02168	0.8
109.02935	0.5
113.02428	1.5
121.02938	0.4
124.01659	1.3
124.17886	0.3
125.02428	0.8
133.02957	1.1
136.01651	0.6
138.03192	1.3
139.03969	1.7
146.03656	0.5
148.01677	3.6
149.02405	1.2
161.02412	1.5
163.03998	3.5
165.05530	0.4
173.06131	0.4
175.03978	0.4
177.09169	0.7
178.02672	0.4
185.06065	0.6
189.09192	3.2
197.05942	0.4
199.03911	0.8
201.05573	0.6
201.09210	1.1
209.06126	0.5
211.03987	0.5
213.09207	0.6
223.07588	0.4
224.04794	0.8
225.05505	1.0
227.07066	0.6
237.05481	0.5
239.07101	1.2
241.05016	1.3
251.07120	1.1
253.05116	1.0
254.05653	0.4
255.06683	0.6
255.10278	0.6
265.05127	0.6
266.06137	0.5
267.06613	0.6
269.04514	3.7
274.72397	0.4
277.05078	0.5
277.12247	1.1
279.10312	0.9
280.03741	0.9
281.04623	0.6
281.08276	0.4
282.05133	0.6
283.06165	3.2
284.06949	2.7
291.19592	1.3
293.11871	1.0
294.12640	0.6
295.06097	5.5
295.09668	1.7
296.10440	0.4
297.07779	0.6
299.02493	0.4
309.14893	0.4
310.08636	0.5
312.06302	0.4
321.11307	7.3
323.09235	2.7
337.10767	1.0
338.11584	10.6
353.13916	100.0
354.14246	4.9
401.47769	0.4
444.88828	0.4
513.26990	5.2
546.75934	0.4
550.33124	0.4
557.13043	0.8
557.25275	1.9
558.26733	0.5
560.93713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.8
57.03471	1.2
58.00618	1.3
59.01377	51.4
61.98829	4.8
64.50976	0.6
65.00359	0.8
69.03465	0.9
69.76636	3.8
71.01379	19.2
72.99302	3.5
73.02949	7.2
73.03313	0.7
75.00869	25.8
77.04007	1.8
77.80242	0.6
79.01910	1.2
81.03499	1.8
82.95452	1.0
83.01418	2.7
83.05025	6.7
85.02939	6.3
87.00908	2.3
87.04539	1.2
89.02440	15.7
93.03493	2.9
95.01424	2.3
95.05043	0.9
96.96005	10.6
97.02974	1.1
99.00914	2.0
99.04510	1.0
101.02437	12.8
101.06062	4.0
101.77578	0.6
105.03497	1.2
109.02963	0.7
111.00906	0.6
113.02446	12.4
114.53410	0.7
117.01971	1.6
117.03452	8.7
119.03461	4.9
119.05042	1.0
121.02969	1.8
123.04534	1.2
125.02444	2.2
127.03999	0.8
127.07700	0.7
129.01970	1.4
131.03468	0.8
133.03009	0.8
135.02991	66.5
135.04630	2.2
137.02432	0.9
143.03526	2.4
145.03085	0.9
145.05055	4.6
147.03040	1.4
149.02458	1.2
149.04567	0.7
159.04524	1.7
159.58636	0.7
161.02419	3.6
161.04506	4.5
161.13332	1.8
163.00385	1.0
163.04002	7.5
165.01991	1.1
165.04036	5.2
175.00381	0.7
175.03995	0.9
177.02010	0.7
178.06320	4.8
179.05621	3.7
183.04500	0.9
183.08043	1.0
187.11230	1.6
191.03706	0.7
193.08685	7.5
196.05441	0.7
197.06119	1.3
205.12335	2.3
209.06194	0.8
211.07585	1.7
224.04842	0.7
227.03392	0.9
239.07109	2.0
249.11285	1.2
251.07071	0.8
253.05077	1.5
265.05127	0.8
267.06479	3.6
268.03741	0.8
269.04474	6.7
274.37170	0.8
279.06583	2.7
281.04520	8.8
281.08109	3.8
282.05374	3.1
283.06100	46.7
284.06479	2.2
291.06567	0.8
293.04535	1.8
293.07867	1.1
295.06055	9.8
307.06125	2.3
309.04010	1.5
309.07755	2.0
311.05579	100.0
312.05969	5.8
314.04337	3.4
321.04065	1.6
321.07541	0.8
323.05530	11.3
325.07068	1.6
335.05661	1.1
337.07181	5.2
337.23782	1.1
339.05038	1.0
341.02502	1.5
341.06641	29.4
342.06882	1.2
349.07324	1.4
351.04782	1.0
353.06641	6.3
355.25015	0.9
365.06793	1.1
367.08258	2.2
371.07559	0.8
377.06711	1.4
379.14038	1.1
383.07620	2.5
395.07776	3.4
409.08914	0.7
413.08630	6.5
429.17493	0.9
439.10355	2.4
455.09503	1.6
457.11102	3.8
469.11481	0.9
473.10800	4.0
477.74741	0.7
499.29041	9.9
517.30426	4.3
541.13269	2.1
552.63715	0.8
558.31219	1.0
559.14349	62.7
559.31775	4.2
560.14728	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	557.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36591	0.2
59.01375	5.1
65.00342	0.2
71.01379	1.8
73.02941	1.1
75.00883	0.5
83.01380	0.6
85.02954	0.8
88.05939	0.2
89.02438	0.4
95.01379	0.3
96.96044	0.9
98.19885	0.6
99.00897	0.3
101.02453	1.1
107.05069	0.2
108.02169	0.5
109.02943	0.2
113.02470	0.6
115.99775	0.2
116.92879	0.5
121.02960	1.9
124.01707	1.0
125.02477	0.2
133.02974	0.4
136.01721	0.2
137.02460	0.8
138.03265	0.7
139.03996	1.0
145.02969	0.4
148.01653	1.7
148.48067	0.2
149.02426	2.2
151.04027	0.8
157.06586	0.2
161.02444	0.8
161.04597	0.2
163.04010	2.7
173.06161	0.3
175.04056	0.3
175.07703	0.6
177.09248	0.4
181.06616	0.2
183.04457	0.3
185.06128	0.5
189.09265	0.5
197.06099	0.5
199.04037	0.5
199.07729	0.2
201.09193	0.7
203.03317	0.3
209.06096	0.7
210.06895	0.5
211.04063	0.8
212.04549	0.2
213.05603	0.4
213.09189	0.3
215.07184	0.3
221.05959	0.3
222.06935	0.3
224.04829	0.6
225.05534	0.5
226.06378	0.4
227.03169	0.2
227.07129	0.3
227.10820	0.4
237.05489	1.0
238.06389	0.7
239.03523	0.3
239.07126	0.7
239.10817	0.2
240.04195	0.6
241.04997	0.7
241.12354	0.7
242.05766	0.3
246.37880	0.2
249.05490	0.8
250.06418	0.5
251.03595	0.5
251.07043	0.6
251.10770	0.4
252.04358	0.3
253.05064	0.9
253.08772	0.6
254.05945	1.2
254.09406	0.5
255.06435	0.3
265.05051	2.0
265.12289	1.5
266.05728	1.1
267.03021	1.0
267.06375	0.4
267.10217	0.3
268.03690	1.1
269.04587	1.2
269.08228	0.4
269.11789	1.4
272.38367	0.2
277.05109	1.9
277.08020	0.3
277.12390	0.5
279.02985	1.0
279.05841	0.2
279.10297	0.3
281.04526	0.8
281.07959	0.2
282.05313	2.6
283.06113	5.0
284.06760	1.5
291.19626	0.3
293.04562	0.5
293.11755	2.1
294.05322	2.9
294.08472	0.4
294.12366	0.2
295.06152	5.7
295.09680	0.8
296.06567	0.5
297.07648	9.4
298.08221	0.7
309.07684	10.5
309.11319	4.0
309.14926	0.4
310.08148	0.9
310.11490	0.3
319.09750	0.5
321.11288	4.2
322.08362	0.6
323.09259	0.7
335.13025	0.5
337.10815	10.0
338.11566	11.9
339.11972	0.6
351.12460	0.4
352.13141	15.4
353.13910	100.0
354.14230	5.0
395.14771	0.3
497.18164	0.5
513.27087	1.0
526.78656	0.2
535.78577	1.5
536.28552	0.7
557.20203	15.3
558.20599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01375	4.3
61.98817	0.6
69.40262	2.7
71.01373	1.6
73.02943	1.1
78.95898	1.0
79.95728	3.4
82.95410	0.4
85.02937	0.4
89.02452	0.7
93.03488	0.5
95.05020	0.3
96.96007	100.0
97.95913	0.4
98.95560	2.4
98.96490	0.4
99.92580	1.4
101.02455	1.3
102.83172	0.3
113.02430	1.0
114.93362	0.4
115.92055	2.2
116.92853	7.4
117.03454	2.5
119.04993	0.4
119.21483	0.3
121.02937	0.5
123.04524	9.2
125.02407	0.5
138.93536	0.3
147.04529	0.5
149.02426	1.5
153.05563	8.8
161.02414	1.3
161.04573	0.6
161.06006	0.4
163.03973	0.7
164.04697	0.4
165.01964	0.3
169.05144	0.3
174.03226	0.3
175.00327	1.3
175.04004	0.9
177.01915	0.7
187.03990	0.7
189.01880	0.4
189.05522	1.0
190.02713	3.8
201.01906	1.0
203.03569	0.6
203.07111	2.9
205.05022	4.6
205.06804	0.5
215.07030	0.4
217.01265	0.4
223.06056	1.2
231.02986	0.4
231.06613	3.6
231.08894	0.6
233.04626	0.5
243.02843	0.5
243.06705	0.4
247.06119	0.7
255.06790	0.4
261.07672	1.2
269.04556	0.4
273.07535	0.5
275.05588	2.8
279.06470	0.4
281.04495	1.0
282.05347	0.5
283.06104	3.6
289.74820	0.3
293.04492	0.5
294.05164	0.4
295.06030	2.1
305.06799	1.8
307.06198	0.6
309.07437	1.5
311.05545	5.6
314.04297	0.4
321.03973	0.4
321.07651	0.6
323.05566	4.1
326.04483	0.4
328.94034	0.4
335.05618	0.5
337.03729	0.6
337.07190	2.0
339.05023	0.7
341.06555	1.9
349.07202	0.7
351.04996	0.6
353.06610	1.0
363.05002	1.1
367.10428	8.3
391.08392	0.5
393.10034	2.0
395.09741	1.2
431.09882	2.7
437.08493	1.8
441.89313	0.4
443.09760	1.2
453.11938	0.4
457.11475	2.4
467.09933	0.6
483.09314	5.2
484.09793	0.3
513.14001	1.6
521.16693	4.2
521.33063	1.0
526.38959	0.4
539.11731	0.6
557.12952	27.9
558.13092	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	557.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77342	0.2
54.90135	0.2
59.01378	32.8
61.98845	2.0
71.01381	2.8
71.56860	0.4
72.99329	0.4
73.02946	1.9
75.00859	0.5
78.95911	0.5
79.95743	2.3
83.01376	0.7
83.05039	0.3
84.40909	0.3
85.02949	1.6
87.00868	0.5
88.53851	0.2
89.02451	0.6
95.01396	0.4
96.96007	100.0
99.00906	0.4
101.02443	2.3
103.03012	0.3
104.64001	0.3
111.22015	0.2
111.99959	0.2
113.02470	1.4
114.93410	0.5
116.92855	1.2
119.03542	0.4
123.04472	0.3
125.02451	0.8
137.09634	0.3
157.73552	0.3
161.04565	0.7
179.61768	0.3
180.15714	0.3
183.52351	0.3
207.13834	0.3
218.71646	0.3
230.24564	0.3
291.19537	1.0
309.20660	0.6
357.26358	1.4
411.17062	0.3
415.23163	0.4
428.68390	0.3
441.24649	0.3
471.19293	0.6
497.27222	0.5
513.26990	3.8
557.13580	1.1
557.29651	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	557.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14862	0.3
59.01383	4.0
61.98834	0.8
71.01382	2.0
71.56062	0.5
71.56403	0.5
73.02930	0.6
78.95879	0.5
79.95721	0.7
82.95403	0.4
85.02949	1.3
87.00846	0.3
89.02482	0.4
92.60944	0.3
93.03448	1.3
95.01373	0.5
96.96008	25.1
98.95564	1.2
99.92565	0.6
101.02419	0.9
107.01372	0.7
111.04512	0.4
113.02444	1.3
115.92049	0.8
116.92861	3.1
117.03472	6.3
119.05025	0.8
121.02953	0.7
123.00832	0.3
123.04490	1.1
125.02449	0.9
131.01366	0.8
133.02916	0.6
135.00801	0.3
135.04517	0.9
145.02905	0.6
147.00887	0.4
147.04561	0.7
149.02422	1.6
150.03223	0.3
153.05563	0.9
154.80234	0.3
159.04523	0.5
161.02448	3.8
161.04509	0.4
163.00366	0.8
163.03973	0.9
164.91982	0.3
165.01852	0.3
173.02374	0.5
175.00320	1.2
175.03954	1.1
177.01938	3.0
185.02339	0.6
187.03899	0.4
188.01079	1.0
189.01874	2.2
190.02602	0.4
191.03482	0.7
201.01897	1.0
201.05537	0.3
202.02689	0.5
203.03474	1.0
203.07118	0.5
204.00693	0.4
205.01413	0.8
205.05067	0.8
206.07159	0.4
207.02916	0.8
213.05585	0.6
215.03616	0.4
215.07030	0.4
219.02985	1.1
219.06560	0.4
221.06071	0.5
224.04924	0.6
225.05554	0.6
229.05087	0.8
231.02928	1.2
231.06660	0.6
237.05635	0.5
239.07201	0.5
241.04926	0.4
247.06201	0.5
251.07106	0.5
253.05063	0.7
254.05615	0.8
257.04575	0.7
261.07611	0.5
265.05014	0.6
267.06680	0.8
268.03659	0.8
269.04553	3.5
275.05566	1.8
279.06561	0.6
281.04553	3.2
282.05292	2.1
283.06119	9.2
284.06400	0.4
287.05539	0.4
292.03619	0.4
293.04648	2.0
294.05243	0.7
295.02594	0.8
295.06030	5.7
296.06842	1.0
297.04156	3.9
297.07401	0.6
298.04703	0.4
299.06027	0.5
305.04309	0.5
307.06110	1.2
308.03290	0.5
309.04089	3.1
309.07379	0.5
310.04651	0.5
311.05612	13.6
314.04248	4.7
321.04102	0.6
321.07532	0.4
322.04712	1.2
323.05618	6.0
324.06021	0.5
325.03522	1.4
328.05856	1.3
335.05676	0.5
335.09412	0.5
337.03540	9.8
337.07178	0.7
338.04138	1.2
339.00989	0.5
339.05066	9.4
340.05505	0.4
341.06693	1.8
347.09299	0.8
349.07022	1.2
350.04242	1.2
351.05081	8.3
351.09137	0.3
352.05380	0.4
353.06470	0.5
353.10428	1.9
363.04868	0.6
363.08929	0.7
365.10562	1.6
367.04468	3.6
367.09979	1.2
369.06104	2.8
381.05795	0.5
381.09882	1.2
391.08228	2.0
393.09848	5.4
395.10153	0.5
397.05682	0.4
409.09189	2.1
419.07761	0.8
423.10889	0.4
431.09799	1.6
437.08743	7.9
439.10477	0.4
445.07898	2.8
446.07956	0.4
457.07819	1.0
459.08963	0.6
467.09607	1.0
470.08887	0.5
471.09283	1.1
483.09415	1.6
487.08859	3.2
489.10443	0.7
513.14044	0.8
521.16614	0.4
529.13403	1.2
535.89325	0.4
539.11865	1.7
557.12952	100.0
558.13342	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	555.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62315	0.2
59.01384	2.2
61.98806	0.5
70.37238	0.5
70.37605	0.4
71.01371	0.5
73.02934	0.3
75.29417	0.2
78.95904	0.6
79.95741	3.0
81.30939	0.2
89.02430	0.3
94.98078	0.3
96.96012	100.0
97.95940	0.3
101.02451	0.4
113.02501	0.4
114.93422	0.6
216.28558	0.2
299.96292	0.2
356.92032	0.2
555.11639	0.7
556.20844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30792	0.1
53.42912	0.1
55.74350	0.1
57.12712	0.1
59.01381	1.7
61.98831	0.2
71.01369	0.4
73.02979	0.2
78.91869	0.3
78.95898	0.4
79.95731	2.6
82.95411	0.5
83.01373	0.1
85.02949	0.1
96.96005	100.0
97.95915	0.3
101.02448	0.4
109.02945	0.1
113.02456	0.3
113.92581	0.1
114.93409	0.2
125.02452	0.3
131.39873	0.1
149.02469	0.3
150.03259	0.3
165.05533	0.1
188.44708	0.1
190.02609	0.2
195.06615	0.1
205.05074	0.2
253.04991	0.1
269.04596	0.2
329.13846	0.2
358.09299	0.1
413.22070	0.2
477.19223	0.4
513.28986	0.1
555.23145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.32003	0.9
59.01360	1.2
71.01379	4.6
73.02955	1.4
78.98589	5.9
79.95731	9.2
80.96512	59.5
85.02950	3.5
87.00867	2.0
94.98079	13.2
101.02429	1.9
106.98059	2.2
122.97569	2.7
125.02439	2.9
134.97549	4.3
136.99164	1.4
141.30280	1.0
148.99129	4.5
152.98671	5.1
164.98616	10.4
206.99634	2.9
213.61121	1.1
221.60538	1.1
225.00705	15.4
247.98256	1.1
255.23222	1.9
299.04440	2.9
310.08069	0.9
467.15247	1.1
515.72949	1.2
519.18744	1.2
555.28351	100.0
556.28766	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	557.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60700	0.3
56.11309	0.3
59.01368	1.3
60.40507	0.3
61.98849	0.3
65.00322	0.4
70.55357	0.3
71.01378	1.4
71.35359	0.7
73.02934	0.5
77.03947	0.4
79.01895	0.6
81.03462	0.7
83.01387	1.3
85.02946	0.8
89.02426	0.4
92.52920	0.3
93.03468	2.2
94.42670	0.3
95.01402	0.9
95.05042	0.4
97.02948	1.3
101.02419	0.5
105.03436	0.4
107.01388	0.9
109.02949	1.0
111.00882	0.4
113.02450	0.4
117.03454	3.9
119.05005	1.0
121.02921	1.5
123.00894	0.5
123.04521	1.2
123.64320	0.3
124.95929	0.3
125.02438	2.3
131.01381	0.4
131.05005	0.4
133.06593	0.6
135.04495	0.8
137.02457	1.1
137.06012	0.3
137.89442	0.3
139.03989	0.4
143.05035	0.3
145.02911	0.9
145.06590	0.6
147.04507	1.3
149.02390	1.8
149.06081	0.3
151.00363	0.7
153.01924	0.4
157.06596	0.8
159.04477	0.8
161.02399	2.0
161.06039	1.2
162.03101	0.4
163.00307	0.9
163.04013	1.5
163.07709	0.4
164.01178	0.6
165.01920	2.6
166.02637	0.5
167.03482	0.4
169.94266	0.3
173.02475	0.5
173.06073	1.1
174.03253	0.4
175.00328	0.3
175.03984	1.8
175.07622	0.9
176.01160	0.4
177.01965	1.5
177.05605	0.4
179.03484	0.8
183.04471	0.5
183.08168	0.5
185.06033	1.2
187.03976	0.7
189.01866	1.1
189.05557	1.5
190.02628	0.5
190.99907	0.4
191.03476	0.9
192.00627	0.6
193.01471	0.7
197.06007	0.7
199.03955	0.5
201.05644	1.6
203.03479	2.8
203.07132	2.0
204.00720	0.4
204.04170	0.4
205.01431	1.5
205.05008	1.4
207.02986	1.2
209.06094	0.4
210.06776	0.5
213.05580	0.5
215.03487	0.6
217.01462	0.5
217.04993	1.5
219.03003	0.5
219.06613	2.7
225.05511	0.6
229.01326	0.4
229.04971	1.3
231.02974	0.7
231.06653	1.8
232.03659	0.4
233.00876	0.5
233.04530	5.6
237.05548	0.7
239.07014	0.7
241.04933	0.6
243.06615	0.8
245.04549	2.4
246.05246	1.0
247.06068	7.4
251.07195	0.4
253.05037	0.6
254.05713	0.4
255.06766	0.4
257.04498	1.3
259.06036	1.8
261.07675	0.4
266.05896	0.5
267.02884	0.4
267.06741	0.3
268.03876	0.6
269.04486	3.5
271.06033	0.6
273.04013	0.5
275.05594	61.0
276.06064	2.1
277.07156	0.9
279.06445	0.4
281.04562	4.1
282.05283	1.8
283.06116	11.0
284.06503	0.4
287.05569	5.4
289.07169	1.3
293.04578	1.3
295.06116	3.4
296.06924	0.3
297.04199	1.6
299.05499	2.6
301.07071	0.6
305.06641	26.0
306.06921	1.1
307.06061	0.8
308.03418	0.4
309.03983	1.0
309.07703	0.5
310.04776	0.7
311.05600	13.8
312.05869	0.9
314.04315	2.3
315.05090	0.6
317.06662	8.7
319.08267	0.9
321.04044	0.5
321.07672	0.8
322.04700	0.6
323.05621	4.0
325.07193	0.4
329.06726	1.8
337.03561	1.5
337.07034	0.6
339.05060	1.3
341.06635	5.6
343.04541	1.6
347.07697	5.2
349.07123	0.8
351.05032	3.2
353.06516	0.8
359.07730	0.7
363.08722	0.4
365.10464	0.5
367.04602	0.8
369.05984	1.0
373.05594	0.6
377.08517	1.6
381.05963	0.9
391.08240	0.5
393.09979	2.0
395.09796	22.6
396.09940	1.1
399.06989	0.5
409.09293	0.8
419.07755	1.0
423.10846	1.4
431.09723	2.1
437.08664	8.3
438.09335	0.4
463.08951	1.7
467.09531	2.7
471.09534	1.0
487.08893	0.7
513.13580	0.4
529.13440	0.9
539.11725	2.3
557.12946	100.0
558.13306	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	555.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
61.98824	0.4
69.24809	0.2
69.28369	0.3
69.28775	1.3
71.01375	0.8
73.02934	0.5
78.95886	0.6
79.95724	2.8
82.95419	0.3
83.01395	0.2
89.02441	0.5
96.96004	100.0
101.02429	1.0
113.02454	0.4
113.92629	0.2
114.93385	0.6
115.45728	0.2
120.80981	0.2
122.06106	0.2
123.04625	0.2
125.02486	0.3
133.02922	0.2
153.01973	0.2
161.04456	0.3
164.00240	0.2
175.79037	0.3
224.04713	0.2
255.06601	0.3
268.03586	0.5
269.04517	9.4
270.04883	0.9
271.05255	0.5
283.06021	0.2
311.05618	0.9
327.02869	0.2
555.11084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	2.4
69.56322	4.5
78.81393	0.7
80.02672	2.8
94.93021	0.7
103.69529	0.7
108.02171	40.4
109.02939	2.8
109.98582	0.7
123.04519	65.4
124.04836	1.2
148.01653	21.2
156.95410	0.7
163.03979	12.0
210.04741	0.7
211.03978	12.6
229.10165	0.7
239.03470	52.8
240.03812	1.6
252.04227	4.1
254.05820	84.5
255.02986	10.1
255.06168	3.0
259.09698	1.9
266.25354	0.7
267.06671	0.9
269.08170	98.5
270.05316	2.2
270.08508	2.5
278.02179	0.7
285.07733	11.0
288.03970	0.8
301.05014	0.9
306.74551	0.8
313.05170	1.0
315.06586	3.3
316.03992	0.8
327.06995	1.1
329.04431	1.2
329.08069	1.3
341.04276	1.6
342.05295	10.6
343.06107	9.1
356.06973	1.5
357.03574	1.4
357.07648	18.1
358.04764	1.4
358.08463	11.7
371.09192	2.3
371.84717	0.8
372.09842	2.3
373.07065	0.8
373.11014	4.5
375.08643	1.5
376.09518	0.8
386.04175	5.6
387.08377	0.8
388.05835	1.4
389.09802	1.0
390.11087	3.9
391.11871	3.8
401.06610	11.1
402.06992	0.8
403.12067	3.3
405.13416	100.0
406.13742	5.6
416.08902	14.2
431.11340	29.7
432.11755	2.0
493.09183	1.1
507.11230	1.5
508.11658	2.4
511.17529	1.5
522.13586	1.2
523.13898	12.4
537.15607	7.8
555.16559	34.6
556.16827	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	554.346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08153	0.2
59.01378	22.6
61.98826	0.6
69.31821	0.5
69.32236	1.4
72.98582	0.2
78.95901	18.2
85.38374	0.2
96.96935	0.3
102.70203	0.2
117.40742	0.2
122.98563	0.5
125.45127	0.2
149.14406	0.2
152.99577	3.0
168.04327	2.3
182.32846	0.2
223.54527	0.2
224.06931	7.0
237.22334	0.2
242.07849	1.8
255.23279	100.0
256.23605	4.0
392.54996	0.2
394.20892	0.2
480.30917	68.9
481.31238	4.4
582.54224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
59.97205	0.2
59.99802	0.2
78.95904	5.7
111.26350	0.2
138.29877	0.2
152.99561	0.8
168.04286	1.8
216.34702	0.2
224.06868	0.6
239.45393	0.2
242.08000	2.6
260.12335	0.2
261.22174	0.3
279.23264	100.0
280.23596	4.7
359.60223	0.3
504.30927	42.1
505.31277	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	554.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98814	1.2
66.59352	0.4
78.95898	21.0
96.96941	0.5
108.02198	0.5
109.82245	0.3
117.91857	0.3
122.98522	0.6
131.86954	0.3
152.99564	3.3
168.04291	3.7
176.11232	0.4
224.06886	8.3
242.07990	2.1
271.52393	0.4
279.23257	100.0
280.23676	4.3
333.85641	0.4
504.30914	81.7
505.31390	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	553.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34518	0.5
59.01377	2.1
61.98821	1.9
69.22026	3.9
69.22446	2.1
71.01385	10.0
73.04080	1.0
79.09716	0.5
80.82822	0.6
81.04574	0.9
82.02980	5.4
82.66867	0.5
84.04551	1.4
85.04070	43.4
86.02457	1.7
87.05638	12.1
88.04037	8.7
88.98812	0.8
96.96021	1.9
97.04060	1.4
98.19924	1.0
102.00185	5.7
107.06135	0.8
109.04063	1.8
111.02022	1.4
111.22798	0.7
111.75743	0.6
112.02782	1.1
113.03561	3.0
119.02828	3.9
121.04076	0.8
123.04539	1.8
123.33640	0.6
125.02492	0.6
125.03510	0.7
125.25439	0.6
127.05125	11.9
128.03537	96.2
129.03960	0.8
135.05621	6.2
143.15390	0.6
145.06190	3.1
150.06746	1.0
152.08290	8.8
153.06680	5.8
154.64291	0.7
157.06177	61.8
158.06488	0.8
159.07727	4.0
161.69327	0.7
166.06238	3.6
170.09369	0.9
174.02277	13.0
178.06268	5.7
178.08678	6.5
179.04608	11.0
184.04915	4.8
184.07216	2.3
185.05627	1.4
191.04961	6.0
196.07278	17.6
197.05685	2.3
207.34109	0.7
212.05122	0.6
214.08299	3.0
215.14032	1.0
224.10370	3.0
232.13446	1.4
242.11490	1.6
248.07085	3.0
268.09360	10.1
286.10443	23.2
302.08148	5.6
320.09183	99.4
321.09476	2.5
360.17960	1.0
424.19110	3.2
463.12936	0.9
481.21304	0.7
535.22382	6.2
553.23358	100.0
554.23737	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	553.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.7
61.98829	6.9
66.03493	1.1
67.10673	0.7
69.48861	5.0
71.01379	10.1
73.02954	1.0
73.04085	0.8
82.02984	5.6
84.04534	0.9
85.04070	40.2
85.71102	0.7
86.02491	1.8
87.05630	13.8
88.04034	8.6
89.77797	0.7
96.96017	4.7
97.04080	1.3
101.02461	1.1
102.00169	5.2
107.06149	0.7
109.04059	2.1
111.01992	1.2
112.02798	1.7
113.03585	2.4
116.99231	0.8
119.02824	2.8
122.03749	1.3
123.04521	2.5
127.05128	9.3
128.03535	90.2
135.04654	1.0
135.05634	6.8
145.06180	2.3
149.02440	1.0
149.73763	0.7
150.03148	1.0
150.06775	1.2
152.07217	1.1
152.08296	8.7
153.06699	5.2
153.71844	0.7
157.06171	57.8
158.06554	0.9
159.07753	4.2
162.05649	1.0
163.03970	0.9
164.04675	0.8
166.06192	3.8
169.72726	0.7
174.02281	13.4
175.03938	1.4
177.05602	0.9
178.06247	6.5
178.08684	6.3
179.04610	11.2
183.11826	0.8
184.04816	2.8
184.07246	2.3
184.94341	0.8
185.05618	1.5
191.03444	1.1
191.04950	5.0
193.05035	1.5
193.08710	2.3
196.05449	1.0
196.07256	19.3
197.05705	1.6
197.60904	0.7
203.03500	3.3
208.07390	1.9
212.04971	1.2
214.08244	2.4
215.14027	1.0
218.05817	2.2
221.04465	0.9
224.10439	3.3
236.06987	1.5
242.11403	1.6
248.07016	2.9
251.09296	10.7
268.09335	10.9
286.10431	22.1
293.10150	2.7
295.08130	5.7
302.08136	6.3
314.02838	0.9
320.09174	96.5
321.09424	2.9
343.11087	0.8
424.18964	3.4
463.13464	1.4
535.22321	5.8
553.23358	100.0
554.23737	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	553.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01376	4.2
61.98822	0.9
70.81247	0.2
70.81574	0.3
71.01372	1.5
71.62788	0.2
72.99287	0.2
73.02932	0.7
76.65192	0.2
78.95895	0.5
79.95739	3.2
83.01379	0.5
85.02956	0.5
87.00880	0.3
89.02445	0.4
93.03422	0.4
94.98079	0.9
96.96007	100.0
97.02906	0.2
97.12025	0.2
97.95990	0.2
99.00879	0.6
100.01705	0.2
101.02431	0.8
111.00885	0.7
113.02428	0.6
114.93420	0.5
123.04585	0.2
125.02436	0.2
126.91005	0.2
128.01129	0.2
137.02444	0.6
149.02428	0.3
149.04483	0.2
150.03221	1.5
156.00641	2.8
160.97969	0.2
161.04535	0.3
165.05551	1.8
183.13957	0.3
195.06577	1.2
203.05585	0.3
207.13818	0.3
269.04498	0.2
281.33392	0.1
327.12262	0.3
339.12167	0.4
355.25089	0.2
441.73508	0.2
467.16498	0.2
553.25104	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	553.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15800	0.2
57.03434	0.1
59.01379	4.0
61.98830	1.1
65.08814	0.1
65.64521	0.1
70.80590	0.5
71.01395	1.2
73.02943	0.7
74.72466	0.1
75.00864	0.2
78.95889	0.6
79.95736	2.7
85.02956	0.5
89.02466	0.2
92.68476	0.2
93.03462	0.2
94.98083	0.6
95.01398	0.2
96.96006	100.0
97.95963	0.2
99.00890	0.5
100.01698	0.2
101.02424	0.8
111.00845	0.4
113.02410	0.5
113.99599	0.2
114.93401	0.6
121.02956	0.2
122.03741	0.2
128.01175	0.4
130.22784	0.1
137.02429	0.5
146.09926	0.1
149.02475	0.4
150.03215	1.7
156.00653	2.3
160.07584	0.2
164.04796	0.2
165.05550	1.5
175.02484	0.1
175.04008	0.1
179.00951	0.2
183.13986	0.2
195.06593	1.4
207.13829	0.3
227.12907	0.2
269.04440	0.2
309.07712	0.2
327.12436	0.5
333.73541	0.2
339.12369	0.3
355.24963	0.2
466.06110	0.2
467.15469	0.3
553.12140	0.3
553.25128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54677	0.4
61.98819	0.8
65.00308	2.1
71.25859	0.9
80.02673	2.9
91.01898	0.7
95.01385	0.8
97.02965	2.8
108.02170	55.9
109.02524	0.7
119.01417	0.4
123.04521	100.0
124.01667	1.1
124.04838	1.6
125.09723	1.8
135.00847	1.6
148.01668	1.3
151.03973	0.9
163.00357	0.9
167.03485	0.8
187.09776	1.1
195.04527	1.1
211.03978	11.1
212.04422	0.6
223.04044	0.5
226.02667	1.9
227.03523	3.4
238.06319	1.1
239.03485	24.5
240.03958	0.6
241.05110	3.6
243.06662	0.7
254.05835	32.7
255.06160	1.2
257.08121	2.9
261.13467	0.6
269.04709	2.2
269.08160	34.5
270.08569	1.6
277.21643	1.2
285.05508	0.6
286.06473	1.1
288.04401	1.1
289.05109	0.6
290.05914	0.8
301.05081	1.3
301.08292	0.6
302.05835	1.3
303.06741	0.5
313.05029	2.2
314.05826	5.5
316.03842	0.7
317.08163	1.2
323.27252	0.6
328.07184	0.9
329.04486	2.2
329.08197	1.6
330.05368	2.9
331.05972	0.9
341.04410	1.4
342.05389	0.8
343.09830	0.6
344.06961	0.8
344.10675	0.9
345.07639	6.5
347.09244	0.5
356.03067	0.6
356.06958	1.6
357.03943	1.0
357.07794	0.6
358.04800	23.4
359.05273	2.1
359.09149	0.6
360.10049	2.0
371.09247	1.5
372.06311	3.7
373.07135	40.7
374.07690	3.3
375.12442	0.7
387.08722	5.8
388.09491	8.1
389.10074	1.8
390.11090	1.5
400.05753	1.0
403.11816	93.8
404.12210	5.5
415.08377	0.9
421.07169	0.6
425.89954	0.7
430.10602	3.3
451.11710	0.6
464.09024	2.4
479.11310	5.2
493.12683	0.6
494.13824	2.7
503.29776	0.7
509.15985	14.8
510.16769	0.8
525.15369	1.9
538.12427	0.7
553.14996	39.0
553.33069	1.1
554.15369	3.7
577.74866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70732	0.4
59.99790	0.5
61.98821	1.2
68.99566	2.0
79.23844	0.5
82.40642	0.4
93.00031	0.5
98.19881	1.6
106.73246	0.4
107.84711	0.5
108.02155	4.3
112.98550	1.7
119.95997	0.5
123.04514	5.4
129.32651	0.4
136.72008	0.5
149.11446	0.4
171.48132	0.5
211.03989	5.5
212.04257	0.4
229.34929	0.5
239.03476	12.9
240.03815	0.5
254.05829	16.4
255.06186	0.7
255.23209	0.5
269.08173	15.1
270.08505	0.8
285.05539	1.8
301.05026	1.1
313.05014	2.9
316.03760	0.7
327.06616	4.1
329.04498	5.0
340.03644	0.7
341.04498	4.1
342.05197	2.9
342.09015	2.0
344.06808	0.7
345.04059	1.0
356.06967	4.4
357.03931	1.2
357.07639	2.5
363.06754	0.5
368.03540	0.5
371.09180	2.8
373.03397	2.7
375.06677	1.0
388.05853	3.7
389.10245	2.4
392.06781	1.0
400.05832	2.1
403.06119	1.3
403.11560	0.5
404.06818	1.5
415.08182	3.6
419.05389	1.4
420.06384	1.8
430.10544	1.4
431.05356	1.3
432.06177	2.5
435.08765	2.3
447.03992	2.4
448.05786	6.4
449.06158	0.7
459.04938	1.8
460.05936	0.5
462.07489	3.3
463.08173	8.8
464.08722	0.6
474.07404	3.8
476.05313	1.9
477.09848	3.5
478.10501	2.2
489.09692	4.2
490.07043	1.7
491.07678	12.2
492.12766	0.6
493.12860	1.1
505.09448	2.3
506.10059	19.6
507.10117	2.0
520.11798	0.6
521.12372	100.0
522.12585	9.1
553.15192	0.8
553.26923	0.7
578.44385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0753
Annotation	Moghatin
Peak:m/z	Relative Intensity
59.01373	1.8
61.98829	0.4
63.02398	0.7
65.00343	0.4
68.75013	0.2
69.25558	1.0
69.25986	1.3
71.01361	0.4
73.02933	0.3
83.01372	0.3
86.10593	0.2
88.33392	0.3
88.98853	0.3
89.00307	0.3
91.01884	0.6
94.98083	0.9
96.95993	1.0
98.20591	0.6
101.02417	0.3
107.01389	0.9
109.02939	0.3
118.01320	0.2
133.02934	2.3
135.00879	0.4
135.04521	0.5
137.02444	0.3
150.03288	0.3
157.02966	0.3
159.04504	0.8
180.05786	0.4
181.06604	1.4
183.04480	0.6
196.05255	0.5
197.06047	0.7
201.05577	0.9
209.06075	0.6
211.04106	0.3
213.05573	0.3
224.04755	1.3
225.05501	0.9
240.04150	0.3
241.05008	0.5
253.05054	1.5
255.06601	0.6
267.03030	0.5
268.00952	0.5
268.03772	6.2
269.04520	100.0
270.04883	4.0
271.06125	0.4
282.05405	0.4
283.06104	0.9
291.06561	0.7
311.05600	7.6
331.11847	0.7
335.05460	0.6
336.75272	0.3
353.06509	0.4
552.31689	0.3
553.09473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
61.54242	0.4
61.98827	1.4
69.06055	0.4
69.27271	2.0
69.27704	1.8
71.01392	0.6
73.02952	1.1
74.98946	0.5
78.95882	2.2
85.02971	0.5
87.00893	0.6
96.96042	0.6
98.19926	1.1
99.00896	0.5
99.04513	9.7
100.04851	0.9
101.02420	0.7
118.33605	0.4
126.32108	0.5
128.96913	0.4
129.71640	0.4
142.97139	0.5
152.99605	3.3
211.03981	9.8
225.54297	0.5
239.03481	45.3
240.03835	1.9
254.05826	63.3
255.06235	1.8
269.08170	100.0
270.08499	3.9
388.37427	0.4
407.07498	0.5
422.54984	0.5
465.22739	0.8
491.81577	0.5
527.40472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41740	0.2
58.70404	0.2
59.01392	1.1
61.98820	0.3
70.84017	0.5
78.95900	7.5
102.36242	0.2
112.52057	0.2
152.99551	0.9
168.04279	1.7
171.00658	0.3
223.00108	0.3
224.07042	1.2
224.08830	0.3
233.22696	0.5
242.07957	3.6
259.20697	0.6
275.20114	0.3
277.21695	100.0
278.22034	5.4
494.84201	0.3
502.29367	48.1
503.29764	2.8
569.64410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
61.98830	0.9
66.93439	0.3
70.05611	1.8
78.95901	30.2
81.16831	0.3
93.57172	0.4
96.96980	0.5
98.20549	0.6
113.06067	0.4
122.98509	0.4
125.09712	0.7
152.99557	3.2
155.33359	0.4
168.04311	4.0
224.06897	11.1
233.22760	0.5
242.07898	2.7
253.21655	1.8
259.20593	0.8
265.36996	0.4
275.20108	0.4
277.21701	100.0
278.22076	4.9
353.05475	0.4
393.62915	0.4
406.84814	0.4
463.59708	0.5
478.29337	0.7
502.29373	96.1
503.29840	5.9
504.43094	0.4
505.55862	0.4
553.15063	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	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76582	0.6
59.01373	10.4
61.98854	0.8
70.45776	2.2
71.01372	2.5
80.30769	0.6
85.02962	0.7
89.02435	2.0
101.02441	2.7
113.02444	1.0
143.03346	0.7
161.04538	1.1
177.14499	0.7
232.03224	0.7
235.08171	2.8
253.09273	12.6
255.23274	100.0
256.23645	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	552.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99550	0.2
59.01373	1.1
61.98825	100.0
62.81781	0.2
69.82870	0.8
71.01389	0.7
72.99316	0.4
73.02937	0.3
84.56764	0.2
85.02937	0.3
88.98812	0.7
89.02457	0.4
95.49545	0.2
96.96015	0.6
98.20536	0.4
100.94445	0.2
101.02467	0.9
108.04595	0.2
113.02452	0.5
119.03585	0.2
120.01366	0.2
122.03738	0.3
134.03743	1.7
135.04089	0.7
149.02408	0.4
149.06039	0.3
150.03242	1.3
151.03949	0.5
151.05127	0.3
161.04617	0.4
165.05530	1.5
166.05951	0.6
169.06169	0.3
175.04041	0.3
178.02711	0.7
179.03110	0.3
181.05092	0.4
190.02753	0.3
193.05040	2.0
194.05437	0.9
195.06638	0.7
196.07024	0.4
198.07269	0.2
205.05223	0.4
229.44524	0.2
235.06099	0.6
294.54910	0.2
369.91214	0.2
389.12411	0.3
390.12714	1.5
489.16147	0.6
542.77966	0.3
552.19312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72776	1.3
52.84020	1.4
53.14086	1.6
57.03424	6.2
58.00572	1.6
59.01377	65.2
61.98812	5.0
69.03432	2.3
71.01381	29.9
71.58883	1.7
72.99291	2.0
73.02927	7.0
75.00845	5.3
83.01353	2.9
85.02943	9.1
87.00863	3.8
88.61272	1.5
89.02433	28.5
95.01384	2.2
97.02969	1.4
99.00820	2.9
101.01796	1.8
101.02432	28.9
106.61411	1.6
108.02140	3.2
111.08147	2.8
113.02449	15.3
119.03519	9.1
119.05006	1.7
123.04484	3.6
131.03485	2.6
143.03465	2.5
151.03925	4.4
161.04475	4.6
165.12825	40.6
179.03406	4.9
179.05470	4.6
183.13881	88.4
184.14174	1.9
191.10669	1.8
197.15440	1.9
207.13739	6.4
209.11707	6.1
227.12866	100.0
228.13118	2.4
235.06068	1.6
242.70914	1.5
251.12842	18.7
269.13770	6.5
299.14941	9.2
303.08701	2.5
329.16068	31.1
333.35074	1.7
341.10834	19.9
353.09964	2.5
389.18143	71.9
390.18204	3.0
401.47025	1.6
431.26691	2.4
449.26999	1.7
465.26794	5.4
491.31882	6.6
507.20944	2.4
507.27908	21.4
550.77032	17.5
551.23114	67.9
551.77252	4.2
552.23486	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	551.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	24.7
58.79916	2.1
59.01373	13.0
61.55503	2.6
67.01856	3.0
71.01383	12.1
71.55032	2.7
72.99307	3.2
75.00854	7.5
78.95902	11.0
83.01394	4.3
85.02937	6.9
87.00874	100.0
88.98828	3.3
89.02428	5.8
91.93284	2.3
99.00859	4.4
101.02461	12.6
111.00886	14.1
119.03472	4.2
120.24744	2.4
121.11976	2.4
129.01941	40.8
134.04655	3.7
147.02986	36.7
153.05573	3.9
158.92514	3.2
191.01970	88.1
209.03067	30.2
209.06563	10.9
210.04150	2.8
229.15349	2.7
295.29486	2.7
435.20474	2.8
551.05176	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	551.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
58.00595	1.1
59.01380	18.4
69.03455	0.8
69.52837	1.4
69.53265	2.2
71.01379	12.3
72.99300	1.1
73.02942	3.7
83.01400	1.8
85.02947	3.8
87.00872	6.0
89.02439	10.2
95.01373	1.3
96.95964	0.7
97.02927	1.0
97.06581	1.0
99.00927	0.6
101.02442	12.4
107.67653	0.5
111.08150	1.4
113.02436	4.8
119.03483	1.6
125.02458	1.0
131.03491	1.2
139.44843	0.6
143.03488	1.1
161.04562	1.6
165.12846	33.6
166.13118	0.6
167.14429	1.7
179.05650	0.9
183.13892	100.0
184.14278	3.0
186.10336	0.5
195.13943	1.7
197.15466	15.3
207.13911	4.8
209.11816	9.6
225.14954	8.7
227.12871	91.2
228.13239	3.4
241.14467	1.2
251.12886	2.1
267.07162	0.7
269.13907	12.5
270.14233	0.7
283.05814	0.6
299.14978	8.3
301.07370	0.5
303.07724	0.5
329.16043	25.7
330.16534	1.2
341.10999	1.2
353.10229	1.8
371.17126	1.2
389.18149	71.8
390.18530	3.6
470.95782	0.5
491.32230	1.0
507.27582	1.4
551.23395	61.8
552.23523	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	551.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04734	1.1
59.01378	17.0
61.98825	10.0
62.26760	1.1
69.37938	5.4
69.38366	4.1
71.01382	4.4
73.02930	7.3
80.02683	1.2
83.01365	2.5
85.02924	2.6
87.00868	1.2
89.02453	2.2
95.01396	1.3
101.02432	8.0
108.02169	24.7
113.02431	2.0
123.04517	30.9
134.06143	1.7
136.01633	4.3
137.02458	1.6
145.94058	1.2
151.03999	65.1
152.04335	1.3
167.03448	1.8
173.24631	1.1
177.66602	1.1
178.05025	1.8
179.03488	49.7
183.13869	1.6
241.16113	1.2
255.02963	100.0
256.03238	3.7
270.05301	37.8
271.05731	2.6
281.54257	1.4
285.07666	40.5
303.08716	62.6
304.09021	1.9
353.23346	2.0
382.11121	1.4
465.26962	2.0
491.31982	3.5
507.15024	13.8
507.27820	7.3
545.37769	1.4
551.24292	2.0
551.34052	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	549.296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36561	0.1
59.01379	0.3
70.88398	0.2
70.88737	0.1
71.01354	0.2
77.18217	0.1
78.95908	0.2
79.95737	2.4
80.20119	0.1
95.97644	0.1
96.96008	100.0
97.95925	0.2
101.45119	0.1
113.02423	0.1
116.92850	1.2
134.99698	0.1
145.74330	0.1
166.52048	0.1
175.32396	0.1
258.36603	0.1
283.06354	0.1
549.14752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31390	0.4
52.94134	0.4
55.01871	0.7
56.02272	0.4
56.10349	0.4
57.03440	0.7
58.46165	0.4
59.01377	100.0
60.01699	0.9
61.98828	1.3
69.03490	0.4
69.35926	2.9
71.01377	8.4
73.02943	2.2
76.05502	0.4
83.01376	2.8
84.65015	0.4
85.02950	5.4
85.03407	0.6
86.00095	0.4
88.78232	0.4
89.02467	0.6
95.01391	1.1
95.26182	0.4
99.00890	1.5
101.02431	5.3
111.00873	0.6
113.02460	3.9
143.03555	0.6
153.82355	0.5
159.03017	0.5
161.04604	1.7
195.90752	0.4
213.18674	0.5
213.78067	0.4
256.93411	0.5
281.31760	0.4
301.27628	1.2
415.31140	0.4
445.31662	23.3
446.32153	1.0
463.32700	16.5
463.39001	0.9
464.33273	0.8
489.34448	1.0
505.34232	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00295	0.5
52.30650	0.5
59.01379	18.2
60.99302	2.1
61.98815	0.7
69.82962	0.8
69.83376	2.0
70.55592	0.5
71.01377	7.2
72.75689	0.5
72.99307	0.6
73.02949	6.5
83.01400	1.8
85.02946	0.6
86.66914	0.6
88.98802	10.3
89.02435	1.3
98.19993	1.1
101.02435	5.6
113.02437	2.8
122.03716	0.9
125.02431	1.6
131.03474	0.6
138.97891	0.5
141.90637	0.5
143.03482	0.6
161.04523	0.9
165.12837	6.4
176.23662	0.6
183.13892	100.0
184.14232	2.0
207.13904	4.0
209.11824	2.6
227.12894	4.6
228.79671	0.6
237.15009	2.1
249.14983	1.7
251.12825	8.5
279.53989	0.5
283.15430	0.9
295.83768	0.6
301.16553	65.6
302.16806	3.2
325.16516	5.2
343.17560	1.1
355.17538	1.1
360.52917	0.7
367.17511	2.1
505.26660	3.1
513.53442	0.7
549.23370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00295	0.5
52.30650	0.5
59.01379	18.2
60.99302	2.1
61.98815	0.7
69.82962	0.8
69.83376	2.0
70.55592	0.5
71.01377	7.2
72.75689	0.5
72.99307	0.6
73.02949	6.5
83.01400	1.8
85.02946	0.6
86.66914	0.6
88.98802	10.3
89.02435	1.3
98.19993	1.1
101.02435	5.6
113.02437	2.8
122.03716	0.9
125.02431	1.6
131.03474	0.6
138.97891	0.5
141.90637	0.5
143.03482	0.6
161.04523	0.9
165.12837	6.4
176.23662	0.6
183.13892	100.0
184.14232	2.0
207.13904	4.0
209.11824	2.6
227.12894	4.6
228.79671	0.6
237.15009	2.1
249.14983	1.7
251.12825	8.5
279.53989	0.5
283.15430	0.9
295.83768	0.6
301.16553	65.6
302.16806	3.2
325.16516	5.2
343.17560	1.1
355.17538	1.1
360.52917	0.7
367.17511	2.1
505.26660	3.1
513.53442	0.7
549.23370	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03442	1.6
59.01378	24.4
60.99314	0.8
61.98830	5.5
63.02403	2.0
64.39197	0.6
65.00326	1.6
69.37221	5.3
71.01381	9.5
72.99306	1.6
73.02939	8.5
75.00848	1.0
80.18829	0.6
83.01382	5.0
83.19070	0.6
85.02948	3.3
87.00839	0.8
88.98820	4.8
89.02444	2.6
90.32259	0.6
93.03465	4.0
95.01382	1.7
96.96001	3.0
98.20607	1.2
99.00916	0.8
99.04511	0.7
101.02435	6.7
107.01387	4.4
108.02167	2.0
109.02968	2.0
111.00874	0.9
113.02480	3.7
117.03472	1.0
119.03498	1.3
119.05048	1.0
121.02957	2.7
123.00936	0.8
124.01650	1.1
125.02457	5.1
126.90392	1.7
133.02966	4.9
134.03746	2.5
135.04510	2.7
136.01689	2.1
137.02441	6.7
143.03523	1.1
146.08150	0.9
149.06073	1.6
151.00369	9.3
161.02441	16.1
161.04514	1.1
164.01144	5.9
165.01923	88.3
166.02267	2.3
167.81421	0.7
169.01402	0.9
174.03249	0.7
177.01929	1.3
189.12762	0.7
196.00203	3.2
196.05347	0.7
199.03976	1.4
200.04669	0.8
201.01993	1.1
207.02866	1.0
227.03477	1.1
240.04265	2.2
241.04939	1.1
242.05853	2.8
253.05025	0.8
255.06584	1.0
257.08206	1.6
258.05298	1.0
268.03809	0.9
269.04233	0.7
269.26282	0.7
285.04196	1.3
285.07703	1.6
286.04758	3.6
300.06311	1.2
301.07156	100.0
302.07446	3.0
307.12054	1.0
343.08237	0.9
463.25681	3.2
489.19501	1.0
505.13553	28.2
505.26331	19.1
506.13712	2.2
549.23315	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	549.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46143	0.8
57.03444	1.4
59.01375	24.4
60.01708	0.9
61.98817	3.3
62.79208	0.8
63.02396	3.1
65.00320	7.1
69.79713	3.6
71.01379	8.6
72.99331	0.9
73.02944	8.2
74.30919	0.9
83.01385	6.9
84.95115	0.9
85.02962	2.2
87.00900	1.0
88.98795	1.8
89.02436	3.0
96.95993	1.6
99.04513	1.5
101.02435	8.1
107.01390	12.4
108.02174	5.5
109.02955	0.9
113.02431	2.8
116.92856	1.5
118.67958	0.8
119.05029	0.8
123.00914	1.2
123.04549	3.7
125.02445	2.1
132.04561	2.0
134.03738	18.9
135.04538	1.7
136.01669	2.6
137.02454	1.3
143.03523	0.9
149.02467	0.8
149.06071	13.0
151.00360	40.4
152.00685	0.9
155.13553	0.8
159.03233	1.3
160.01695	0.9
160.04051	3.3
161.04454	2.7
164.01158	5.2
165.01888	2.0
169.01454	1.7
174.05577	2.0
175.04132	1.0
176.04848	0.8
177.01869	4.5
196.00157	3.7
201.01851	1.1
207.13965	0.9
209.11905	0.9
270.05490	1.0
281.06479	1.2
282.07471	1.2
285.03842	1.3
285.07721	2.6
286.04434	2.7
289.05127	0.8
299.05481	1.0
300.06210	1.4
301.07150	100.0
302.07513	4.6
311.11459	4.1
312.11896	4.4
326.13849	4.2
327.14343	4.4
340.59525	0.8
343.08353	1.4
445.24069	1.0
463.25229	2.3
505.13547	23.5
505.26346	15.3
506.13971	1.9
516.04071	0.8
549.24890	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	549.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	14.7
59.01379	10.6
61.98832	6.1
71.01389	3.7
71.55907	0.8
73.02949	2.3
81.03478	3.0
83.01390	8.0
85.02944	2.1
85.56561	0.7
87.00874	0.6
88.98794	2.2
89.02442	1.7
93.03458	1.0
95.01411	0.7
95.05041	1.7
96.36438	0.6
96.96004	1.0
97.02948	3.6
99.00877	0.6
101.02419	3.7
107.01377	0.8
108.02175	2.0
109.02988	1.1
111.04509	0.6
113.02451	1.8
121.02941	2.1
123.04532	1.4
124.01656	0.8
125.02443	100.0
126.02796	1.4
133.02937	0.7
134.64522	0.6
137.02469	2.6
139.04005	8.5
143.57040	0.6
149.02432	11.3
151.00398	0.8
165.01891	1.0
167.03488	10.4
177.01836	1.4
177.05489	0.7
183.13908	1.6
185.72685	0.6
191.03534	1.7
252.48317	0.6
284.03296	0.8
285.07773	0.7
299.05765	2.8
301.07159	43.1
301.16541	1.4
302.07568	1.6
313.07144	3.2
315.08481	0.6
325.07101	7.0
343.08212	17.8
344.08539	0.8
463.25882	1.2
489.31320	0.6
505.13718	8.5
505.26245	8.0
549.25665	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	547.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03448	1.7
58.00613	0.5
59.01379	100.0
60.01724	0.6
61.98830	9.0
69.03439	0.8
71.01382	15.6
71.58121	0.5
72.99307	0.6
73.02948	5.0
83.01381	3.0
85.02949	7.9
87.00896	1.1
88.98803	2.3
89.02448	3.6
93.03481	0.4
93.07091	1.8
95.01377	1.7
95.97691	0.3
96.96004	1.8
97.02975	0.7
99.00876	2.3
101.02446	10.5
109.29311	0.4
111.00894	1.1
111.08181	0.5
113.02451	9.2
114.98110	0.3
119.03534	0.9
120.37912	0.3
125.02423	1.5
128.03540	0.4
129.01877	0.5
137.02451	0.5
143.03482	2.3
159.03001	1.3
161.04547	7.1
175.02654	0.4
175.04002	0.7
193.53308	0.3
197.15585	0.5
211.16681	0.3
213.18613	1.8
237.64128	0.3
284.07104	0.5
299.09335	1.2
325.27362	0.5
343.28464	1.8
357.22687	2.5
375.23938	4.9
459.19540	0.4
469.31787	2.4
487.32755	47.7
488.32947	3.4
505.33850	21.2
506.34109	1.3
547.24841	0.8
547.34869	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	547.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72565	0.8
57.03443	2.1
57.96967	0.7
59.01376	100.0
61.98835	2.3
69.28812	5.0
69.29222	1.8
71.01376	9.9
73.02953	4.4
76.18701	0.8
80.54034	0.8
83.01399	2.0
85.02933	4.0
89.02453	2.7
95.01398	1.1
99.00881	1.4
101.02429	7.7
111.00876	1.0
113.02439	5.7
123.00852	0.9
143.03514	0.8
153.45151	0.7
161.04567	2.2
213.18596	1.0
270.11850	0.8
299.26031	0.8
311.21771	1.1
343.28314	1.0
420.39743	0.7
443.24530	1.5
443.30106	10.2
461.31119	7.0
487.32843	7.5
488.33212	0.9
503.32663	1.0
505.34171	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	547.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03448	1.7
58.00584	0.5
59.01376	100.0
60.01702	0.4
61.98830	1.3
62.97049	0.1
67.01870	0.1
68.99815	0.2
69.03468	0.5
70.83955	0.1
71.01379	16.3
72.01734	0.1
72.99311	0.7
73.02944	5.2
75.00867	0.2
81.03455	0.3
83.01383	4.8
84.02171	0.1
85.02946	9.6
86.00085	0.6
87.00880	1.1
88.98829	0.1
89.02445	3.1
93.07098	2.8
95.01382	2.0
95.01994	0.1
97.02936	0.9
97.03381	0.1
99.00871	2.4
99.04544	0.1
101.02438	12.0
102.02805	0.1
111.00869	1.0
111.08103	0.5
112.01659	0.4
113.02444	9.8
115.04000	0.3
119.03510	1.1
124.01656	0.3
125.02447	1.2
127.11298	0.4
129.01950	0.4
131.03505	0.3
141.01945	0.2
143.03487	1.7
159.02992	1.3
161.04544	7.0
171.10410	0.1
179.05655	0.4
205.03572	0.2
211.16960	0.4
213.18567	3.5
214.18898	0.1
241.85823	0.1
313.27377	0.2
325.27484	0.2
327.21747	0.1
343.28516	1.6
357.22815	4.4
358.23364	0.1
375.23856	7.3
376.24261	0.3
402.87878	0.1
427.30573	0.4
439.30627	0.4
451.30704	0.4
457.31741	0.4
469.31546	1.5
485.30954	0.1
487.32730	40.0
488.33075	2.3
505.33783	20.3
506.34204	1.3
547.35083	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	547.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.5
59.01377	87.3
60.01711	1.4
61.98833	10.0
62.49101	1.0
67.01879	1.2
68.99802	1.3
69.03443	1.5
69.85023	3.4
71.01380	12.2
71.05006	1.5
73.02940	4.7
75.00864	2.0
77.04025	1.2
81.03454	17.0
83.01375	7.3
85.02949	6.4
88.98803	5.5
89.02432	3.7
93.03458	3.3
93.05136	1.1
95.01383	2.5
95.05028	9.2
96.96004	4.6
97.02965	6.3
98.95580	2.7
99.00862	2.0
99.04518	12.3
101.02441	8.7
107.04984	1.4
108.02157	2.1
109.02979	1.7
111.04515	3.1
113.02460	7.1
115.04005	1.1
117.03454	6.1
121.02960	2.3
123.04523	9.2
124.01609	1.2
125.02445	59.3
134.03737	1.7
135.08179	4.8
136.01640	4.4
137.02437	13.4
137.06107	2.4
139.03992	4.3
149.02475	1.2
149.04550	2.0
149.06096	1.4
150.03244	1.3
151.03964	2.5
153.09189	1.7
160.01720	5.6
161.02428	2.9
161.04492	2.1
163.00352	1.3
164.01178	2.0
165.01979	1.5
167.03493	100.0
167.10815	1.8
168.03809	1.6
175.04027	7.8
177.01926	2.4
177.09125	1.2
179.03511	14.1
179.05727	1.4
179.07132	10.7
191.07100	3.8
193.05002	1.9
193.08694	2.1
197.02879	2.0
197.04562	26.1
209.04518	2.1
221.08180	21.4
223.09750	3.2
233.08151	2.4
234.58031	1.3
235.02368	1.2
235.06081	1.2
235.09639	1.2
249.07643	6.7
251.09288	6.9
265.10794	62.7
266.11136	2.3
271.72018	1.0
289.07056	1.3
295.11823	39.0
301.11380	1.1
307.11856	3.0
315.08652	1.8
322.94434	1.2
329.06836	1.9
331.15198	1.0
333.09741	2.7
343.28555	2.3
350.95245	1.0
367.13727	4.5
385.12363	10.1
391.23322	2.1
404.21707	1.1
406.39523	1.1
406.45996	1.0
415.23074	1.4
427.13922	43.1
428.14386	2.0
457.15024	16.6
458.15527	1.4
487.32690	18.0
505.33447	5.7
529.16870	2.4
547.18256	26.7
547.25677	5.3
548.18158	1.9
548.25360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71797	0.6
57.03436	1.1
59.01372	13.6
69.75779	3.7
71.01003	1.2
71.01377	17.3
72.99303	1.4
73.02936	1.6
75.00879	0.6
79.62362	0.6
83.01381	4.7
85.02945	2.6
87.00874	31.9
96.95572	0.6
96.96012	6.8
97.95892	0.6
98.20570	1.4
98.95585	5.5
98.96394	1.0
101.02443	1.3
107.45256	0.7
111.00877	9.0
113.02431	2.1
115.00368	60.5
127.00343	1.9
139.00374	15.9
150.81407	0.6
157.01414	28.1
175.02463	100.0
176.02788	1.1
243.55832	0.7
252.10074	0.8
255.68494	0.7
280.08533	1.7
285.06216	0.8
295.10904	6.0
297.12357	1.0
309.12512	1.0
310.05057	0.7
317.73654	0.6
325.11880	1.5
327.13516	5.3
339.09882	1.4
353.06668	0.9
353.11447	1.0
355.12851	0.8
360.49380	0.7
371.12430	10.6
391.13037	1.9
397.10568	1.8
399.12045	1.1
401.13516	1.4
429.12949	6.2
431.14575	2.1
435.11847	1.2
443.14761	1.5
453.12573	0.7
467.14520	6.9
473.10904	1.0
485.15570	13.2
487.13211	3.7
499.13626	0.8
511.13638	1.5
547.15588	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
59.01379	100.0
61.98832	22.1
61.99153	1.2
71.01377	13.3
73.02945	3.8
80.22256	1.1
83.01378	2.4
85.02934	6.7
87.00888	1.7
88.98792	1.9
89.02440	3.3
95.01410	1.8
96.96008	2.1
97.03022	1.0
98.95551	1.1
101.02467	8.5
101.78484	1.0
107.01429	1.1
113.02431	11.2
118.60965	1.1
119.03479	1.1
121.02938	3.0
123.04540	2.3
125.02465	1.8
143.03447	1.4
151.71907	1.1
153.05525	3.2
161.04517	5.1
165.01915	3.0
195.04462	1.1
201.05559	4.4
212.47394	1.1
225.05554	3.3
227.03409	1.5
229.37535	1.2
239.03401	4.2
241.05006	7.7
267.03094	1.5
267.06598	4.2
268.03766	16.8
269.04520	19.0
282.05267	4.4
283.06085	54.1
284.06854	36.5
284.10052	1.3
299.09219	90.6
300.09537	4.9
341.10355	1.3
343.28574	2.7
487.12485	14.0
487.32828	19.2
504.32031	1.6
505.33847	6.4
547.31293	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	547.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54958	0.6
55.01853	0.6
57.03437	0.7
59.01376	13.1
71.01373	4.1
73.02937	1.3
75.00854	1.3
76.17266	0.5
77.12358	0.5
79.01872	0.6
80.89522	0.6
85.02940	0.7
89.02428	2.1
96.96001	3.4
98.19897	1.0
101.02425	1.5
107.01360	0.6
107.05012	0.6
113.02448	1.3
113.64636	0.6
117.03423	0.7
119.03537	0.8
119.05008	2.2
121.02924	0.7
135.02960	1.2
135.04494	1.3
145.02966	1.7
149.02467	0.9
149.04414	0.9
149.06076	0.8
159.04471	0.6
161.02376	1.1
163.03975	1.6
165.04056	1.1
173.02408	0.6
175.03951	1.1
179.03450	1.1
189.01833	0.7
191.03416	1.6
203.03519	1.2
207.06596	5.7
211.03973	1.1
221.04391	1.0
223.13347	0.7
233.04425	0.7
237.09259	1.1
239.03439	5.4
240.03998	0.7
249.07726	1.5
250.06476	0.6
252.07889	1.1
253.04982	1.0
266.05811	0.7
267.02924	8.0
267.06509	2.6
268.03714	11.5
269.04385	3.2
270.04599	2.4
271.05228	1.7
279.06631	2.3
280.07230	1.7
281.04605	2.9
281.08136	16.2
282.05225	2.4
283.06064	18.9
284.06528	0.9
291.06567	1.8
293.08115	1.5
295.06021	2.8
297.07639	2.3
301.17776	0.6
307.06030	1.8
309.07700	6.1
312.06375	2.6
319.06052	1.5
321.07562	2.3
325.07114	2.0
337.07144	23.8
338.07443	1.2
339.08658	1.3
340.05627	1.1
349.07117	3.5
353.06665	4.5
365.06345	1.6
367.08170	14.4
368.08597	0.9
379.08234	2.4
383.07724	3.2
385.12701	1.0
391.08212	0.7
397.09076	2.1
409.08905	1.1
427.10214	10.7
443.10043	0.7
457.11420	5.4
472.09924	1.3
473.10562	1.3
487.12393	12.5
488.12662	1.0
529.13318	0.6
537.08240	0.6
547.14417	100.0
548.14813	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	547.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36639	0.8
50.64115	0.8
53.99087	0.9
59.01379	19.6
69.71227	3.4
71.00253	1.0
71.01375	6.6
72.99296	0.8
73.02942	1.9
75.00876	4.2
79.01865	0.9
83.01366	1.1
85.02935	2.4
87.00867	1.2
88.98805	1.2
89.02418	6.1
93.03458	1.5
93.49304	0.7
95.01398	1.0
96.95384	1.2
96.96001	21.3
98.95567	1.9
101.02430	4.5
104.72726	0.8
113.02426	2.9
113.50397	0.8
117.03426	4.3
118.56685	0.9
119.03523	2.1
125.02438	1.0
134.03772	0.9
135.02988	8.3
135.04485	1.9
136.01639	1.1
142.69316	0.9
147.04451	1.0
149.02386	1.2
149.06050	0.9
151.03938	1.5
159.04501	0.9
161.02403	1.5
161.13271	1.6
162.03148	1.1
163.03903	1.8
175.03906	2.0
177.01884	1.0
177.05562	1.1
179.03447	1.1
179.05569	1.1
191.03419	1.4
203.03519	1.5
205.12265	3.6
207.06583	2.4
207.28336	0.9
210.84163	0.8
249.11243	5.7
251.16005	1.0
267.06427	1.1
267.12228	1.2
268.07086	1.0
269.04468	1.8
270.05380	1.1
281.04642	1.0
282.05313	1.4
283.05994	3.6
284.03308	1.6
295.06116	4.6
296.06693	2.5
297.04013	3.1
297.07581	14.8
298.04791	19.2
299.05280	1.2
299.33951	0.9
307.05914	1.3
308.03116	1.0
309.03876	2.7
309.07584	2.3
310.04968	0.9
311.05557	5.6
323.05606	4.1
325.07162	7.7
328.05695	1.9
335.05383	1.5
337.07050	3.7
341.06598	19.6
342.06674	1.2
353.06589	32.1
354.07025	1.3
356.05069	2.0
365.06537	3.8
367.08148	1.0
367.13492	0.9
371.07193	1.3
383.07697	22.5
395.07742	2.1
413.08435	3.5
429.17654	4.8
439.10352	1.1
443.09750	8.9
457.11453	6.2
473.10559	3.5
487.12308	2.4
503.11880	10.6
529.13312	1.1
533.60840	0.9
547.14307	100.0
547.20544	5.9
548.14612	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	547.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.6
60.99300	4.4
70.21616	2.7
71.01379	10.5
73.02953	4.0
75.00883	3.7
76.51254	1.2
83.01396	1.9
83.05006	1.3
85.02946	3.9
87.00898	4.0
88.98799	31.6
89.02441	5.3
95.01367	1.8
96.95972	2.7
98.20661	1.4
99.00837	2.0
101.02432	5.7
108.24905	1.2
113.02437	3.3
117.03442	3.4
119.03452	3.1
121.02913	1.8
121.72752	1.3
124.99507	1.2
132.02182	1.7
133.02992	3.8
134.03749	3.1
135.00833	1.4
135.03001	3.2
135.04497	3.2
139.55725	1.3
145.02919	1.6
161.02412	1.7
161.09790	2.3
161.13318	1.5
163.00401	3.2
163.04068	2.6
165.01863	1.9
175.02444	1.8
179.05623	1.6
187.11270	3.9
189.09137	2.5
201.01932	1.7
207.10255	1.7
231.26602	1.5
241.04926	2.4
249.11327	2.6
253.04985	1.8
260.70694	1.6
269.04443	3.4
270.05276	2.7
283.05954	2.6
284.03201	4.9
295.06042	3.3
296.06863	1.8
297.03998	20.3
297.07654	10.3
298.04797	96.4
299.05417	7.3
307.06210	2.6
309.04126	11.5
309.07495	2.0
310.04825	1.8
311.05557	8.4
313.07126	8.1
323.05597	3.1
325.03781	2.0
325.07056	6.9
326.04071	2.0
328.05957	2.7
330.03723	1.9
337.07309	2.6
341.06619	100.0
342.06891	3.7
344.05225	1.6
353.06674	31.6
365.06506	4.4
371.07657	22.7
372.07904	1.7
383.07657	15.3
395.07550	3.2
407.07657	2.2
413.08826	3.2
425.08951	3.0
427.06287	1.7
429.17462	2.0
443.09854	11.6
457.11227	6.3
461.10913	7.0
487.12338	5.7
503.11905	47.4
504.12415	3.7
547.14453	62.3
547.23956	24.2
548.14648	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	546.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03442	0.7
59.01378	71.1
60.01718	0.7
61.98828	100.0
65.46568	0.3
69.39660	0.8
69.40074	1.6
70.02747	0.3
71.01003	0.5
71.01383	7.9
72.01731	0.3
72.99291	0.4
73.02946	2.4
75.00879	0.5
78.53990	0.3
83.01365	1.0
84.45325	0.3
84.95103	0.5
85.02961	3.0
87.00857	0.4
88.98777	1.2
89.02438	1.7
95.01385	0.6
96.95983	1.1
97.02913	0.4
99.00859	1.0
101.01879	0.4
101.02438	4.4
108.04543	1.0
110.93607	0.3
113.01698	0.4
113.02435	3.7
119.03444	0.5
125.02449	0.7
141.03708	0.3
143.03458	0.4
150.05537	0.6
151.65190	0.3
159.02901	0.5
161.04524	3.9
167.03389	0.3
187.72112	0.3
203.05461	0.7
213.39571	0.3
285.03687	0.9
286.04025	1.3
397.22284	4.4
439.23334	12.1
439.28818	0.6
440.23166	0.7
483.21298	0.4
486.30359	0.5
487.31754	0.9
505.32822	0.4
546.08911	0.5
546.28870	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13078	0.4
57.03441	1.4
57.33537	0.4
58.00596	0.8
59.01376	16.9
59.69664	0.4
61.98827	12.8
67.01862	0.6
69.03462	2.2
71.01380	7.7
71.04991	0.5
71.57096	0.4
72.99289	0.8
73.02943	1.8
80.02650	0.4
81.03458	1.0
81.83687	0.4
83.01380	1.5
83.05051	0.9
85.02945	2.9
87.00883	1.0
87.04478	0.9
89.02440	7.9
95.01379	0.8
96.96017	5.0
97.02946	8.9
97.06602	1.5
99.00891	0.4
101.02444	8.0
105.01051	0.4
107.05061	0.5
109.06547	0.4
109.88876	0.4
111.08169	2.4
113.02425	3.7
113.09710	0.5
119.03458	2.0
119.08665	0.9
125.02474	0.6
125.06120	0.4
125.09726	1.4
127.11290	0.5
137.09724	2.4
141.01674	1.3
143.03450	0.8
153.12827	0.6
161.04564	4.8
163.11272	2.4
165.12860	5.4
166.10008	0.6
169.12349	0.8
171.10262	6.3
179.05597	1.2
179.14354	0.7
181.12337	1.7
183.13879	1.5
185.11803	0.6
191.14420	0.5
193.12292	1.0
193.16074	0.5
197.11819	8.1
199.13371	0.7
207.10245	0.5
209.11806	3.0
211.13380	3.8
223.13412	1.2
225.11360	0.5
227.12901	5.0
244.96643	0.4
245.19130	0.4
247.20627	4.5
253.09276	34.6
254.09656	0.6
263.20181	0.6
273.18539	2.0
286.09705	0.4
291.19641	44.4
292.19879	1.9
309.20688	100.0
310.21005	4.6
371.14740	0.4
485.31320	0.8
503.31970	0.5
545.11896	0.5
545.29535	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	544.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
60.17383	0.4
61.98826	100.0
63.63675	0.3
69.68024	0.3
71.01380	0.6
71.26247	0.7
77.28915	0.3
79.91863	0.3
84.98882	0.3
96.96008	1.8
104.75699	0.4
117.61156	0.3
141.79938	0.3
228.57166	0.3
323.77234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36468	0.1
59.01374	0.3
61.98798	0.1
65.85574	0.1
71.01377	0.2
73.02951	0.1
79.95734	2.4
96.96005	100.0
97.95936	0.2
98.19852	0.3
101.02425	0.2
104.34336	0.1
109.02957	0.1
134.03761	0.1
157.08627	0.2
175.03976	0.2
230.14423	0.1
260.37119	0.1
262.00650	0.1
298.04709	0.1
327.05185	0.7
357.06119	0.1
427.10782	0.1
447.09048	0.5
458.44876	0.1
516.97083	0.1
545.05853	0.3
545.13391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55522	0.3
54.02898	0.3
57.03411	0.5
59.01105	0.5
59.01376	6.8
61.98821	0.7
71.01385	3.0
71.58765	0.6
73.02955	2.2
79.01872	0.4
79.95693	0.4
83.01381	1.0
84.95112	0.9
85.02931	0.9
87.00856	0.5
88.98804	1.9
89.02425	1.4
93.03463	1.8
96.96008	17.5
99.00898	0.6
101.02430	2.0
107.01395	0.4
111.00867	0.5
113.02438	1.3
117.03446	5.5
119.05013	1.3
120.41016	0.3
121.02940	0.7
123.04485	0.5
131.05026	0.4
133.02905	0.5
133.06549	0.5
135.04488	2.9
137.02423	0.7
143.35527	0.3
145.02991	0.7
147.04480	0.8
149.02420	1.3
150.03206	0.4
151.03961	0.7
151.07643	0.7
159.04460	1.1
161.02425	2.9
161.04468	0.5
162.03241	0.4
163.00296	0.6
163.03987	1.6
165.01874	1.2
167.03468	0.4
173.02428	0.4
173.06079	0.6
175.03966	2.3
177.01930	4.0
177.05544	1.3
178.78590	0.4
179.03488	1.4
185.02467	0.6
189.01904	1.6
191.03448	1.7
197.06047	0.8
203.03577	1.8
205.01410	0.8
205.04974	0.9
207.02905	3.1
209.05994	0.6
215.03427	0.6
219.02859	0.9
223.07613	0.5
231.02840	0.6
233.04535	1.0
237.03764	1.0
237.05811	0.5
238.06415	0.6
239.07054	1.5
241.04988	0.4
249.03984	1.4
251.07141	1.7
253.05080	1.0
253.08595	0.8
254.05809	0.7
261.03986	0.5
265.05017	0.9
267.06625	2.7
268.03720	0.7
268.07260	0.9
269.04520	2.6
277.04825	0.9
279.04974	0.7
281.04593	2.3
282.05252	2.5
282.08594	0.7
283.06082	13.0
284.06378	0.8
291.06723	0.4
293.04449	1.6
293.07898	0.4
294.05151	1.0
295.06082	8.8
295.09442	0.5
296.06833	2.4
297.04495	0.7
297.07639	18.1
298.07922	0.8
306.05338	0.5
307.06100	2.6
308.03244	0.9
308.06744	1.1
309.04211	0.7
309.07651	2.4
311.05612	12.0
312.05823	0.6
314.04175	0.9
321.04016	0.8
321.07544	0.6
322.04645	1.8
323.05515	10.0
323.09222	3.6
324.05966	1.0
325.07126	7.8
326.07886	0.8
328.05856	3.6
335.05661	1.9
337.07025	3.0
339.05017	2.9
341.06509	4.2
341.10287	3.9
349.03372	0.4
349.07166	0.5
350.04437	0.4
351.05038	6.9
351.08679	0.3
353.06619	28.8
354.06812	1.7
355.08066	1.0
356.05249	1.6
363.04913	1.2
365.06537	3.9
367.04382	1.4
369.06104	18.8
370.06418	1.4
372.04651	0.6
379.08243	0.5
381.06055	4.5
383.07657	15.9
384.08057	0.7
395.07608	1.3
397.05368	1.2
399.07175	12.4
401.08658	1.5
407.07486	0.5
411.06949	1.1
413.08649	0.8
423.07071	0.4
425.08710	1.5
429.08160	0.8
437.08817	0.5
441.08261	3.6
442.08789	1.3
443.09799	16.8
444.10089	1.3
455.09637	4.1
457.07687	3.3
458.08459	0.7
459.09283	25.2
460.09662	1.4
485.11102	1.3
501.23541	0.4
527.11975	1.9
545.12915	100.0
546.13269	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	544.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56895	0.3
59.01377	4.3
61.98827	100.0
68.99598	0.3
71.01388	1.2
71.11198	0.6
75.46702	0.3
76.68250	0.3
80.94643	0.3
85.02971	0.3
89.02451	0.5
96.96008	2.3
101.02448	1.0
111.08166	1.0
113.02494	0.4
119.03460	0.4
129.06322	0.3
131.58875	0.3
161.04633	0.6
178.01111	0.3
179.05695	0.4
183.35727	0.3
197.11823	4.0
211.13461	0.5
241.75095	0.3
253.09259	2.6
263.20273	0.4
291.19836	1.4
309.20694	5.2
461.82504	0.3
484.27774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16473	1.4
55.85778	1.3
57.03440	3.2
59.01378	100.0
61.98837	6.2
69.25682	10.9
71.01383	19.6
73.02952	13.6
79.00579	1.3
83.01382	3.3
84.08637	1.2
85.02948	7.0
87.00881	6.8
87.04499	3.1
89.02419	4.7
95.01379	2.9
96.96007	9.1
97.02931	1.8
99.00876	2.8
99.04526	2.6
101.02441	10.6
103.04003	2.2
111.04504	1.8
113.02465	11.5
113.06041	1.6
119.03510	1.8
125.02430	2.3
135.04512	1.2
144.40080	1.3
161.04555	3.0
219.07727	1.8
247.08089	1.4
281.69131	1.6
329.23312	4.2
339.25165	2.2
341.26868	1.4
483.29468	15.9
501.30713	18.6
502.30750	2.4
525.34351	3.1
543.34644	28.9
544.34283	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	543.317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30550	0.2
55.01883	0.4
57.03440	1.1
58.00597	0.9
58.73512	0.2
59.01378	100.0
60.01714	0.7
61.98830	0.8
69.03461	0.5
69.36871	0.6
69.37290	1.1
70.77635	0.2
71.01379	29.1
71.04997	0.2
72.99307	1.5
73.02946	10.9
75.00861	0.4
75.35834	0.2
82.95413	4.1
83.01385	3.4
83.05007	0.2
84.95117	0.3
85.02950	7.6
87.00873	1.7
87.04507	0.6
88.98810	0.3
89.02442	17.6
95.01383	2.7
96.96004	0.4
97.02919	0.6
97.06577	0.3
99.00865	1.1
99.04519	0.3
101.02441	17.4
111.00814	0.3
113.02448	22.8
114.02787	0.4
118.96983	0.3
119.03503	8.5
119.14344	0.2
121.02898	0.2
125.02464	0.9
131.03499	1.9
137.02434	0.2
137.09709	0.2
141.01761	0.2
142.76930	0.2
143.03494	3.0
149.04559	1.9
149.05788	0.3
155.03441	0.3
159.02954	0.2
161.04549	7.7
167.07048	0.2
179.05603	6.1
179.07077	0.3
236.06897	0.2
237.07515	0.6
251.09071	0.4
269.04337	1.0
269.07660	0.3
279.08459	0.8
297.03745	0.5
298.04822	0.3
321.11322	1.4
321.23865	0.3
339.11987	0.8
339.24927	0.5
401.21042	0.4
423.10654	1.0
446.07889	0.5
462.23172	0.4
483.29486	16.1
484.29480	0.9
501.16953	0.7
501.30673	9.4
502.30267	0.6
543.17603	2.3
543.31702	0.8
544.18805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77570	0.3
55.01888	0.3
57.03449	0.9
58.00597	0.7
59.01376	100.0
60.01717	0.8
61.98826	0.5
64.13452	0.3
68.14328	0.3
69.75012	0.3
71.01376	18.8
71.05025	0.3
71.59087	0.4
72.99307	1.1
73.02939	8.7
75.00863	0.3
83.01369	2.4
85.02947	5.6
87.00873	1.9
87.04523	0.8
89.02441	12.7
93.09010	0.3
95.01378	1.6
96.96021	0.6
97.02971	0.5
99.00893	0.9
99.04466	0.3
99.86369	0.2
101.02436	11.4
110.08265	0.3
111.00896	0.3
112.01774	0.3
113.02442	16.5
119.03490	3.9
125.02454	0.9
131.03531	1.2
139.50072	0.3
143.03506	1.5
149.04576	1.1
161.04543	5.8
167.01149	0.3
179.05585	2.5
207.10298	0.7
225.11447	1.1
243.12430	0.7
289.18329	0.7
317.16095	0.4
339.25659	0.8
348.86465	0.3
395.24634	0.4
440.58459	0.3
465.28946	0.3
472.69614	0.4
483.29550	12.3
484.30234	0.5
501.30624	10.0
502.31229	0.4
543.28778	1.1
543.35565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03432	3.1
59.01378	69.8
61.98814	2.8
67.21475	0.8
69.03429	1.1
71.01383	19.6
71.05001	3.8
71.58182	1.6
72.99277	0.9
73.02943	6.1
75.00887	0.8
82.67733	0.8
83.01354	2.6
83.05023	1.1
85.02965	4.6
87.00881	7.3
87.04457	1.4
89.02440	9.5
91.79699	0.9
95.01396	1.3
95.05022	1.2
96.95985	3.3
97.02982	4.9
97.06575	2.9
99.00875	27.1
101.02436	11.7
109.06566	2.1
110.03735	1.2
113.02457	10.5
116.97208	3.5
118.08883	0.9
119.03509	4.1
123.03256	1.3
123.08154	1.9
125.02375	1.5
125.09705	12.6
132.87161	1.0
135.06902	0.8
135.08138	1.2
138.01926	0.9
142.02690	2.1
143.03426	2.6
149.04536	0.8
161.04518	4.1
161.09666	1.0
163.11253	10.7
165.04254	1.6
179.05658	3.9
179.10791	1.0
181.10838	1.5
181.12343	21.8
197.11719	1.5
199.13383	13.1
207.10254	44.5
208.10547	1.0
225.11311	63.5
226.11636	2.1
243.12363	55.8
244.12662	1.6
266.91193	1.0
299.14844	1.7
317.16028	26.6
318.16138	1.3
329.23477	1.1
452.45578	1.0
455.33786	1.1
483.29346	7.7
501.30673	4.0
521.77374	2.3
525.27118	3.0
525.34448	1.0
543.27966	100.0
543.34174	4.6
544.28308	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	543.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03436	0.8
58.00591	0.6
59.01377	68.2
60.01717	0.4
61.98829	4.9
65.03959	0.7
69.03455	0.6
70.31011	0.7
70.31361	0.9
71.01379	16.1
72.99313	0.7
73.02946	7.3
75.00876	0.4
79.05530	0.9
80.02637	0.4
82.17562	0.3
83.01382	3.2
85.02942	6.7
87.00883	1.4
88.98814	1.8
89.02438	8.1
91.05518	0.4
93.03481	0.5
95.01399	1.5
96.96021	1.0
97.02959	0.8
99.00890	1.6
99.04562	0.4
101.02431	11.4
103.05561	1.1
107.05031	1.7
108.02168	3.1
109.02950	4.2
109.06593	0.4
111.00875	0.5
113.02445	12.8
114.01992	0.3
114.02896	0.4
117.03455	1.3
119.03500	2.9
121.02942	6.0
122.03749	1.1
123.04523	6.8
125.02454	1.3
131.03517	0.8
133.02962	7.5
135.04514	2.9
137.06084	0.6
143.03482	2.0
145.02942	5.4
145.03995	0.6
146.03703	1.0
147.04515	5.3
149.04489	0.4
155.08696	0.7
157.06613	0.6
157.10196	0.4
159.03119	0.6
159.04539	1.4
159.10258	0.7
161.04532	5.4
171.10306	0.6
173.06140	0.6
173.61317	0.3
175.07648	1.3
179.05626	1.5
179.08751	0.7
181.06587	0.6
181.10255	0.6
183.08171	0.5
185.06137	1.5
187.07535	0.5
195.04521	0.4
195.08148	0.6
196.05318	0.5
197.06107	0.8
197.09763	0.7
199.07622	3.0
201.05658	0.4
201.09203	0.8
207.08205	0.4
209.06102	1.8
210.06889	2.4
211.07585	0.4
212.04767	1.1
212.64748	0.3
213.05600	0.6
223.07613	3.0
224.08429	1.3
225.05666	2.1
225.09148	4.5
226.06381	0.6
227.03593	0.4
227.07057	2.1
239.07152	2.1
239.16469	0.5
240.07854	0.7
241.08722	1.5
251.07036	2.4
252.04265	1.5
253.05081	2.6
254.05815	17.7
255.06224	1.1
261.09183	0.7
265.05099	0.8
267.06601	7.4
268.07361	9.4
269.08163	100.0
270.08514	3.8
277.12268	0.7
281.07959	0.4
291.06818	0.6
297.04102	0.6
305.08243	1.0
306.08926	2.1
308.10275	0.4
320.10437	0.6
321.11295	34.0
322.11670	1.6
324.10019	0.5
338.11649	2.7
339.12332	97.9
340.12643	5.4
383.20560	1.7
401.21613	2.2
423.11008	1.3
446.08502	0.6
465.28195	0.4
483.17758	0.6
483.29602	13.7
484.30267	0.8
501.17990	1.8
501.30615	5.5
513.17303	0.3
543.19043	14.7
543.27753	1.9
543.35724	1.0
544.19208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
55.62679	0.2
59.01373	14.0
61.98829	1.4
65.03963	1.0
66.39307	0.3
68.99844	0.3
71.01385	3.9
73.02932	0.8
75.00849	0.4
79.05549	0.7
80.02666	0.5
83.01380	0.7
85.02932	1.4
87.04544	0.4
89.02431	1.5
95.01412	0.5
96.95984	0.4
98.20687	0.5
99.00867	0.5
101.02448	1.9
103.05527	1.0
107.05029	1.1
108.02173	4.1
109.02946	3.3
113.02447	2.5
117.03465	1.0
119.03477	0.5
121.02945	6.5
122.03736	1.2
123.04527	7.1
123.05381	0.2
125.02397	0.4
133.02954	5.5
135.04503	3.2
137.06055	0.6
143.03534	0.3
145.02934	5.5
146.03694	0.7
147.04517	5.9
149.04512	0.6
155.08644	0.4
157.10229	0.3
159.03101	0.4
159.04501	1.4
161.04544	1.1
165.41496	0.4
175.07629	0.7
178.30780	0.4
179.08754	0.9
181.06590	0.4
181.10197	1.3
183.08070	0.6
185.06052	0.7
195.04710	0.4
197.06082	0.5
197.09583	0.7
199.07660	2.3
201.09204	0.8
207.08168	0.7
209.06065	1.5
210.06868	2.3
211.03986	0.4
212.04764	1.0
213.05559	0.4
223.07678	2.8
224.08380	1.2
225.05685	2.0
225.09164	5.1
226.06342	0.7
227.07115	1.7
239.07233	1.8
241.08638	1.4
249.05455	0.3
250.06161	0.3
251.07027	2.0
252.04298	1.6
253.04990	2.3
254.05815	18.3
255.06100	1.0
265.04916	0.4
267.06589	7.2
268.07358	9.0
269.08173	100.0
270.08505	3.8
279.06528	0.3
293.11658	0.3
303.10046	0.4
305.08093	0.4
306.09033	1.0
320.10690	0.6
321.11301	15.7
322.11682	0.8
338.11557	2.9
339.12332	95.3
340.12585	4.3
394.79523	0.3
483.29477	2.8
501.30707	1.3
543.18689	7.6
543.27948	2.6
543.77881	0.7
544.18622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60742	0.5
55.01862	2.0
57.03430	1.8
58.00576	1.5
59.01377	52.6
61.98816	0.9
62.60353	0.5
64.42969	0.5
67.53944	0.5
68.99787	0.9
69.03458	0.6
69.97459	0.9
69.97868	1.9
71.01376	26.3
72.99302	2.1
73.02941	6.0
83.01376	5.2
85.02949	10.6
87.00897	2.5
88.99699	0.5
89.02437	21.4
95.01388	1.4
97.02937	2.1
99.00889	4.7
101.02437	29.3
103.19561	0.5
109.02919	0.6
111.00908	0.8
113.02438	10.8
113.03155	0.9
119.03488	8.4
125.02477	2.5
131.03453	0.9
143.03456	3.5
161.04564	2.6
179.05560	5.0
185.04515	2.5
197.11739	0.5
221.06830	1.0
233.41765	0.6
245.06348	0.7
263.07605	0.9
267.85382	0.5
305.17297	0.7
319.21158	8.0
481.26505	100.0
482.26755	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	541.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35154	0.2
59.01376	1.8
60.99305	13.6
61.98824	1.7
63.99242	0.3
71.01385	1.0
71.56409	0.4
78.95900	0.6
80.66372	0.3
85.02950	0.3
87.00877	0.4
88.00410	0.5
88.98803	100.0
89.02438	1.6
89.99120	0.4
96.96008	22.9
101.02417	0.4
246.42029	0.3
265.22256	0.3
278.80624	0.3
299.10181	0.3
541.25543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98819	9.5
69.54989	5.9
69.55391	15.3
71.01386	35.8
72.99306	5.7
73.02945	7.9
83.01395	4.8
85.02963	12.7
87.00848	4.2
89.02441	31.0
98.20572	6.8
99.00888	6.2
101.02441	37.1
109.02982	3.9
113.02456	14.0
119.03503	14.3
159.21065	3.3
161.04547	6.4
179.05573	10.3
220.44936	3.3
319.21155	20.2
375.39658	3.3
467.85587	3.6
481.26477	77.3
482.26837	4.5
523.47540	3.7
541.10925	3.4
541.30383	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	541.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62713	2.7
59.01377	89.3
61.98824	6.2
68.22072	3.2
69.91143	16.0
71.01378	48.3
71.01732	5.0
73.02946	53.5
78.00667	3.5
83.01382	20.1
85.02953	9.2
87.00834	4.0
89.02453	12.5
95.01427	4.5
99.00944	4.2
101.02441	56.5
101.74757	3.1
107.91663	3.2
109.02937	11.9
113.02431	11.7
125.02415	4.1
131.03516	5.4
161.04552	7.2
250.69923	3.5
275.20181	27.0
293.21060	16.1
405.10107	3.6
437.25229	4.2
455.26376	13.1
481.26276	6.3
497.27579	100.0
498.28116	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	539.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21535	0.8
57.03415	1.2
58.00600	2.0
59.01376	25.6
60.23408	0.8
70.83759	2.2
70.84097	1.3
71.01380	28.7
72.99308	1.1
73.02945	6.6
75.00861	1.7
76.86446	1.1
78.95890	3.1
81.17933	0.9
83.01376	3.4
85.02946	4.9
87.00864	6.9
89.02439	38.0
92.92798	1.8
95.01368	1.9
96.96951	1.2
97.02936	3.1
99.00906	0.9
101.02435	27.2
105.01909	1.1
108.90181	4.0
110.89889	2.3
113.02439	15.1
116.72078	0.9
119.03486	9.5
125.02419	2.3
129.01941	2.5
131.03511	2.9
138.92155	0.8
143.03505	5.9
149.04559	7.5
161.04541	19.6
164.51213	0.9
165.03990	3.0
179.05608	31.9
180.05960	1.1
195.05070	3.7
196.05470	1.4
197.05554	1.8
202.46211	1.0
221.06622	19.6
224.13499	1.0
234.92850	1.0
245.49719	1.0
252.17247	0.9
263.07526	1.7
281.08640	2.5
323.09772	3.6
341.10873	8.8
371.66452	1.0
373.67130	0.9
377.08469	11.4
383.11966	10.5
425.12744	2.5
429.94724	1.1
443.13708	1.6
469.39127	0.9
484.14041	1.0
503.16162	100.0
504.16599	5.3
539.13818	65.9
540.14111	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	540.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
61.98828	100.0
68.86235	0.9
69.26046	8.2
76.02143	1.0
78.95892	1.7
80.60064	0.9
91.93525	0.9
96.95940	1.0
100.82955	0.9
109.02948	1.7
113.18886	1.1
120.70905	0.9
149.32526	0.9
178.96153	1.0
185.24443	0.9
211.45476	0.9
248.88602	1.0
257.04446	1.1
483.31970	1.1
512.62860	1.2
540.12915	1.1
545.74762	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	541.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43653	0.4
58.02942	0.5
59.01372	1.1
60.15268	0.4
61.98815	1.4
69.53407	1.9
69.53842	1.1
71.01385	0.7
71.43018	0.5
72.00900	0.7
72.04521	0.5
74.02470	2.0
78.95917	0.6
82.02975	2.8
84.04539	6.2
86.02486	1.0
88.98784	2.2
89.02477	0.5
95.51428	0.4
96.95450	0.4
96.95958	2.1
98.02505	0.4
102.03332	0.4
103.21078	0.4
110.02499	0.4
119.05022	13.8
122.37246	0.4
127.05250	0.4
128.03545	4.9
128.10832	0.9
129.03973	0.4
140.10818	0.5
141.10298	2.0
142.12369	3.0
143.12679	0.8
154.12396	0.7
161.52406	0.4
163.03996	15.8
164.04318	0.6
165.05519	0.6
167.11891	1.4
168.10297	1.6
169.10683	0.6
169.13458	2.7
170.11856	1.0
171.12204	0.5
171.15015	4.0
195.11363	0.7
197.12938	24.5
198.13405	0.5
214.10828	5.2
215.13980	100.0
216.14279	2.7
238.82590	0.4
325.09323	2.5
355.60843	0.5
497.23886	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3278
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01858	0.8
57.03451	2.3
58.00602	0.4
59.01375	9.7
61.98825	1.7
69.41264	1.3
69.41671	0.6
71.01379	7.9
72.99277	0.7
73.02950	3.9
75.00867	0.8
78.91897	0.3
78.95926	0.3
83.01383	3.3
85.02946	5.3
85.03459	0.3
86.00087	0.8
87.00865	1.0
88.98808	0.3
89.02453	1.1
93.32694	0.2
95.01361	1.2
99.00874	1.6
101.02435	9.5
111.00864	1.1
113.02442	2.9
125.02385	0.4
129.01968	0.3
131.03508	0.2
141.01834	0.4
151.03949	0.3
159.03018	0.5
161.04555	0.7
211.16991	0.4
213.18623	1.5
225.18675	0.3
285.24442	0.4
287.22385	0.5
311.25906	0.3
329.27026	2.0
357.26587	0.3
375.27536	1.1
400.53067	0.3
482.52994	0.3
491.32529	0.7
537.32806	100.0
538.33154	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45689	0.3
59.01374	3.3
59.66796	0.2
61.98828	2.5
64.78094	0.3
71.01379	0.9
71.56635	0.4
73.02926	0.9
75.00838	0.3
78.91882	0.5
78.95897	1.6
79.95729	3.9
82.95387	0.4
89.02428	0.2
96.96006	100.0
97.93085	0.3
99.42763	0.3
101.02464	0.8
113.02439	0.4
113.92626	0.5
114.93438	1.7
116.92837	0.9
126.90439	0.4
163.03995	0.7
178.06375	1.1
193.08696	2.6
211.13350	1.8
401.80750	0.3
447.22369	0.3
497.03119	0.3
539.26575	0.3
539.34326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.7
55.30906	1.3
57.03435	5.9
58.00608	1.4
59.01376	100.0
61.98825	15.4
69.03421	2.4
69.37372	10.7
71.01379	54.9
71.66872	1.3
72.99304	3.4
73.02943	24.7
75.00856	2.0
82.95411	1.5
83.01389	20.2
85.02943	30.5
87.00858	4.0
88.98785	2.0
89.02451	9.2
95.01384	4.3
96.96007	1.5
97.02923	3.0
99.00873	8.8
101.02435	54.3
111.00909	2.6
113.02444	24.7
119.03483	3.7
123.04458	1.7
125.02422	8.1
143.03462	6.4
159.02956	2.9
161.04536	16.2
169.13893	1.2
203.05560	2.5
206.94247	1.5
250.96791	1.4
251.23895	1.2
253.04886	7.9
289.16501	21.8
290.16541	1.3
305.08725	1.8
331.17563	8.2
353.10785	1.3
355.17572	1.5
433.20758	15.0
451.21820	58.8
452.21945	2.4
493.22864	16.6
537.25311	2.2
537.32959	43.9
538.32904	1.6
547.07458	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	537.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.82231	0.8
61.98823	3.8
69.34098	5.9
72.18576	0.9
78.60664	0.8
95.37798	0.9
100.45676	0.8
109.02935	0.9
125.09734	1.5
171.10262	5.2
209.11836	1.8
211.13383	2.9
215.14360	1.1
233.15457	3.1
249.14871	2.1
385.23547	1.5
397.06931	1.8
427.07669	1.5
459.27493	21.4
460.28018	1.4
477.28534	10.0
537.11676	2.8
537.29321	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	537.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03585	0.2
55.98176	0.2
60.38910	0.2
61.98817	0.3
65.03925	0.2
71.39439	0.3
79.75639	0.2
91.01889	0.3
95.01368	0.5
98.09246	0.2
103.35776	0.2
108.02162	3.0
109.02967	2.1
123.00895	0.3
123.04514	4.9
124.01618	0.3
135.00952	0.2
138.20067	0.2
215.11896	0.2
239.03450	0.3
250.02815	0.2
251.67857	0.2
257.08240	0.3
266.02173	0.3
285.05609	0.3
301.05060	0.2
312.04214	0.6
313.05023	1.6
314.05695	0.4
325.05029	0.5
326.05771	0.2
327.06531	0.5
328.07120	0.3
331.06375	0.2
335.06775	0.3
337.08981	0.2
339.06641	0.4
340.03705	3.2
340.07507	0.3
341.04520	5.5
342.05124	0.7
349.08914	0.2
353.04391	0.4
354.05182	0.3
355.06100	4.6
356.06848	4.1
357.07562	1.4
361.08542	0.3
363.06531	0.6
368.02856	0.4
368.06976	0.5
369.03961	2.5
370.04419	0.5
371.09225	2.7
372.10281	0.4
375.06644	0.3
376.07278	0.3
376.12198	0.2
377.08179	0.6
379.06152	0.5
380.06744	0.4
381.07712	0.4
383.05283	1.0
384.06375	3.8
385.06967	0.3
388.07074	0.4
389.08261	0.5
391.06082	0.6
392.92633	0.2
393.07465	0.5
394.08298	0.2
395.09113	0.6
398.07938	0.5
399.08752	1.6
403.05725	0.3
404.06985	0.8
405.07553	2.8
407.05441	0.6
409.06717	0.3
410.07785	0.5
411.12604	0.3
413.10330	0.3
419.09119	0.6
420.10043	0.6
421.06750	1.6
422.07800	0.4
423.08597	0.5
432.06522	0.5
433.07016	1.6
435.08292	1.0
436.09305	0.7
437.10190	0.6
439.12079	0.5
446.07861	0.3
447.08972	0.9
448.09671	2.0
449.06076	1.1
450.07590	0.2
463.12314	1.4
464.08902	2.1
465.09470	0.5
475.08344	0.4
477.05988	0.4
479.11337	8.4
480.11713	0.5
488.49185	0.2
490.10510	0.3
492.08481	4.2
507.10767	16.4
508.11206	1.0
521.12750	0.3
522.13123	21.6
523.13287	1.4
537.15485	100.0
538.15790	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	537.155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	0.3
76.85989	0.2
80.35877	0.2
90.27638	0.2
93.98396	0.2
95.01340	0.2
100.79272	0.2
108.02208	0.4
109.02940	0.5
123.04540	0.3
133.02969	1.9
172.01613	0.7
182.03725	0.4
182.05502	0.2
186.42229	0.2
198.03265	0.3
211.03975	0.2
219.33745	0.2
226.02673	1.6
229.45589	0.2
238.02579	0.6
239.03384	0.9
240.04266	1.1
241.05020	0.7
252.04156	0.3
254.05824	0.7
256.51770	0.2
263.03445	0.2
267.06619	0.4
313.05176	0.5
316.03720	0.2
327.67203	0.3
341.04520	0.5
342.05222	1.0
343.06039	0.4
349.08896	0.2
354.82962	0.2
356.06747	0.4
357.07602	0.5
360.07608	0.3
369.04089	0.3
371.05460	0.3
376.07492	0.6
377.08057	1.3
379.06216	0.3
381.07645	0.5
383.05692	0.5
384.06299	0.6
386.07916	0.3
387.06384	0.3
388.07321	0.3
389.08295	0.4
393.07632	0.9
398.07947	0.5
399.08551	0.9
403.05984	0.5
404.06754	1.6
405.07620	3.9
406.08578	0.2
407.05234	0.4
413.10226	0.3
416.06717	0.7
417.07648	0.4
419.09351	1.3
420.09909	1.0
421.07104	3.0
431.09708	0.3
432.06226	1.4
433.07162	2.9
435.08417	0.3
436.09476	0.6
446.07977	0.3
447.08691	0.9
448.10446	1.3
449.06601	3.5
460.05649	1.5
461.06485	2.6
463.07111	1.3
464.08939	6.6
465.09579	0.4
474.07642	0.3
475.08090	2.0
476.09070	4.6
477.09708	0.3
479.11316	15.0
480.11926	1.0
490.10394	1.2
491.11633	3.6
492.08325	2.6
505.12936	0.9
506.10080	0.4
507.10788	24.2
508.11423	1.8
521.12500	0.7
522.13141	22.4
523.13586	1.5
537.15491	100.0
538.15802	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	536.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48064	0.2
54.57191	0.2
55.62280	0.2
59.01377	31.0
61.98828	100.0
71.01371	2.2
73.02924	0.5
82.27933	0.2
83.01356	0.3
85.02943	0.5
87.00832	0.2
89.02451	2.0
98.19832	0.5
101.02453	1.4
105.63193	0.2
113.02416	1.0
113.33681	0.2
119.03481	0.4
128.22055	0.3
134.08685	0.3
150.03244	0.3
151.03929	0.4
161.04437	0.7
165.05475	0.3
167.03336	0.3
179.05623	0.2
189.12694	0.6
206.93510	0.2
253.04813	0.3
285.53082	0.2
327.04700	0.3
369.18683	0.4
387.20123	1.9
388.14108	0.2
429.21289	1.7
494.23138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79523	0.8
59.01369	2.2
60.99300	9.0
61.98818	2.2
62.92170	0.8
69.38995	6.5
71.01376	1.3
74.51897	0.7
76.60400	0.8
83.00446	0.8
83.01360	1.1
88.98797	58.0
89.02444	1.9
95.01803	0.9
109.02929	1.4
113.02432	1.2
121.02893	0.9
125.02430	1.5
133.02927	8.5
134.03712	1.0
135.04529	1.3
137.02412	1.5
139.92538	0.7
147.04475	1.1
147.96220	0.7
149.02434	2.9
150.03241	1.6
155.49933	0.8
161.02486	0.8
163.00395	0.9
163.04012	2.7
165.01924	2.1
165.05569	1.0
175.03989	2.5
191.03467	2.0
193.05048	1.6
195.06679	1.1
202.09941	0.7
211.03946	1.0
213.05548	1.0
225.05475	1.4
269.04504	0.9
271.09723	2.7
274.64386	0.9
284.03223	9.4
285.04031	6.5
297.04007	14.9
298.04733	7.9
299.05563	17.0
309.04065	1.2
311.05508	2.1
325.03610	1.1
327.05057	100.0
328.05499	4.8
339.05093	3.7
357.01672	1.3
357.06125	24.8
358.06573	1.2
369.06033	1.8
447.09268	95.8
448.09467	6.1
490.05252	0.8
562.29309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25849	0.3
57.03428	0.7
59.01378	33.3
59.38525	0.3
60.01705	0.4
61.98827	100.0
65.93407	0.3
69.42381	2.5
71.01380	1.7
71.39063	0.3
73.02946	0.9
82.95412	6.9
84.95123	1.4
89.02440	1.9
96.95996	0.4
99.04509	0.4
101.02441	1.9
108.02172	0.8
109.03730	0.3
113.02466	1.3
119.03495	1.1
122.81348	0.3
123.04512	2.6
124.04869	0.8
125.02473	0.5
161.04556	0.8
165.01883	1.8
166.02527	1.1
179.03450	0.7
180.03864	0.4
181.05130	0.7
189.12863	0.7
251.78416	0.3
253.05142	0.4
287.09183	3.4
288.09586	5.7
387.20163	1.8
429.21423	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
59.01376	19.2
61.98832	7.0
65.00333	1.3
66.17135	0.5
68.99555	1.2
69.03457	0.7
69.34914	3.5
69.35321	1.1
71.01378	5.2
72.99253	0.5
73.02937	3.1
76.35255	0.6
77.03977	1.3
78.03468	1.9
79.01903	1.6
83.01382	1.0
84.61192	0.6
85.02948	2.0
87.00842	0.8
89.02446	1.6
93.03466	1.5
95.01391	1.1
96.95982	1.8
98.20706	1.3
99.00885	0.7
101.02425	3.7
105.03446	0.8
107.01407	0.7
112.98550	1.3
113.02447	2.0
117.03452	13.2
117.04271	0.7
119.03516	0.7
119.04999	1.6
121.02954	3.3
122.02476	45.3
123.02794	0.9
125.02454	1.0
135.04512	1.7
149.02423	1.0
151.00415	1.0
159.04509	2.0
161.02409	6.9
161.04565	1.8
161.07115	0.6
163.00366	2.2
163.03979	2.5
165.01884	1.7
173.02437	0.6
173.06036	0.7
175.00354	0.9
175.03915	1.3
177.01920	0.9
183.04474	1.8
183.08150	0.8
191.03406	0.9
193.01390	1.4
197.06096	1.4
209.06218	0.7
211.07597	1.1
224.04813	1.1
225.05431	1.0
225.14882	1.4
237.05479	0.6
239.07098	2.3
240.04123	0.7
249.05740	0.6
253.05051	3.2
254.05673	1.3
268.03745	2.8
269.04547	10.6
270.04776	0.6
279.06668	0.9
281.04538	17.0
282.05273	7.9
283.06104	48.2
284.06406	2.3
293.04520	4.3
295.06088	10.4
308.03207	1.0
309.03992	1.5
311.05579	100.0
312.05972	4.7
314.04318	2.3
321.04086	1.1
323.05573	20.0
324.05994	0.7
327.05258	0.9
332.08551	1.3
341.06619	32.7
342.07181	1.1
353.06613	3.4
371.07635	0.7
373.25586	0.8
374.13989	2.6
377.06711	1.0
381.59436	0.7
395.07629	4.3
413.08737	76.5
414.09161	4.0
431.26468	1.4
432.26752	2.2
449.27771	0.8
477.30917	0.7
492.25366	0.7
518.10864	2.2
535.31500	4.9
536.11945	41.4
536.31683	5.4
537.12500	3.0
537.32684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73713	1.1
55.01860	1.7
57.03444	2.4
59.01379	54.0
61.98828	22.6
67.02960	1.2
69.03455	1.7
71.01380	19.8
71.58717	1.3
72.99298	2.3
73.02953	7.3
75.00863	1.2
83.01402	5.5
85.02950	8.2
87.00859	2.1
89.02460	2.8
93.03419	2.2
96.96001	9.9
99.00883	2.1
101.02453	10.8
109.02953	2.1
113.02436	6.7
115.58954	1.3
123.04543	1.5
125.02427	2.8
137.02438	2.6
137.76857	1.1
143.03487	1.4
167.03476	2.0
178.96263	2.6
220.69870	1.1
226.43018	1.1
253.08693	4.6
255.02800	1.6
269.04300	1.2
269.21292	2.3
271.09729	4.2
283.02420	3.4
287.22232	24.9
288.22577	1.6
297.04089	1.9
298.04800	9.4
305.72070	1.2
313.07169	18.7
314.04382	1.8
314.07584	2.3
329.23151	1.9
331.28326	1.5
337.10806	18.9
338.11292	2.0
428.03070	1.5
431.26517	12.0
433.14719	2.3
449.27536	32.5
450.27780	3.1
475.32892	9.7
491.28592	100.0
492.29202	5.9
493.17398	1.7
493.33591	4.8
535.22980	1.8
535.31305	5.9
535.77942	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	535.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13208	1.2
51.05691	1.2
54.22751	1.2
57.03447	65.1
59.01377	100.0
60.99299	5.2
61.98839	8.6
66.36637	1.2
69.83155	5.3
71.01385	10.8
72.99311	1.8
73.02943	10.2
75.00858	2.5
81.03452	2.7
81.96973	1.3
83.01371	2.9
85.02940	4.2
88.98804	31.9
89.02444	4.3
89.31689	1.3
96.96033	2.2
98.19865	1.7
99.04517	68.8
101.02435	26.5
113.02422	8.5
115.10459	1.5
119.03474	2.6
121.02896	1.4
122.03754	2.1
123.04520	2.5
125.02442	31.6
135.02966	2.4
135.04485	1.5
138.52122	1.2
143.03465	4.5
149.02411	3.0
149.04482	1.8
151.00336	2.2
161.04532	4.1
165.05586	1.5
167.03519	1.6
168.53180	1.3
175.00270	2.3
179.05617	1.6
190.02721	8.7
205.05072	8.4
206.12567	1.3
209.11778	2.4
216.71294	1.4
223.06140	1.9
225.14928	2.6
227.12854	10.6
269.04688	7.5
269.14066	3.4
287.09500	2.9
287.11966	2.3
287.14987	41.5
329.16122	1.7
347.17047	2.7
367.10501	1.8
415.23410	2.6
445.07608	2.0
491.15585	9.3
491.21527	2.1
535.13458	2.1
535.20807	4.1
535.31256	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	535.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73713	1.1
55.01860	1.7
57.03444	2.4
59.01379	54.0
61.98828	22.6
67.02960	1.2
69.03455	1.7
71.01380	19.8
71.58717	1.3
72.99298	2.3
73.02953	7.3
75.00863	1.2
83.01402	5.5
85.02950	8.2
87.00859	2.1
89.02460	2.8
93.03419	2.2
96.96001	9.9
99.00883	2.1
101.02453	10.8
109.02953	2.1
113.02436	6.7
115.58954	1.3
123.04543	1.5
125.02427	2.8
137.02438	2.6
137.76857	1.1
143.03487	1.4
167.03476	2.0
178.96263	2.6
220.69870	1.1
226.43018	1.1
253.08693	4.6
255.02800	1.6
269.04300	1.2
269.21292	2.3
271.09729	4.2
283.02420	3.4
287.22232	24.9
288.22577	1.6
297.04089	1.9
298.04800	9.4
305.72070	1.2
313.07169	18.7
314.04382	1.8
314.07584	2.3
329.23151	1.9
331.28326	1.5
337.10806	18.9
338.11292	2.0
428.03070	1.5
431.26517	12.0
433.14719	2.3
449.27536	32.5
450.27780	3.1
475.32892	9.7
491.28592	100.0
492.29202	5.9
493.17398	1.7
493.33591	4.8
535.22980	1.8
535.31305	5.9
535.77942	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	535.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45280	0.2
57.03439	0.2
59.01371	3.9
61.98824	1.1
64.05764	0.2
67.01856	0.2
69.37042	1.6
71.01384	1.2
73.02950	0.5
75.00873	0.2
81.03451	0.2
81.34629	0.2
83.01408	0.2
84.95118	0.5
85.02953	0.5
87.90995	0.2
89.02457	0.3
93.03457	0.6
95.01381	0.3
95.05004	1.1
96.17413	0.2
96.95976	0.5
101.02444	0.8
105.03467	0.4
108.02173	0.3
113.02427	0.4
121.02956	0.5
122.03747	1.1
123.04517	81.7
124.01707	0.2
124.04830	1.2
137.02356	0.2
153.05568	100.0
154.02718	0.3
154.05879	1.8
181.05045	0.2
237.07649	0.9
237.69829	0.2
251.08179	0.2
311.79675	0.2
331.25018	0.5
353.69101	0.2
373.25592	0.2
475.28986	0.7
493.30460	0.5
499.68915	0.2
524.45886	0.2
535.23944	0.4
535.31268	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	535.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.4
59.01070	0.6
59.01376	14.1
61.98825	15.7
69.50570	0.5
69.82238	3.0
71.01373	2.1
73.02940	1.1
80.02683	0.6
82.95412	15.4
83.01397	0.8
89.02449	1.2
91.65500	0.5
96.95997	0.9
99.04513	5.5
101.02462	3.1
101.45361	0.5
107.01326	0.7
107.05028	0.7
108.02162	12.9
108.02903	0.7
109.02953	1.0
113.02439	1.2
119.03577	0.7
121.02946	1.5
123.00901	2.6
123.04516	35.4
124.04849	0.9
125.02451	2.3
135.04503	5.4
136.01605	0.6
137.02400	1.8
143.03494	0.6
149.02379	0.9
151.00359	1.6
151.04015	1.3
161.04555	0.9
163.04008	2.1
165.01918	24.5
166.02702	11.5
167.03224	0.6
179.03476	10.3
179.05038	0.8
179.05678	0.5
180.04189	1.1
181.05046	11.7
185.11397	0.5
192.91133	0.5
212.03246	1.2
220.28934	0.5
234.52982	0.6
237.05556	0.6
255.06445	0.6
269.04581	1.1
280.02792	0.5
284.69348	0.5
287.09229	100.0
288.09598	4.5
338.73129	0.6
415.23566	0.6
491.11862	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	535.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13626	0.7
53.62928	0.7
57.03446	1.6
58.00571	1.3
59.01379	38.4
61.98829	41.0
71.01380	14.7
71.58854	1.0
72.99306	0.8
73.02937	3.9
74.27151	0.6
78.27998	0.7
82.95411	14.0
83.01367	1.3
85.02955	4.2
87.00861	1.6
89.02442	13.7
91.01874	0.7
92.10228	0.7
93.03448	1.1
95.01388	1.1
96.95999	3.1
99.00860	1.0
99.04540	0.7
101.02447	7.2
103.00371	2.9
107.05075	0.8
108.02168	15.9
109.02950	1.8
113.02441	5.9
119.03510	5.6
121.02946	1.4
123.00870	2.6
123.04520	33.7
124.04873	0.9
125.02441	1.6
131.03481	1.0
135.04515	4.2
137.02435	1.2
149.02452	0.9
151.04012	1.6
161.04523	2.6
162.06032	0.7
163.04008	1.8
165.01924	25.9
166.02695	10.6
167.03419	1.3
169.39473	0.7
175.02420	1.6
179.03477	10.4
179.05574	3.2
180.04265	1.6
181.05057	10.7
193.04913	0.9
209.06177	1.0
223.13437	1.4
224.13628	1.3
267.07141	1.8
283.87073	0.8
287.09232	100.0
288.09647	3.6
329.14001	1.5
415.23331	2.6
431.09534	0.9
431.23059	0.9
475.25598	1.0
535.20367	5.8
535.27692	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	535.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21682	0.3
57.03443	16.2
59.01375	18.1
61.98827	10.6
62.85271	0.3
63.86843	0.3
64.04363	0.3
69.48149	2.5
71.01379	3.7
73.02959	1.8
75.00816	0.4
81.03443	1.9
83.01379	7.0
85.02935	1.5
87.00891	0.4
87.04514	0.4
89.02444	1.9
95.01385	0.4
96.95959	0.4
98.19901	0.7
101.02454	3.1
104.24019	0.3
109.02966	0.8
113.02451	1.4
119.03502	1.0
121.02956	0.7
123.04513	1.7
124.01654	0.4
124.39658	0.3
125.02438	100.0
126.02763	1.5
133.02965	1.2
134.03693	0.3
135.04512	0.4
137.02458	0.6
143.03506	0.4
147.94865	0.3
148.01740	0.3
149.02397	0.6
149.04564	0.5
149.06056	0.3
151.00298	0.4
151.04028	0.4
152.01114	0.5
161.02428	14.4
161.04575	0.8
162.03128	0.5
163.03943	0.4
165.01888	0.9
165.05557	0.5
167.03497	0.4
175.02434	0.5
177.01935	1.1
190.02707	0.4
201.05544	0.7
205.05035	0.4
225.15009	0.4
239.65868	0.3
265.09344	0.7
269.04416	0.7
285.03986	0.4
286.04120	0.3
287.05621	6.9
287.09006	0.7
287.15240	0.5
353.10092	0.4
354.11087	0.3
355.10977	0.3
355.24985	0.4
356.10751	0.3
373.26172	0.7
415.23331	0.5
491.11880	25.2
492.12155	1.7
535.17700	0.8
535.24884	0.7
535.31427	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	535.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96941	0.7
57.03443	1.4
57.52974	0.6
59.01376	21.4
61.98827	4.8
63.02403	1.4
65.00324	10.9
69.72990	0.7
71.01376	6.4
71.56367	1.0
73.02939	2.6
83.01383	4.6
85.02953	2.5
87.04539	0.7
88.24235	0.7
89.02437	2.7
96.95984	1.4
101.02421	5.8
101.31101	0.7
105.95140	0.7
107.01383	18.2
109.02931	3.2
113.02443	3.4
116.92866	0.9
119.03499	1.3
121.02950	1.4
121.05246	0.8
125.02464	4.3
133.03014	0.8
134.03729	1.7
135.04520	63.5
136.01616	0.6
136.04883	1.4
151.00356	100.0
152.00731	1.1
159.04410	0.8
161.02483	1.3
161.04498	1.5
165.01955	1.6
169.01274	0.8
177.01932	0.9
182.32921	0.8
201.01843	0.7
213.84869	0.6
269.04504	1.1
287.05594	69.4
287.18442	1.2
288.05960	1.9
331.08209	1.0
331.12082	1.7
449.10938	1.1
475.28812	1.2
491.11871	32.1
492.12329	2.2
535.23755	3.2
535.31372	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	534.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00182	0.2
59.01376	1.7
61.98827	100.0
69.32328	0.8
69.32731	0.7
71.01375	0.3
85.02956	0.3
96.96012	3.7
100.15659	0.3
141.15784	0.2
152.99622	0.4
162.83875	0.3
257.67017	0.2
259.59409	0.2
449.27368	0.3
491.28534	0.6
534.34131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	16.1
59.01376	41.0
61.98829	14.1
68.36251	0.7
69.03458	1.0
71.01379	13.1
72.99324	0.8
73.02937	13.0
81.03465	1.6
83.01387	10.4
85.02950	3.0
87.00861	1.2
89.02428	4.9
93.03449	1.1
95.05027	1.0
97.03027	1.6
99.00894	1.1
99.04516	3.1
101.02439	9.8
108.02202	1.6
109.02958	4.6
113.02425	6.4
119.03487	1.8
120.64348	0.7
121.02952	1.9
123.04516	2.2
124.01681	1.0
125.02441	100.0
126.02759	1.0
131.03575	1.2
133.02936	5.7
135.04436	0.9
137.02429	2.5
139.04019	6.5
143.03511	1.3
149.02431	7.6
149.04465	1.5
151.04048	0.8
161.02441	37.6
161.04587	3.4
163.03996	1.3
165.01884	1.9
165.12881	1.0
167.03477	6.0
177.01909	3.0
177.05641	1.0
190.02576	1.3
191.03458	1.2
205.04999	1.1
207.13969	1.6
209.11829	5.5
219.03084	1.0
225.14975	2.9
227.12856	0.9
251.12836	0.8
269.13916	19.4
285.03989	2.7
287.05615	47.2
287.14999	3.2
288.06003	1.7
299.05603	2.2
311.05679	5.0
313.10916	2.4
329.06638	15.0
330.14011	1.2
355.04501	1.0
355.11829	1.0
395.95975	0.9
403.11511	0.9
415.07114	1.2
415.23175	0.8
423.60645	0.9
491.12000	15.1
491.21387	13.1
515.05060	0.8
535.11646	1.4
535.31763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
61.98838	0.7
64.64015	0.3
68.99581	0.4
69.31999	2.2
69.32412	0.7
78.95899	6.5
85.06593	1.1
103.78430	0.4
109.29469	0.3
110.98530	5.5
110.99246	0.5
131.20345	0.4
137.95580	0.3
152.99638	0.7
155.14392	0.4
165.12859	0.8
167.01128	2.4
181.12343	0.6
185.02168	3.7
199.13370	14.2
261.18469	0.7
279.19650	10.0
279.22931	0.7
293.08981	0.4
329.03604	0.4
347.25888	5.1
363.25385	0.7
365.26926	100.0
366.27274	5.7
476.27838	0.9
533.28796	22.0
534.29297	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	534.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
58.00584	0.9
59.01375	65.8
60.01706	0.5
61.98826	100.0
64.41216	0.5
69.03454	1.0
71.01376	21.6
71.25999	1.0
72.99292	0.8
73.02941	35.9
75.00856	0.9
81.45195	0.5
83.01380	9.7
84.95140	0.8
85.02968	1.9
87.00883	1.1
88.98813	0.6
89.02435	6.8
95.01359	0.6
100.96982	0.5
101.02438	35.8
113.02449	10.4
117.03502	0.7
119.03504	4.2
125.02416	1.4
131.03516	3.7
143.03503	4.2
149.04539	10.3
153.09183	1.2
155.03482	1.0
161.04543	17.0
203.05504	1.5
221.06645	6.3
223.13435	0.6
264.06561	0.8
265.07349	1.6
266.07886	0.9
269.04672	0.6
279.08975	0.9
280.09824	1.0
287.09213	0.8
296.06378	0.9
297.07507	1.2
298.07977	1.6
312.12396	5.2
324.05957	0.8
325.07068	0.8
326.07382	0.9
329.06305	1.1
353.06516	1.4
354.07013	5.0
354.22360	0.6
360.08661	0.5
366.07101	0.8
367.17584	2.3
383.07614	1.0
384.07965	3.2
407.76871	0.6
414.08807	0.9
427.19531	1.6
444.09912	1.2
474.11072	1.2
534.13184	22.6
535.13464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.8
57.03444	0.9
59.01377	34.8
61.98824	3.8
71.01382	10.7
71.58897	1.2
73.02938	5.3
74.23363	0.8
78.95919	0.6
80.78468	0.6
83.01377	2.5
85.02944	6.8
86.00055	0.8
87.00854	2.8
95.01379	4.2
96.96010	1.8
99.00859	1.9
101.02435	10.2
107.31020	0.7
111.00877	0.9
113.02427	4.2
123.00880	5.7
125.02406	1.1
129.39053	0.8
135.04472	1.7
161.04555	0.7
205.60463	0.7
217.00237	0.8
239.20184	1.0
267.19574	1.3
285.20609	6.6
303.65598	0.8
401.25488	0.9
429.24744	4.6
447.25970	21.8
489.27005	100.0
490.27277	5.7
526.68793	0.8
533.33276	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.0
57.03443	31.8
59.01373	19.8
59.01651	3.4
67.01873	7.4
68.63631	2.2
70.28968	5.9
71.01371	33.0
71.85370	2.3
72.99310	3.9
73.02934	5.7
75.00861	4.1
83.01367	7.0
85.02946	15.9
87.00866	74.6
89.02438	15.0
95.70712	2.2
99.00864	23.6
101.02454	23.0
111.00864	8.6
115.00351	4.5
117.01913	12.6
119.03484	9.1
123.90778	2.1
126.28477	2.1
129.01933	100.0
147.02979	36.5
148.94902	2.1
149.04622	3.2
153.01978	2.5
191.01950	81.5
191.05556	20.9
221.91298	2.2
278.21295	2.4
287.69156	2.4
315.29791	2.3
341.10818	9.8
404.92377	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	533.1662
Annotation	5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside
Peak:m/z	Relative Intensity
51.37870	0.3
59.01376	100.0
60.01693	0.5
61.98824	0.6
69.90589	1.6
71.01406	0.4
99.04502	0.8
109.40512	0.3
165.12766	0.5
211.03938	6.0
239.03482	22.6
240.03967	0.7
254.05826	32.9
255.06192	0.9
269.08160	63.8
270.08414	2.6
274.35583	0.5
313.35104	0.5
533.26715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30624	0.4
59.01148	0.4
59.01378	4.4
61.98573	0.4
61.98833	4.1
69.78308	2.5
71.01372	1.9
73.02916	1.8
83.01376	0.7
84.74765	0.5
84.95111	0.6
88.98817	0.7
91.01891	0.7
93.03438	1.1
98.19825	0.5
101.02407	1.3
113.02422	0.8
117.03430	3.0
117.34389	0.5
119.04986	0.9
128.63338	0.4
135.00923	0.7
135.04520	1.9
135.38062	0.4
145.06654	0.6
147.04559	0.6
149.02374	0.7
149.04491	0.6
159.04445	1.0
161.02412	1.9
161.04539	1.2
163.03937	0.8
173.06129	0.6
175.04001	1.4
177.01891	0.5
177.05550	0.9
185.22086	0.5
187.03891	0.5
190.09074	0.5
191.03468	1.2
197.06087	0.8
203.03516	1.1
205.04976	0.8
217.04843	0.6
221.04379	0.8
233.04456	0.7
253.08751	0.6
267.06534	0.6
268.07257	0.7
269.04553	2.4
279.06662	0.5
281.04303	0.8
282.05286	2.0
283.06082	4.0
295.06097	3.6
296.06839	1.9
297.07654	14.2
307.06036	1.3
309.07568	2.6
311.05542	3.6
321.07730	0.7
323.05737	2.8
324.06381	0.8
325.07150	7.7
327.04990	0.8
328.05896	2.8
335.05560	1.0
337.07214	3.2
341.06656	0.6
351.05179	0.7
353.06641	28.6
354.06796	1.6
355.08145	0.9
356.05185	0.7
365.06555	5.0
383.07672	21.5
384.08011	1.0
395.07727	2.9
407.07858	1.3
413.08411	3.2
425.08627	2.2
443.09775	12.5
444.10321	0.5
455.09692	0.8
473.10907	5.8
489.10745	0.5
515.11731	1.8
533.12946	100.0
534.13196	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	533.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91396	1.5
54.17392	1.8
54.84617	1.6
57.03444	24.9
59.01366	7.2
66.32772	1.8
67.01886	4.3
71.01385	23.1
73.01252	1.6
73.02935	1.6
75.00867	2.0
83.01380	5.0
85.02952	19.4
87.00878	42.6
89.02438	9.9
90.60336	1.5
99.00872	9.4
101.02430	15.2
111.00853	5.0
119.03481	6.3
123.77136	1.7
129.01939	100.0
147.02985	16.4
148.94946	2.4
149.04538	2.5
191.01956	71.5
191.05573	11.4
275.14832	1.6
341.10681	3.2
401.64471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.3
59.01377	30.4
61.31728	1.0
61.98815	3.6
66.33754	0.9
71.01379	11.6
71.57035	1.9
72.99294	1.5
73.02939	4.1
76.83371	1.0
83.01353	2.0
83.05010	1.2
85.02932	4.0
87.79574	1.1
89.02434	7.1
91.01889	2.6
96.96002	1.9
101.02426	8.8
107.01375	1.3
107.05079	1.2
108.02191	2.0
113.02460	6.2
117.03432	1.1
119.03464	1.4
121.02989	1.0
121.05037	1.5
123.04529	1.1
131.03528	1.2
133.02928	3.8
134.03699	3.7
135.00844	4.0
146.03711	1.0
147.04478	1.4
149.02386	2.5
149.05963	1.8
151.00336	1.2
159.04544	2.0
161.04539	1.9
162.03064	1.3
165.05527	1.8
173.02399	1.4
174.03209	3.3
175.04002	1.3
179.05573	1.6
181.06596	1.5
187.04070	1.6
187.06084	1.2
187.11249	1.2
188.04800	1.4
191.03456	1.0
191.06999	1.9
193.03468	2.7
199.04071	1.4
202.02730	2.4
203.21541	1.0
205.12256	1.9
207.10254	2.2
211.03940	1.9
215.03398	1.7
220.03616	1.3
223.03964	1.3
224.04674	1.4
225.05348	1.4
233.41222	1.1
237.05560	1.6
239.03510	6.2
239.07129	1.2
240.04143	2.6
249.05637	1.2
249.11235	1.2
251.07114	3.7
253.05070	3.2
261.05762	1.5
263.07068	1.8
265.09201	2.6
267.03058	5.6
267.06531	4.2
268.03741	57.8
269.04510	100.0
270.04892	4.1
279.06647	5.6
282.08942	2.5
283.10352	5.4
284.03281	12.2
285.03961	16.5
285.07562	5.2
294.05322	2.9
294.08887	2.8
295.05838	1.9
305.04532	2.1
307.06183	1.8
308.06885	1.4
309.07593	3.0
311.05545	2.3
320.06650	1.7
322.08438	1.5
323.05496	4.5
323.08905	1.7
325.11554	1.6
338.07797	6.9
341.10300	14.7
353.05975	2.4
353.10239	40.6
354.10574	1.3
364.27414	1.2
371.11252	10.7
395.11111	3.1
400.94299	1.1
413.08682	7.1
431.22400	1.3
473.10849	51.4
474.11060	2.6
489.10211	18.9
533.14410	3.9
533.22333	17.2
533.29413	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48989	0.5
57.03454	0.9
59.01377	7.5
61.98841	1.7
63.02400	1.2
65.00350	1.1
67.16404	0.4
67.22115	0.6
70.95845	0.6
70.96173	1.2
71.01373	3.5
72.99323	2.1
73.02943	1.4
82.61098	0.5
83.01358	1.1
85.02942	1.3
88.98844	1.2
89.02473	2.4
91.44510	0.5
92.06763	0.5
96.96008	1.5
97.33200	0.5
98.95602	0.7
101.02448	1.4
103.00383	0.8
107.01408	2.2
109.02949	0.9
113.02464	2.6
120.65849	0.6
121.02943	0.8
125.02465	0.7
131.03540	0.7
132.02228	0.6
133.02963	3.7
134.03741	1.1
148.01691	0.7
149.02441	8.7
149.04639	0.5
149.46777	0.5
151.00339	5.3
156.71593	0.5
159.04547	0.7
175.03998	1.6
187.04030	0.7
193.03497	3.9
199.03999	1.9
200.04704	0.6
211.04140	1.1
217.05043	1.1
224.68159	0.5
227.03549	0.6
239.03441	0.7
255.02882	1.5
256.03757	4.5
257.04453	0.6
268.03836	2.2
269.04553	5.0
284.03247	65.3
285.04037	92.0
285.07535	6.5
286.04434	3.6
286.07309	0.7
327.04959	1.5
353.06100	1.3
383.07129	0.8
413.08221	0.7
447.09402	2.0
459.47580	0.7
473.10852	2.7
489.10339	100.0
490.10800	5.7
533.11938	4.3
533.29437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78329	0.3
55.01871	0.6
57.03446	0.4
58.00596	1.1
59.01377	63.4
60.01691	0.4
61.98819	1.0
63.99303	0.4
69.03456	1.4
69.34726	2.7
71.01378	31.7
72.01735	0.4
72.99310	1.3
73.02942	55.4
75.00883	0.7
76.24661	0.3
81.03468	0.5
83.01381	14.7
85.02943	4.7
87.00877	1.4
88.98816	0.4
89.02439	9.7
92.05053	0.8
93.03455	4.3
95.01395	1.6
96.96025	0.9
97.02947	0.6
98.19852	0.5
99.00887	0.8
101.02436	44.7
102.02774	0.4
102.75443	0.3
113.02446	14.6
114.02753	0.3
117.02002	0.3
119.03481	5.1
120.04580	0.6
121.02948	41.9
122.03831	1.7
123.04552	2.1
125.02438	1.5
127.04058	0.4
131.03496	3.1
132.54744	0.3
143.03513	3.7
147.03151	0.4
148.04037	26.8
149.04538	4.8
150.05579	3.2
155.03438	1.6
161.04539	10.0
175.68100	0.3
179.05527	0.4
203.05553	1.0
221.06618	1.5
223.06038	0.5
266.66220	0.3
267.53806	0.4
310.09222	1.8
328.10333	19.8
329.10693	1.2
336.22629	0.3
370.11377	100.0
371.11734	4.8
532.16339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06215	0.8
53.36365	0.8
55.08475	0.9
57.03440	1.2
59.01379	8.2
61.98807	1.8
63.45156	0.9
69.28883	6.7
71.01372	3.7
73.02943	1.0
74.22282	0.8
75.00878	1.3
79.01887	1.0
85.02943	1.3
87.00800	0.9
88.98790	7.8
89.02430	2.6
93.03416	0.9
96.96016	4.9
97.02921	1.1
101.02425	2.7
105.03510	0.8
109.02935	2.0
113.02456	1.4
117.03397	1.4
119.03526	1.1
119.05012	2.1
121.02908	2.7
124.90627	0.8
125.02424	2.4
133.02942	14.6
135.04503	1.8
147.04478	1.5
149.02435	1.9
151.03975	1.9
161.02367	2.4
163.00328	2.1
163.03986	4.1
165.01895	1.9
174.01666	1.0
175.03957	3.0
182.17577	0.8
191.03429	2.8
193.01363	2.4
199.03979	1.9
201.01906	1.1
213.05632	1.0
216.63683	1.1
217.01428	1.0
227.03531	0.9
240.04114	1.4
253.05058	1.4
255.02962	1.3
257.04385	1.3
267.06769	1.2
283.06122	1.7
284.03220	8.5
285.03906	3.9
295.06110	2.1
297.03946	12.5
297.07547	5.5
298.04773	7.6
299.05533	20.6
309.04001	1.9
309.07523	1.2
311.05582	5.1
323.05460	1.6
325.03601	1.1
325.06982	1.9
327.05057	100.0
328.05560	6.2
337.07166	1.5
339.04938	2.6
353.06656	11.0
357.06143	17.1
365.06558	1.8
369.06104	2.5
383.07687	7.5
393.06024	1.6
395.07535	1.2
413.08496	2.5
429.07907	3.5
443.09576	3.8
443.26956	1.0
447.09299	2.0
473.10657	2.5
489.10324	39.7
490.10556	2.5
490.45972	1.0
533.12793	35.9
534.13306	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	531.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
57.40780	0.8
59.01380	44.7
61.98810	1.1
69.03461	1.2
71.01388	3.5
71.58143	0.8
73.02970	0.9
75.49372	0.9
81.06587	0.7
83.04987	0.8
84.15031	0.8
85.02954	1.3
89.02440	1.8
93.03448	2.6
95.04988	0.9
96.95995	2.0
97.02948	5.2
97.06601	1.5
99.00858	1.2
101.02412	1.6
111.08080	1.1
113.02449	3.4
125.09730	1.3
134.01053	0.8
137.02434	2.6
137.09711	1.4
160.84113	1.0
163.11313	1.5
165.12799	4.1
171.10234	3.9
179.14323	1.6
181.12352	1.0
185.11691	0.9
193.12332	2.8
209.11800	2.4
209.97275	0.9
211.13354	2.0
216.22050	1.0
221.11824	1.1
223.13388	1.2
227.12863	2.4
244.74417	0.8
247.20688	2.9
273.18665	1.7
291.19623	25.9
309.20685	100.0
310.21094	4.9
333.20642	3.3
496.56906	0.8
531.11182	1.5
531.31842	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1143
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
51.17229	0.5
55.43963	0.5
69.40993	4.8
71.01366	3.5
71.49523	0.7
73.02913	0.9
83.01421	0.7
85.02928	0.8
87.00860	0.7
89.02431	1.2
89.71867	0.6
93.03449	0.9
96.04274	0.6
96.96011	7.5
101.02421	1.8
113.02433	2.0
117.03448	4.1
133.02898	0.8
135.04486	0.9
147.43652	0.6
161.02419	2.7
161.04495	1.1
165.01837	0.7
175.03970	1.2
177.01929	1.9
189.01836	0.9
203.03438	1.2
204.00591	1.3
205.01418	1.4
207.03011	0.7
223.07365	1.1
231.03015	0.9
237.05446	0.7
239.07140	1.0
249.03816	1.2
251.07104	2.8
253.04913	0.8
263.07013	1.1
264.04196	1.2
265.05017	1.2
266.05789	0.8
267.06561	3.0
277.04965	1.7
278.05728	2.2
279.06534	1.9
281.04486	1.9
283.06351	1.1
291.06750	0.8
293.04449	2.5
293.07968	1.1
294.05246	2.0
294.58417	0.7
295.06091	12.5
296.06717	0.8
305.04614	0.7
306.05386	1.5
307.06094	4.5
308.03363	3.2
309.04050	1.6
309.07550	1.4
321.04050	1.3
322.04779	7.2
323.05588	8.0
324.05701	1.0
325.07300	1.2
335.05511	1.2
337.07126	3.4
349.07260	1.5
351.05075	53.9
352.05286	3.4
353.06519	1.2
363.05075	3.0
381.06152	24.6
382.06360	1.1
383.07593	3.0
393.06100	2.5
411.02084	1.3
411.07193	20.4
412.07312	1.0
423.06824	0.9
427.10193	1.0
441.08270	7.2
471.09393	6.3
503.12027	4.9
513.10376	2.2
531.11395	100.0
532.11969	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	530.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66961	0.4
57.52674	0.3
61.98830	3.1
68.12267	0.4
70.45469	1.1
75.42487	0.4
75.48983	0.4
78.95896	16.8
80.55264	0.4
88.49176	0.4
94.20650	0.4
122.77236	0.4
152.99568	2.9
168.04317	2.4
173.34848	0.3
224.06908	7.5
242.07979	1.7
242.37614	0.4
255.23265	100.0
256.23611	4.2
277.21750	1.5
445.23196	0.5
480.30905	74.7
481.31277	4.2
530.21271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61036	0.5
59.01379	8.7
61.98805	1.6
63.73832	0.6
69.56211	3.9
71.01381	5.5
85.02934	1.2
89.02440	5.0
96.96030	3.0
101.02425	5.5
111.85255	0.6
113.02428	2.5
119.03474	1.4
121.10231	1.5
130.81749	0.6
143.03455	1.5
161.04565	3.1
171.10271	4.0
179.05630	1.5
179.10945	0.6
195.13885	6.9
196.14517	0.7
211.13351	2.5
223.13358	6.0
228.13660	1.0
229.14410	0.7
253.09261	28.9
254.09695	0.9
256.13126	1.4
275.20120	7.9
291.19598	0.9
292.20004	0.7
293.21207	100.0
294.21500	4.6
300.89661	0.6
315.92279	0.7
447.13870	0.7
492.22195	1.1
516.22839	0.5
529.29932	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01376	100.0
60.01699	0.5
60.99315	0.6
61.98816	1.1
67.15267	0.4
69.03443	0.9
71.01379	14.3
71.07748	0.5
71.55827	0.6
73.02941	6.6
75.00877	0.5
83.01389	3.4
85.02951	7.4
88.98824	4.2
89.02454	3.7
95.01380	0.7
96.96025	0.6
97.02982	1.5
99.00886	1.4
101.02448	9.3
109.02967	0.8
113.02460	4.6
118.51405	0.6
119.03573	1.3
125.02464	0.9
127.04113	0.9
131.03503	0.9
137.02495	0.5
143.03552	1.1
145.05086	1.0
148.05309	0.6
149.71185	0.5
155.03465	0.5
159.03040	0.6
161.04547	3.9
166.35588	0.5
175.07750	0.5
191.05063	0.9
193.06586	1.1
203.05675	1.3
208.05348	0.7
208.07558	0.9
209.06110	2.1
210.09218	1.8
218.06195	0.6
221.06218	0.9
224.72246	0.5
233.08310	1.9
236.07065	2.7
237.05573	2.9
238.05101	1.1
238.08849	1.7
250.05263	0.7
263.06314	0.8
264.06473	2.6
265.07574	1.3
265.83844	0.6
266.04700	1.8
266.08066	1.2
267.05560	0.9
276.06668	0.7
278.08099	0.8
281.06802	0.7
292.06174	5.1
292.09332	0.8
293.06863	2.4
294.07721	9.0
295.08282	0.8
310.07330	0.9
311.08276	0.6
325.09607	1.2
326.10318	9.0
338.10565	1.5
350.10397	0.7
369.13589	1.5
380.11520	1.9
440.14359	0.9
456.13013	1.2
470.14630	5.5
471.14841	0.6
488.15582	19.8
489.16266	1.1
498.14182	1.3
530.16626	10.5
530.24664	0.9
531.18243	1.6
531.28448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
58.00591	0.4
59.01375	7.9
60.90897	0.3
61.98817	1.3
69.57309	0.3
69.88698	1.5
71.01382	5.4
72.99300	0.5
73.02930	1.0
83.01381	0.6
85.02950	1.3
85.63869	0.3
87.00862	0.8
89.02441	5.2
95.01409	0.5
96.95997	1.8
98.20544	0.5
101.02441	5.7
111.08144	0.5
113.02464	2.7
113.09665	0.4
119.03478	1.5
131.03476	0.3
139.85654	0.4
143.03468	0.9
149.04536	0.3
161.04535	2.8
179.05592	1.3
179.14406	1.0
181.12338	0.4
183.13863	0.5
195.13873	8.7
196.14333	0.6
196.65436	0.3
205.12260	0.7
207.10292	0.4
211.13387	2.6
220.18422	0.3
223.13380	6.2
225.11282	0.5
228.13605	0.6
231.21230	0.5
253.09267	31.1
254.09570	0.8
256.13190	1.4
275.20142	5.3
293.21204	100.0
294.21518	4.6
492.22113	0.7
529.29236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11835	0.2
59.01374	4.5
61.98806	0.6
67.22786	0.2
68.02798	0.3
69.41393	1.8
71.01376	2.4
72.99287	0.7
73.02934	1.1
75.00867	3.1
78.95895	0.5
79.95729	2.9
83.01381	0.4
85.02943	0.9
87.00894	0.3
89.02441	0.8
96.96005	100.0
97.02948	0.2
98.19888	0.4
98.99098	0.2
99.00892	0.5
101.02434	1.6
105.01915	1.4
113.02468	1.2
114.93370	0.3
118.42846	0.2
125.02419	0.3
135.02992	12.5
143.03493	0.3
148.05278	1.6
149.02365	0.4
161.04608	0.4
163.06369	0.3
163.07639	1.6
192.05516	0.2
206.05827	0.3
223.06056	0.3
265.07050	1.1
307.19205	0.4
325.01389	0.2
431.19141	0.5
529.19421	0.6
529.26385	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	529.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.5
60.50476	0.7
61.98829	1.9
64.91763	0.6
71.01382	13.5
72.99309	1.4
73.02944	3.7
75.00887	0.7
79.95737	1.0
83.01395	2.4
85.02962	2.8
89.02441	5.0
93.03422	1.3
95.01387	1.4
96.96009	52.6
99.00875	1.2
101.02451	6.7
109.03007	0.8
111.00947	0.8
113.02472	4.2
113.06110	1.0
115.82912	0.6
119.03503	2.6
121.02926	4.5
123.04530	1.0
132.02203	1.2
133.03008	0.9
134.03751	2.1
135.03012	1.6
135.04530	3.0
145.02994	1.0
147.04512	3.4
148.23242	0.7
149.02437	38.1
150.03133	1.1
152.01137	1.3
161.04601	0.8
162.03246	1.4
163.04013	12.2
164.04791	31.5
165.01855	0.8
165.05579	4.6
166.02687	1.3
173.02449	4.6
174.01762	0.7
175.00368	2.8
176.01091	1.3
177.02005	0.7
177.05559	3.6
178.06337	3.0
179.03537	2.1
179.07126	7.3
181.05042	2.3
183.06677	1.1
188.04752	2.8
190.02718	12.1
191.03482	15.6
191.77937	0.8
192.04102	0.8
193.01346	2.1
193.05069	1.3
193.08653	1.2
199.32478	0.6
203.07071	4.5
204.04315	1.4
205.05045	18.6
206.05827	31.3
207.03017	11.8
207.06332	1.7
208.03760	8.0
221.08174	35.9
222.05362	3.4
222.08635	0.9
223.06107	56.4
224.06438	1.6
235.02448	4.0
237.07675	14.6
241.32692	0.7
247.06131	1.1
250.02391	1.3
250.04802	12.0
251.05492	0.8
256.40765	0.6
265.07166	100.0
266.07596	2.4
295.08224	15.0
307.19110	0.7
323.09595	1.1
323.13452	22.5
325.09250	18.1
325.14587	1.3
385.11417	2.2
396.07083	0.7
469.24106	0.9
529.19250	82.5
529.25824	3.6
530.19653	6.1
537.27100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.3
59.01379	24.9
61.98815	1.1
69.32881	0.3
69.42105	0.6
69.42493	2.3
71.01369	1.6
73.02943	1.4
75.00862	0.4
81.03483	0.4
83.01383	1.0
83.04964	0.4
85.02949	0.7
89.02434	0.4
93.03461	0.6
94.00506	0.3
96.96002	4.8
101.02438	1.2
107.01369	1.3
109.02963	0.5
111.00878	0.3
113.02418	1.3
113.48160	0.3
117.03459	3.1
120.01209	0.4
121.02952	0.6
125.02443	0.9
136.05318	0.4
137.02429	0.4
149.02422	1.9
149.19641	0.3
149.99518	0.3
151.00351	2.9
151.07654	1.1
159.04492	0.6
161.02466	0.8
163.00418	0.4
171.04561	0.7
172.05304	0.4
175.11328	0.3
177.01851	0.3
179.10718	0.4
183.04460	0.4
195.04433	0.3
196.05350	0.3
200.04727	0.5
203.10748	0.4
205.08635	0.8
209.11893	0.8
211.03955	1.0
212.04825	0.3
219.10162	0.4
225.05605	0.7
227.03595	0.5
239.03441	1.9
240.04283	2.6
247.09744	4.8
253.05064	0.8
263.16806	0.4
267.02997	0.9
268.03748	66.1
269.04510	22.3
269.07596	0.4
270.04846	0.8
277.10785	0.7
281.04535	23.3
282.04953	0.7
293.04474	0.7
295.05905	0.7
311.05707	0.8
325.14493	1.6
329.23358	0.3
337.07169	0.6
353.06638	34.2
354.07022	1.3
365.06635	1.4
367.13889	1.2
409.12744	1.0
425.08755	100.0
426.09045	5.0
427.06729	0.7
467.33905	0.5
469.01703	0.5
469.07755	5.5
485.24176	2.1
485.34845	1.0
487.09042	0.9
528.36212	1.6
529.25531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	22.6
61.98818	1.0
63.02385	1.4
65.00321	1.3
69.59779	1.3
69.60206	1.5
71.01378	2.0
73.02944	0.7
83.01385	1.5
85.02958	0.7
89.02462	1.0
89.07562	0.4
93.03474	0.6
95.05013	0.4
96.96011	3.9
99.00815	0.4
101.02436	0.7
107.01383	2.7
112.98808	1.2
113.02453	0.8
117.03456	7.2
119.03477	0.8
121.02988	0.4
125.02461	0.6
137.02527	0.5
142.99834	1.5
144.71222	0.5
149.02438	5.9
151.00366	6.9
158.68755	0.5
159.04559	1.2
161.02477	0.6
171.04495	0.9
173.00868	1.2
174.01726	1.2
175.03973	0.5
179.05624	0.5
181.06544	0.5
183.04491	1.5
195.04445	0.5
196.05312	1.4
201.05527	1.2
211.03983	1.6
211.13432	0.8
212.04709	0.8
222.64966	0.5
224.04665	0.8
225.05562	2.0
227.03450	1.0
239.03549	2.2
240.04297	3.0
267.03036	1.6
268.03745	69.6
269.04517	62.0
269.07623	0.8
270.04959	2.0
281.04507	3.1
293.04562	1.1
297.04016	8.9
297.11697	0.7
308.03244	1.4
309.07642	3.8
311.05667	2.2
321.04156	0.6
321.07904	0.6
337.07111	4.3
341.15881	0.6
365.02344	0.9
365.06638	13.4
366.06992	1.0
425.08740	100.0
426.09027	5.4
528.36108	0.5
529.26416	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	527.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03449	0.7
59.01376	100.0
60.01722	0.9
61.98828	1.2
71.01379	12.0
73.02930	4.3
75.00882	0.4
78.42004	0.4
82.78572	0.4
83.01417	1.2
85.02944	5.7
87.00898	1.1
87.04543	1.0
89.02421	2.4
95.01405	1.7
96.96014	0.5
99.00902	1.4
101.02443	5.7
107.81174	0.4
113.02443	8.2
119.03538	0.6
129.01974	1.1
130.48631	0.4
132.97113	0.4
143.03590	1.1
161.04562	4.3
209.12027	0.6
225.11420	0.6
243.12279	0.5
323.26166	1.2
355.57214	0.4
391.99292	0.5
467.30072	16.0
468.30521	0.9
485.31107	10.3
486.31674	0.9
511.26135	0.5
527.26807	0.9
527.77191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
59.01366	0.9
61.52185	0.1
69.58940	0.7
69.59356	0.4
69.90913	0.2
71.01372	0.4
73.02951	0.2
79.63898	0.2
79.95733	2.6
96.96003	100.0
99.04473	0.3
101.02447	0.2
113.02444	0.2
132.14177	0.2
134.03670	0.2
311.05499	0.4
403.71350	0.2
415.05524	0.2
431.09729	0.4
529.19910	0.3
550.43970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77894	1.1
56.06779	1.2
57.03432	2.6
59.01382	11.0
66.32113	1.2
67.64268	1.3
69.20340	3.1
69.20747	11.1
71.01382	14.7
71.04066	1.2
72.99300	4.5
75.00865	12.9
85.02944	19.5
87.00867	3.9
89.02441	4.1
95.01378	5.3
99.00867	8.5
103.00384	2.9
113.02441	25.1
115.00426	1.8
117.01914	2.7
149.04453	1.3
155.03830	1.4
168.14790	1.4
175.02451	3.6
183.95197	1.2
205.07199	2.0
249.06097	5.9
267.07224	6.3
277.21698	47.5
393.95544	1.3
395.58176	1.4
509.27130	1.9
527.28595	100.0
528.29102	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	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01780	1.3
57.03441	3.2
59.01379	25.8
61.98819	2.0
67.62255	1.2
69.03478	1.5
71.01381	5.3
71.05011	3.6
71.30830	1.0
71.55795	1.2
74.43695	1.2
83.01370	1.5
85.02939	3.3
89.02439	2.6
95.05033	1.5
97.02928	4.2
97.06582	3.9
99.00874	23.2
101.02445	3.0
109.06600	1.9
113.02428	4.0
123.08168	2.1
123.78462	1.1
125.09711	10.8
129.01894	2.5
163.11320	9.1
165.12811	8.1
181.12329	23.0
181.13850	1.1
183.13887	57.0
183.35649	1.2
184.14252	1.7
195.59419	1.3
199.13350	7.2
207.10239	27.6
225.11295	49.5
227.12914	12.5
243.12341	29.9
299.15073	3.8
301.16449	9.6
317.15970	15.9
467.29935	2.4
483.29935	2.7
485.30939	2.2
509.27719	5.8
511.25699	1.9
511.75925	2.1
527.28540	100.0
528.29126	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	527.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76252	42.6
70.76579	100.0
71.20391	41.9
73.37920	42.5
84.50637	35.5
84.90791	37.6
85.63670	45.9
95.83720	45.8
112.52077	37.7
124.34309	46.3
159.02541	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	527.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86452	0.1
59.01383	1.0
59.97650	0.1
61.98857	0.2
63.56170	0.1
65.04001	0.3
69.85136	0.8
69.85501	0.3
71.01405	0.2
91.01951	0.2
93.03467	0.2
98.20594	0.3
107.05034	0.3
108.02177	1.4
109.02935	1.4
109.06602	0.5
117.03468	0.3
121.02135	0.3
121.02956	3.0
122.03775	0.3
123.04547	0.5
124.04881	0.2
133.02954	6.7
135.04546	0.3
145.02945	2.3
146.03735	0.9
147.04535	0.3
153.05583	0.4
157.02951	0.4
157.10170	0.1
158.03691	0.2
175.07652	0.4
177.09174	1.2
183.04578	0.3
183.94931	0.2
185.06087	0.3
186.06830	0.2
189.09157	0.8
195.04604	0.2
196.05417	0.2
197.06079	0.6
199.07632	0.4
201.09158	0.8
207.08188	0.3
208.05385	0.3
209.06087	0.7
210.06767	0.2
211.04103	0.2
211.07642	0.3
213.05678	0.2
221.05951	0.2
222.06834	0.2
223.07669	1.6
224.04703	0.3
224.08441	0.4
225.05525	0.9
226.06369	0.2
233.76306	0.2
235.07573	1.1
236.08368	0.2
237.05490	0.9
238.06358	0.3
239.07141	2.1
240.07889	0.2
249.05667	0.3
250.06297	0.3
251.07170	1.0
252.04268	2.4
253.05034	2.4
253.12302	0.2
254.05811	2.9
254.08365	0.2
255.06456	0.4
261.05600	0.3
263.10629	0.4
264.04214	1.4
265.04984	1.7
266.05658	0.3
267.06592	14.2
268.07327	4.8
274.75684	0.2
277.05127	0.4
277.12225	0.2
279.06607	11.0
279.13815	0.8
280.07309	2.7
281.11905	0.2
292.07239	0.2
293.08130	0.2
295.13376	0.2
298.46674	0.1
300.06329	1.0
305.11716	0.9
307.09726	1.2
308.10522	2.6
313.94809	0.2
321.11264	0.7
322.12070	19.4
323.12842	100.0
324.13205	5.3
345.46570	0.2
467.17297	0.3
521.33728	0.2
527.19067	7.2
528.19330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34695	0.2
56.39720	0.1
59.01376	1.8
60.01702	0.2
63.38262	0.2
65.03966	0.4
71.01386	0.4
71.56428	0.2
80.02679	0.2
82.39437	0.2
82.52142	0.2
93.03458	0.2
95.05034	0.3
104.22018	0.1
107.04997	0.7
108.02166	2.0
109.02952	2.2
109.06611	0.6
117.03484	0.2
121.02962	2.4
122.03761	0.3
123.04505	0.8
133.02950	7.9
135.04521	0.3
145.02968	1.1
146.03706	0.9
147.04491	0.4
169.06537	0.2
173.06044	0.2
175.07626	0.3
177.09183	1.6
185.06091	0.5
186.06895	0.3
189.09196	3.2
196.05377	0.2
197.06013	0.2
198.06795	0.2
201.09206	2.3
202.36417	0.2
209.06035	0.8
210.06778	0.4
211.03963	0.7
213.05522	0.2
213.09222	0.3
221.06027	0.3
222.06987	0.2
223.07611	0.9
224.04805	0.2
224.08418	0.2
225.05559	1.4
226.06293	0.5
235.07584	0.3
235.14798	0.2
236.08350	0.4
237.05559	0.5
238.06316	0.3
239.03438	0.5
239.07162	0.4
240.07979	0.4
249.94853	0.2
252.04311	0.5
253.05032	3.3
253.12369	0.4
254.03128	0.3
254.05820	6.2
255.06375	0.3
255.13869	0.2
263.10785	0.3
264.11496	0.2
265.05066	2.6
266.05533	0.2
267.06573	2.0
268.07410	1.5
279.06662	0.9
279.13882	1.9
280.07462	2.0
281.11835	0.9
283.06009	0.2
293.08145	0.2
295.13400	0.4
300.06540	0.2
305.11868	0.8
308.10510	5.8
309.10779	0.3
311.05435	0.3
321.11426	0.5
323.12851	100.0
324.13181	5.6
335.47842	0.2
413.08850	0.2
502.10651	0.2
520.52686	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98834	1.3
63.96234	0.5
67.19755	0.3
69.03427	0.7
69.27374	3.0
71.01374	6.3
73.02936	1.8
73.84110	0.3
78.56759	0.3
78.95908	0.4
78.98589	4.1
79.95728	8.6
80.96514	51.1
81.03407	0.7
83.01380	0.5
85.02943	2.9
86.46914	0.3
87.00880	2.3
89.02418	0.4
94.98087	12.6
96.96017	2.6
97.02948	1.2
98.19837	0.6
99.00872	0.9
99.04462	0.5
101.02431	2.8
105.01922	0.7
106.98082	3.0
122.97568	3.0
125.02444	2.5
127.04018	0.7
134.97571	4.1
136.99132	1.4
148.99139	4.4
152.98624	5.0
164.98619	10.7
165.12819	0.6
183.13843	5.2
185.74092	0.3
193.01305	0.4
206.99669	2.5
225.00725	17.4
227.12848	0.5
236.65091	0.3
263.82547	0.3
299.04333	2.1
301.16650	0.5
483.19083	0.7
509.16980	0.5
527.17999	100.0
528.18213	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	527.18
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01377	2.3
61.98822	1.1
63.96239	0.9
69.03463	0.5
69.29314	2.6
71.01379	5.7
72.47809	0.2
73.02972	1.6
78.98586	4.1
79.95731	6.6
80.96515	48.7
81.03452	1.1
83.01410	0.6
85.02944	2.1
87.00885	1.7
94.98081	11.3
95.01396	0.4
96.95992	2.2
97.02950	0.9
99.00860	0.3
99.04539	0.3
101.02451	2.3
106.98103	2.6
113.02438	0.3
121.47812	0.3
122.97585	4.5
125.02438	2.3
127.03990	0.6
134.97586	3.7
136.99174	1.5
137.02361	0.4
146.97600	0.5
148.99139	4.7
152.98636	5.7
161.04616	0.4
164.24030	0.3
164.98616	9.7
165.12871	0.8
167.00145	0.3
182.99692	1.7
183.13881	4.1
206.99701	3.1
210.05017	0.3
225.00726	19.9
226.01059	0.5
227.12975	0.6
243.01785	1.8
275.05530	1.0
299.04425	2.7
305.06494	0.4
311.05774	0.5
313.75079	0.3
315.59964	0.3
317.05698	0.4
323.12830	0.5
365.08771	0.5
437.08777	0.3
483.19397	0.8
527.18030	100.0
528.18359	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	526.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.0
59.01378	27.6
61.98827	0.9
68.99880	0.6
70.34119	1.5
70.34475	1.0
71.01373	15.9
72.99300	1.3
73.02966	0.6
85.02934	2.7
87.00884	0.9
89.02437	20.4
89.03005	1.0
93.03426	1.8
95.01388	0.8
96.96004	1.7
98.19875	0.7
101.02439	12.4
104.05049	1.2
113.02444	6.6
119.03499	8.8
121.02945	16.0
122.03827	0.6
123.04517	1.1
131.03453	0.7
143.03476	1.0
148.04047	12.0
149.04507	1.1
150.05632	1.4
166.05112	5.3
179.05598	1.0
210.04021	3.9
215.98363	0.7
328.10339	100.0
329.10712	3.9
387.09860	0.6
444.57803	0.7
490.15576	8.6
491.15753	0.9
499.41229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62651	0.4
56.99185	0.5
57.03438	0.6
57.88096	0.5
59.01377	14.4
61.98829	1.6
69.03478	0.6
69.66831	3.2
71.01379	4.1
73.02956	3.3
83.01360	0.7
85.02946	1.2
89.02449	1.6
93.03426	0.8
95.01404	0.6
95.05014	1.9
101.02440	3.1
106.64973	0.6
111.08160	1.4
113.02457	1.8
119.03497	0.7
119.12357	0.5
119.45934	0.5
121.02946	0.8
122.03772	1.2
123.04520	100.0
124.04855	1.3
153.05568	91.0
154.05908	2.0
161.04539	0.7
165.12854	6.7
183.13902	20.6
184.14211	0.7
189.12791	0.8
197.15472	0.7
203.14380	1.4
205.12459	0.5
207.13828	2.5
209.11856	1.2
219.13885	0.6
221.15439	2.7
227.12871	9.9
228.13264	0.5
231.13943	1.7
233.11850	3.3
237.14857	0.7
249.14980	1.9
251.12854	6.9
265.14404	4.6
269.13840	0.9
275.12842	3.5
293.13928	21.3
294.14377	0.8
311.15067	1.5
314.33423	0.5
315.10693	1.1
335.14844	0.8
350.94681	0.5
353.15973	1.3
371.17102	12.7
423.82324	0.7
507.22363	1.0
525.23370	58.0
526.23822	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	525.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
61.98826	100.0
66.91885	0.3
69.89117	1.6
71.01395	0.5
73.73826	0.3
87.03163	0.3
96.96025	0.9
98.19884	0.4
115.81591	0.3
120.01240	0.3
140.65768	0.3
146.76167	0.3
162.05600	3.0
165.05551	0.4
204.29390	0.3
300.12357	3.1
300.15039	0.3
301.12552	0.3
377.41226	0.3
462.17630	1.2
473.38037	0.3
525.29596	0.6
542.75653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.4
61.98829	65.8
70.21555	3.8
70.72895	1.0
71.01381	3.5
73.02967	1.3
75.00870	1.4
85.02962	1.9
85.49023	1.1
88.98800	1.6
96.96030	4.7
111.35891	1.0
113.02428	1.3
133.02904	1.2
149.02461	1.9
165.01978	1.3
165.05559	1.1
179.03387	0.9
193.81816	1.2
227.33858	1.2
239.11275	1.1
284.03192	1.6
285.04022	4.3
297.04016	12.6
298.04803	88.4
299.05243	3.8
308.03189	1.5
309.03943	2.3
311.05396	1.8
313.07025	4.7
326.04263	3.8
330.03983	2.1
341.06631	87.1
342.06998	3.4
353.06616	1.4
361.16690	1.8
362.16959	2.1
371.07642	4.8
461.10901	100.0
462.11087	5.0
523.21277	1.5
524.21539	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2182
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.19957	0.3
59.01371	0.9
69.18710	0.4
69.19044	3.7
69.76389	0.4
71.01369	1.0
84.37018	0.3
88.98779	0.5
93.03449	1.1
97.53350	0.4
101.02437	0.4
108.02155	0.7
109.02950	4.3
111.04496	0.7
113.02470	0.4
116.93499	0.4
119.04995	1.6
121.02950	11.1
122.03743	10.7
123.04563	1.7
124.01649	0.8
129.03464	0.9
134.03716	0.9
135.04491	1.7
136.05310	1.0
137.02425	1.9
139.20110	0.4
146.03691	0.7
147.04498	5.0
148.05243	0.6
149.04541	0.4
149.06105	1.0
154.02708	1.6
161.06029	1.8
163.04031	1.5
165.05556	22.1
166.05959	0.5
168.04266	0.5
178.06303	0.8
179.07118	8.2
191.07132	0.4
208.07390	0.4
209.08203	0.6
223.09776	1.0
298.12152	0.7
313.14505	1.0
315.12360	2.1
316.12921	0.5
317.14166	0.4
345.13062	0.5
346.14191	8.7
361.16537	100.0
362.16843	5.8
523.14435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03436	1.9
58.00589	1.1
59.01376	31.2
61.98825	6.7
64.53972	0.5
69.39870	1.3
69.40286	3.8
71.01377	20.1
72.99298	2.6
73.02933	3.9
75.00857	1.4
79.44205	0.5
83.01385	1.8
85.02957	4.6
87.00880	2.0
89.02438	18.4
93.03490	0.9
95.01389	1.1
99.00884	0.7
101.02441	14.1
109.02966	0.8
111.08163	1.8
113.02441	7.6
119.03481	6.7
122.03749	1.8
122.06095	1.3
122.80413	0.7
123.04518	0.7
125.02411	0.7
131.03513	1.2
137.02434	0.9
143.03461	1.3
145.03026	0.6
149.04532	0.7
150.03264	0.7
151.06116	7.2
151.67546	0.6
152.07159	11.2
161.04558	2.4
163.03880	0.6
165.04030	0.8
165.12839	13.3
166.13231	0.7
179.05620	4.5
183.13882	35.7
184.14171	1.1
197.15459	14.3
207.13890	3.1
209.11815	2.7
225.14983	2.3
227.12877	16.6
228.13220	1.1
251.12943	1.8
269.13913	1.6
273.70636	0.6
283.10822	2.1
293.13925	1.1
295.10547	1.7
301.10892	1.3
313.11346	16.2
314.12213	0.9
329.16113	0.8
375.27469	2.4
422.34299	0.6
492.17569	0.8
505.23367	0.7
522.34131	0.7
523.23944	100.0
523.34076	7.0
524.20154	5.6
524.25043	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	523.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.1
57.03435	0.8
59.01378	16.3
60.01344	0.2
60.01698	0.4
61.98823	3.0
66.72012	0.3
70.42108	0.3
71.01379	5.6
71.56672	0.4
72.01720	0.4
72.99315	1.6
73.02946	2.0
75.00867	40.9
78.68808	0.3
83.01386	1.2
85.02941	2.6
86.00085	0.3
87.00874	0.6
88.98827	0.3
89.02424	1.5
93.03448	0.2
95.01373	0.3
96.96003	0.5
97.06582	0.3
99.00877	0.8
99.08253	0.3
101.02437	4.6
102.02731	0.3
103.00369	0.8
111.00851	0.4
113.02437	1.8
117.01949	0.9
129.01941	8.2
141.40190	0.3
147.03001	2.4
151.07568	0.3
161.04541	0.8
165.04027	100.0
166.04369	1.4
171.13795	0.3
189.03996	0.2
233.24219	0.2
289.16589	0.8
295.06064	0.8
317.04431	0.4
331.17609	0.9
361.29544	1.1
376.24323	0.4
397.09360	0.6
406.25095	0.3
431.26468	0.3
437.07535	0.5
449.21750	0.4
449.27359	0.5
522.33783	3.0
523.20264	3.7
523.34595	11.3
524.20795	0.5
524.35175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1392
Annotation	Pityriarubin B
Peak:m/z	Relative Intensity
59.01377	0.4
61.25430	0.3
61.98806	0.9
65.03955	0.7
67.01892	0.4
69.23001	2.8
89.29305	0.3
98.19913	0.5
108.01463	0.5
108.02164	8.2
109.02945	15.6
121.02925	1.2
123.03619	0.6
123.04514	9.8
135.00858	0.4
137.02443	1.2
151.03915	0.5
160.47884	0.3
288.04364	1.4
298.06403	0.5
301.04987	1.8
302.05762	1.2
303.06573	2.2
304.07202	0.8
308.49237	0.3
312.04260	0.5
313.04990	0.9
314.05786	0.5
317.08020	1.6
325.05042	0.6
326.05652	0.4
339.06741	0.3
341.04449	2.7
341.08063	0.5
342.05005	1.0
342.08765	0.3
343.05978	0.6
351.06412	0.5
354.05243	0.4
355.05768	0.3
356.06790	1.6
357.07538	0.7
364.07254	1.2
365.08127	0.4
366.09048	0.7
368.06870	0.5
369.03775	1.6
370.04755	1.1
371.09277	1.7
372.06290	0.5
377.08084	0.7
381.07376	0.7
382.08411	0.7
383.05341	0.5
384.06299	2.3
385.07050	1.2
389.08203	0.7
391.05957	0.7
392.06808	1.2
395.05630	0.6
397.10852	1.1
399.08624	1.7
405.07336	0.7
406.08328	1.0
407.09381	1.4
408.06046	0.5
409.07355	0.7
410.07877	2.4
421.10736	0.8
423.08752	1.1
425.10257	9.3
426.10620	0.5
433.06647	0.6
434.07803	1.5
439.11877	0.6
440.12573	3.5
449.10367	3.8
450.07333	0.4
451.07977	0.9
455.14963	1.3
464.12396	0.7
465.09897	2.7
466.10416	0.7
493.09262	4.6
508.11575	17.1
509.11963	1.3
523.13910	100.0
524.14258	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	522.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	34.4
60.01702	0.4
60.45233	0.3
61.98827	100.0
70.31087	1.5
71.01380	3.3
73.02950	1.0
85.02957	1.1
89.02463	1.7
101.02445	3.0
113.02460	1.7
119.03515	1.1
161.04536	0.9
182.85588	0.4
210.44115	0.4
211.16846	0.4
220.71982	0.5
224.81038	0.4
243.22623	0.4
254.95863	0.4
306.28723	0.4
355.21182	1.9
373.22299	4.1
380.34821	0.4
415.23398	8.2
459.22083	0.5
462.31403	0.6
522.33612	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.9
61.98827	100.0
63.99240	0.4
70.95109	0.7
71.01381	4.8
72.99313	0.4
73.02946	5.9
77.10298	0.3
83.01416	1.8
84.24715	0.4
85.02970	1.2
89.02443	1.5
101.02439	6.5
104.62194	0.3
113.02457	2.7
119.03488	0.7
123.04512	7.0
124.04842	2.7
131.03482	0.6
140.96260	0.3
143.03496	1.0
149.04561	1.3
153.05573	6.2
154.05884	2.8
161.04543	2.6
161.38196	0.3
164.04802	0.5
166.69652	0.4
175.00406	0.9
190.02696	2.1
191.03085	1.4
205.05014	2.4
206.05382	2.1
221.06693	1.0
223.06172	0.7
240.45166	0.3
298.65887	0.4
367.10471	2.5
368.10611	5.6
391.23349	0.4
397.33200	0.4
415.23022	0.4
461.39029	0.4
521.33850	1.1
522.16974	0.7
522.33911	1.6
523.34937	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	522.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21140	0.4
55.01872	0.7
55.55147	0.3
57.03467	0.5
57.27783	0.3
57.67419	0.4
59.01377	43.8
61.98826	100.0
71.01380	4.1
71.56963	0.6
72.99310	0.5
73.02940	1.8
75.00865	0.7
78.91898	0.4
79.26737	0.4
83.01400	0.8
85.02944	2.4
89.02438	0.8
99.00957	0.5
101.02419	2.4
113.02423	2.2
115.06529	0.4
119.03477	0.5
143.03549	0.4
161.04599	0.5
165.04001	0.6
305.78552	0.4
318.27203	0.4
373.22232	1.4
401.19434	0.4
415.23328	3.4
461.31244	1.6
462.31439	2.7
479.32224	1.1
480.32425	1.4
521.33258	1.2
522.34064	2.1
523.24023	0.6
523.34357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.8
55.08459	0.7
58.72446	0.6
59.01377	46.0
60.01732	0.8
61.98827	100.0
65.37724	0.6
69.80122	3.1
71.01372	5.6
73.02972	1.8
76.83856	0.7
83.01395	1.5
85.02950	2.5
89.02438	1.8
96.96073	0.8
99.00899	0.9
101.02438	4.3
107.88810	0.7
113.02442	3.0
113.37122	0.6
119.03519	1.0
161.04550	1.4
176.62303	0.7
182.57227	0.6
355.21286	1.0
373.22192	4.0
415.23328	7.9
461.31061	5.3
462.31555	10.8
479.32135	0.9
480.32626	2.2
521.33014	1.3
522.33508	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	522.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
61.56804	0.2
61.98827	100.0
71.02452	0.2
82.12733	0.2
96.96027	0.2
160.01720	0.4
164.07146	0.2
175.03999	0.4
192.35571	0.1
193.05005	0.2
206.08176	0.3
295.86749	0.2
298.12695	0.2
355.13110	0.2
356.13351	0.5
409.20035	0.2
431.14752	0.4
432.14935	1.6
459.15005	1.3
462.16238	0.2
522.18231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03442	1.3
59.01377	38.9
60.01700	0.4
61.98827	100.0
64.65603	0.3
69.93077	1.6
71.01382	8.3
72.01740	0.8
73.02943	4.0
75.00877	1.4
83.01393	2.4
83.01821	0.3
85.02945	4.4
87.00890	0.7
89.02462	1.4
93.07100	1.1
95.01379	1.0
96.96033	0.9
97.06608	0.4
99.00906	1.0
101.02447	8.5
102.02781	0.8
111.00900	0.9
113.02450	4.3
125.02414	0.3
127.37977	0.3
129.01927	0.5
159.03041	0.9
161.04509	2.0
165.04082	1.2
171.13940	1.2
172.14264	0.5
200.71638	0.4
211.09602	0.3
223.13379	1.8
257.17648	1.1
258.17996	0.9
333.19202	2.9
334.19641	2.0
359.28137	0.8
361.29410	0.5
373.21793	1.9
373.26389	1.8
374.22452	0.9
374.26559	2.1
415.23325	3.9
448.21570	1.1
462.31699	0.4
521.33398	10.8
522.33899	18.7
523.34821	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	521.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.0
57.03445	4.0
58.00588	0.8
59.01376	30.0
61.98829	17.5
61.99159	0.5
69.03449	0.6
71.01379	24.7
71.55879	0.6
72.99303	1.4
73.02944	9.1
74.34542	0.3
75.00871	1.0
75.84770	0.4
77.68941	0.4
77.98774	0.3
78.18324	0.3
81.03467	0.3
83.01375	5.1
83.05018	0.5
85.02946	12.1
86.00107	0.8
87.00878	1.5
87.04512	0.7
88.98820	1.1
89.02435	1.9
91.08341	0.3
93.07101	3.8
95.01373	2.0
96.96024	0.4
97.02957	0.9
97.06593	3.6
99.00864	4.4
101.02439	23.6
109.06612	1.3
111.00865	3.1
113.02440	10.4
119.03523	0.6
123.04501	0.5
125.02470	0.7
127.07638	0.4
129.01953	1.3
133.10239	0.7
137.02522	0.4
141.01907	0.5
141.12869	0.5
143.03528	1.0
147.02983	0.4
151.09897	0.3
159.02943	1.9
161.04556	5.5
171.13892	3.3
179.05673	0.3
183.13896	0.5
185.15446	0.4
195.13794	0.3
211.13396	0.7
211.17038	0.4
213.14897	0.8
223.13417	0.8
227.16478	0.8
229.18134	1.0
239.16380	0.4
241.04749	0.4
243.19728	1.5
257.17578	4.6
266.88504	0.4
333.19196	8.6
334.19363	0.7
342.42621	0.4
343.24738	0.6
347.20840	0.5
359.27917	4.3
373.22147	2.9
373.26071	8.0
374.26407	0.5
375.23825	2.3
377.28391	0.5
391.23309	1.6
399.23923	0.5
405.24878	3.9
415.23456	0.7
441.25320	0.8
461.31403	3.0
485.31787	0.7
491.32285	0.5
503.32370	2.5
521.33411	100.0
522.33734	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
59.01376	100.0
60.01715	1.0
61.98832	9.8
65.41449	0.8
69.22171	4.4
69.22593	3.6
71.01376	17.4
73.02943	10.0
83.01394	4.2
85.02932	5.9
88.98792	1.6
89.02460	2.7
93.03448	1.4
96.96016	1.5
97.02919	1.0
99.00864	2.0
101.02443	14.1
108.02193	1.1
111.00840	1.0
113.02429	7.8
119.03503	0.7
121.02962	1.0
123.04492	2.0
125.02448	1.0
137.02437	1.8
141.01704	1.8
143.03482	1.3
153.01842	1.1
159.02985	1.4
161.04539	3.3
161.09586	0.8
251.17876	0.9
255.10201	1.8
257.11880	3.7
269.04626	1.6
273.24228	1.6
299.09235	1.7
315.08887	1.3
317.09714	2.0
359.27921	2.4
404.97186	0.8
417.28531	17.9
435.29474	12.4
436.29608	1.0
439.23120	1.4
461.31055	2.5
479.32040	1.6
513.29266	0.9
521.17065	2.2
521.33344	23.5
522.33960	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	521.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27626	0.5
52.56469	0.5
55.01875	2.9
57.03448	5.0
58.00585	0.8
59.01377	91.1
60.99304	1.6
61.98828	3.4
64.68651	0.6
65.00329	0.8
69.03445	1.0
69.46262	3.4
71.01379	34.0
71.05019	0.5
72.73627	0.4
72.99319	2.1
73.02943	12.2
75.00869	1.9
81.03473	0.9
83.01389	8.6
83.05025	0.8
85.02949	20.1
85.03468	1.1
86.00101	0.9
87.00863	3.0
87.04490	0.6
88.98801	8.8
89.02442	6.2
92.31777	0.6
93.03547	0.5
93.07099	3.0
95.01381	4.6
97.02970	1.9
97.06606	0.6
98.19944	1.2
99.00873	5.8
99.04503	3.0
101.02438	28.6
105.58318	0.6
107.01429	1.4
108.02216	0.6
109.02909	0.8
109.06590	0.9
111.00880	3.1
113.02448	11.8
119.03487	3.0
119.05035	0.8
121.02982	1.5
121.20080	0.5
123.00941	0.7
124.01653	0.7
125.02460	3.0
129.01964	1.4
129.09308	0.6
135.04498	0.6
137.02483	1.3
143.03513	1.1
149.02464	1.6
150.03102	0.9
151.00389	2.3
151.04034	0.8
152.00681	0.7
159.03020	3.3
160.07678	0.5
161.04527	11.1
163.00301	0.6
165.01941	2.0
175.02538	1.3
175.03993	0.7
179.05661	0.8
189.12883	1.3
193.01389	8.5
194.01793	2.1
201.70192	0.5
207.13928	2.0
209.11774	5.7
211.02539	1.5
223.02559	1.5
224.02745	0.8
225.14923	5.2
227.12878	25.0
229.18057	7.5
249.14467	0.6
251.11235	6.4
269.13989	2.4
271.06140	0.9
273.06696	1.0
279.98193	0.6
282.54684	0.5
283.06046	1.8
284.03302	1.3
293.12354	2.8
299.05649	1.4
311.05594	4.3
312.05862	0.6
313.05731	1.7
317.10440	1.0
329.14194	1.2
341.20093	0.6
353.06891	0.9
359.27924	5.2
360.21481	0.6
373.26025	0.8
391.23331	8.4
410.03400	0.6
431.09799	3.7
443.22522	0.6
461.31476	1.0
477.23004	3.3
485.31525	0.8
491.32578	1.0
503.25089	10.0
503.32074	0.9
521.26147	100.0
521.33569	90.1
522.26483	7.5
522.33948	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	521.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.7
57.03445	4.2
58.00597	0.8
59.01375	97.5
60.01716	0.7
60.99303	1.3
61.98824	3.0
65.00321	1.0
67.49829	0.5
68.71784	0.4
69.03454	1.6
71.01379	28.0
71.56884	0.8
72.99317	2.3
73.02939	10.6
75.00877	2.0
81.03493	0.7
83.01378	6.2
83.05012	0.9
85.02944	16.4
85.06584	0.7
87.00887	2.3
87.04523	0.6
88.98803	8.1
89.02441	5.7
93.03460	0.9
93.07117	1.7
95.01387	2.2
96.18637	0.6
96.96035	0.8
97.02967	1.5
97.06600	0.7
99.00874	4.2
99.04508	2.6
99.61996	0.5
101.02439	24.1
107.01385	1.2
109.06613	1.2
111.00888	2.5
113.02444	12.2
119.03535	2.5
119.05051	0.8
121.02954	0.7
121.06624	0.8
125.02483	2.7
129.01955	0.7
137.02467	1.0
143.03499	1.1
149.02428	1.3
151.00386	1.8
151.04048	1.0
159.02924	2.7
161.04536	8.6
163.00388	0.6
165.01936	1.1
165.12798	0.9
167.03590	1.0
175.02544	0.9
175.03963	0.7
189.12808	0.6
193.01419	7.4
194.01793	2.0
206.71603	0.5
207.13947	2.5
209.11798	6.1
211.02463	0.9
223.02524	1.4
224.02774	0.8
225.14949	4.3
227.12863	25.9
228.13205	0.6
229.17984	5.3
242.64009	0.5
245.78976	0.6
251.11273	7.2
269.14059	2.3
273.06934	0.6
281.04639	0.6
283.06024	1.4
284.03360	1.1
287.15015	0.6
293.12405	3.1
297.07620	0.8
299.05737	0.8
311.05765	2.8
312.06009	0.7
313.05838	1.1
317.10297	0.6
353.06619	0.6
359.27911	4.6
373.25958	0.8
377.29230	0.6
391.23352	7.0
431.09949	2.3
477.23557	2.2
497.18729	0.5
503.24948	12.0
503.31503	0.9
504.24963	0.6
521.26239	100.0
521.33612	66.1
522.26648	6.9
522.34009	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	521.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83401	1.6
53.75485	2.0
57.03424	3.0
59.01379	36.6
60.99294	6.5
61.98851	2.1
65.03979	2.0
69.33196	12.0
69.33605	4.8
71.01379	17.9
72.99342	2.3
73.02940	26.8
83.01379	5.5
85.02972	3.1
88.98810	47.9
89.02404	4.7
91.01891	14.1
93.03451	4.7
98.19834	3.6
101.02437	13.1
109.02943	21.7
113.02473	7.8
116.72069	1.8
119.03538	2.2
119.05019	36.3
121.02952	14.1
121.54987	2.0
123.04508	4.4
125.02467	3.4
134.03700	10.1
135.00877	25.6
137.02419	3.9
148.01633	2.8
149.02431	63.0
149.06015	2.5
150.03226	8.0
151.00397	4.3
151.03943	6.5
153.01897	11.3
155.56709	2.0
161.04480	2.5
163.04097	1.9
165.01912	2.3
165.05534	9.1
167.03488	15.3
167.18924	2.0
178.02716	4.5
179.03464	2.4
193.05020	17.3
195.06628	4.7
252.06807	1.9
255.04018	4.3
255.06622	74.9
273.07559	6.6
284.03204	4.3
299.05557	6.5
311.05524	2.5
315.08020	1.8
329.13651	2.8
371.09857	26.9
389.12192	4.7
431.09811	6.1
477.13937	100.0
478.14178	5.6
521.12555	6.2
521.33344	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	521.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03553	0.7
59.01383	5.0
60.99302	14.5
69.53934	4.6
71.01375	0.9
75.38503	0.8
88.98802	100.0
89.60003	0.8
93.03455	2.2
94.47970	0.7
97.77085	0.7
109.02975	0.8
117.03470	1.6
121.02937	2.7
122.03793	1.4
123.04523	1.0
134.03728	7.2
135.04515	3.0
136.01645	1.1
137.02440	1.3
138.03180	3.1
143.80537	0.8
148.01720	1.5
149.02440	9.7
149.06076	1.2
150.03198	6.2
151.03996	3.3
153.05591	6.4
159.04466	0.9
161.02367	1.2
163.04022	4.7
165.05562	7.8
167.03496	3.1
177.01880	6.4
178.02693	13.5
189.42232	0.8
191.03506	1.1
193.05038	36.9
193.71602	0.9
195.02936	1.5
195.06686	4.8
196.92607	0.7
211.06000	1.2
224.04774	7.2
238.06285	1.9
239.07130	3.0
252.04224	3.4
253.05034	1.2
255.06654	1.2
263.16696	0.8
267.06589	10.7
269.08282	1.8
273.07727	2.1
283.06085	12.7
299.09326	1.5
311.05627	21.4
312.05896	1.8
317.10260	56.8
318.10629	2.7
323.05313	1.0
341.06442	3.4
341.10281	6.2
347.25220	0.9
389.12329	2.9
431.09750	32.8
432.09903	1.8
439.66019	0.9
477.13507	1.0
521.22284	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	521.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.6
61.98828	0.5
70.84827	0.6
71.01376	0.7
73.02937	0.7
80.02659	1.0
83.01416	0.2
85.02930	0.3
91.11600	0.2
96.95992	1.2
101.02462	0.7
108.02171	33.6
109.02512	0.3
122.03749	0.7
123.04526	22.2
124.04864	0.4
148.01714	0.3
151.03995	1.1
151.48143	0.3
152.01158	2.4
153.36592	0.3
156.22281	0.3
165.05534	0.4
167.03493	100.0
168.03842	1.9
179.03506	0.3
181.05069	4.5
209.04543	9.8
210.05092	0.3
239.05592	0.6
249.11028	0.7
251.58334	0.3
288.28613	0.3
306.89426	0.3
371.09811	2.2
520.31860	2.0
521.26611	0.8
521.33423	1.5
521.77478	0.4
524.34210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
61.98835	0.7
70.69469	0.9
78.95898	42.2
93.82832	0.3
96.96954	5.7
99.87526	0.3
149.46097	0.3
150.97989	2.1
152.99573	100.0
153.99910	1.2
171.00636	3.7
186.22464	0.3
255.62875	0.3
279.23315	1.3
287.62131	0.4
420.85510	0.3
433.23563	26.0
434.24063	1.1
487.70404	0.4
494.45560	0.4
520.26691	6.6
521.27332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58286	0.5
61.98824	100.0
69.19821	4.8
83.22971	0.4
90.47845	0.5
90.97129	0.5
91.08973	0.5
96.95993	0.7
126.71816	0.5
176.61397	0.5
190.05638	0.5
205.04405	0.5
370.24451	0.5
426.10349	0.5
469.83691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12898	0.3
57.03444	0.5
57.54802	0.3
58.81059	0.3
59.01378	31.8
60.01698	0.6
60.99297	0.4
61.98829	100.0
66.43665	0.3
71.01374	2.5
73.02946	1.0
83.01378	0.5
85.02959	1.0
85.94167	0.3
88.98801	2.3
89.02451	0.7
95.01351	0.3
98.20773	0.7
101.02446	1.6
105.22614	0.3
109.02966	0.7
113.02460	1.0
119.03488	0.4
135.19667	0.3
153.01965	0.7
161.04538	0.5
165.12875	0.7
191.14482	0.3
209.15468	0.4
316.09174	0.5
353.19525	0.4
371.20850	1.3
390.79016	0.4
413.21896	1.9
453.76605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	0.3
62.96380	0.2
69.20018	1.7
78.95898	46.1
79.01730	0.2
96.96957	6.2
98.20653	0.4
106.38116	0.2
129.41255	0.2
134.54172	0.2
136.52477	0.2
150.97993	1.5
152.99574	100.0
153.99933	0.8
171.00621	3.6
188.70532	0.2
240.02663	0.3
279.23306	1.2
433.23544	27.8
434.23788	1.6
475.31320	0.2
516.77264	0.2
520.26764	7.4
521.27258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
59.01372	25.9
61.98827	100.0
62.01340	0.5
69.52911	3.1
71.01377	2.1
73.02950	1.7
75.00858	0.6
81.03455	2.0
82.03832	0.7
83.01388	0.5
85.02976	0.5
89.02431	2.6
91.67041	0.5
95.05038	0.8
99.04538	1.6
100.04840	0.6
101.02438	2.5
113.02447	1.3
119.03500	1.0
123.04527	3.9
125.02438	3.4
126.02814	0.7
128.42490	0.5
128.64661	0.5
137.02446	0.9
139.04010	0.6
149.02391	0.7
153.05544	2.6
153.33372	0.5
161.04588	1.3
162.05614	1.8
167.03485	11.3
168.03819	4.7
190.02773	1.8
197.04582	1.9
198.04942	1.3
205.05057	1.3
276.37534	0.5
310.58865	0.5
312.46097	0.5
314.07617	1.8
330.54672	0.5
367.10333	2.3
383.66830	0.5
400.17444	0.5
413.21500	1.0
460.20062	2.3
460.61383	0.6
520.22052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01376	56.7
60.01709	0.4
61.98826	100.0
69.53824	1.6
69.54231	1.1
71.01372	4.7
72.99285	0.6
73.02957	3.3
74.71104	0.4
75.00862	3.6
78.95311	0.4
82.99238	0.4
83.01384	1.4
85.02948	2.1
87.00863	0.4
89.02444	1.7
99.00851	0.7
99.39579	0.4
101.02419	4.3
113.02432	2.5
119.03460	1.0
119.05022	0.8
135.02945	0.5
135.04469	0.6
151.00246	0.8
161.04538	2.5
161.57523	0.5
162.05597	6.9
165.01830	1.3
166.02269	0.6
171.79851	0.4
178.16731	0.4
196.52737	0.5
203.05489	0.5
209.15396	0.5
252.74161	0.4
271.05801	1.1
272.06442	2.0
353.19562	2.5
371.20496	3.4
382.16046	1.6
384.17758	1.1
400.17068	1.7
402.18878	0.6
413.21854	7.3
460.19794	4.7
476.12958	2.2
484.19214	0.5
520.20886	2.5
520.30994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01377	35.2
60.01702	0.7
61.98828	100.0
68.53442	0.4
71.01380	4.3
71.46746	0.4
73.02956	1.6
73.24727	0.4
75.00882	0.5
83.01405	0.6
85.02949	1.0
88.98807	1.0
89.02454	1.2
98.20619	0.8
101.02477	2.3
101.03033	0.4
113.02468	1.4
125.02461	0.7
151.04008	1.3
160.13464	0.4
161.04536	1.1
176.11928	0.4
250.41479	0.4
255.06546	0.5
269.07660	0.4
299.05511	0.7
311.85709	0.5
413.21783	1.3
419.19891	0.5
520.20184	0.6
520.27112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
59.01378	25.5
61.98828	100.0
66.92444	0.5
69.51602	2.7
71.01379	5.0
73.02940	8.3
75.00890	0.7
82.67467	0.5
83.01392	2.0
85.02940	2.1
87.00926	0.4
89.02465	1.5
101.02443	8.7
101.03091	0.5
113.02453	3.0
119.03525	1.4
123.04522	0.7
125.02441	0.8
131.03548	0.8
132.65770	0.5
143.03545	1.0
149.04558	1.4
153.05536	0.6
161.04532	2.5
162.05591	1.5
205.05020	0.5
221.06734	0.9
276.22400	0.5
367.10300	0.6
391.23438	0.7
460.19870	1.0
521.33215	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	519.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
58.35791	0.4
59.01377	100.0
60.01721	0.5
61.98829	8.3
67.39964	0.4
69.89334	1.5
69.89745	0.6
71.01377	4.9
73.02926	2.1
75.05980	0.4
83.01417	1.1
85.02950	2.2
87.00883	0.5
87.04512	0.8
89.02456	1.6
95.01405	0.7
96.96040	0.8
99.00871	0.5
99.04514	0.4
100.88504	0.3
101.02443	3.9
113.02468	2.1
119.03495	0.7
123.04591	0.4
125.02455	0.8
149.02327	0.4
156.69705	0.4
161.04547	1.8
183.14015	0.5
240.04317	0.8
255.06688	1.2
271.19144	3.2
357.26398	0.8
363.21722	0.4
375.27802	1.1
381.22891	0.4
399.23843	7.6
400.24301	0.7
413.21582	0.6
417.24768	3.8
459.25766	4.7
460.26294	0.4
519.31842	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	520.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03441	1.3
59.01375	44.7
60.01713	1.3
61.98825	100.0
66.54671	0.4
71.01376	9.3
71.56858	0.5
73.02940	7.4
78.62455	0.4
81.72206	0.4
83.01383	2.8
85.02955	3.5
86.91914	0.4
87.00873	0.6
89.02448	2.1
93.07090	0.6
95.01398	0.5
96.96016	0.7
99.00895	0.9
101.02429	11.4
102.99614	0.4
113.02441	5.5
119.03484	1.1
122.71052	0.4
123.04520	0.4
125.02414	0.6
131.03548	0.7
133.66263	0.4
137.02419	0.6
137.09755	0.5
143.03468	0.8
149.04562	1.2
159.03008	0.4
161.04532	4.2
177.52350	0.4
189.72423	0.4
203.05588	0.6
209.15424	0.5
221.06702	1.5
268.68051	0.4
333.19211	1.3
353.19565	0.5
359.28101	1.1
371.20761	0.8
373.22171	0.6
375.27945	0.4
376.27444	0.4
400.24481	0.5
413.21844	3.0
461.31546	0.8
519.31909	1.1
520.24969	1.0
520.32196	3.4
521.33276	12.7
529.71619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77442	1.9
56.37027	1.6
59.01368	9.3
70.45679	5.1
71.01376	5.9
73.53262	1.9
75.27200	1.7
89.02445	5.7
96.96017	8.8
101.02428	3.3
123.04523	57.5
130.06625	1.8
135.04482	5.2
140.73447	2.1
153.05576	100.0
154.05911	2.1
174.74138	1.8
225.06313	4.5
306.56970	2.0
315.10852	38.3
316.11145	2.0
327.05072	3.1
412.37421	1.8
519.11749	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	519.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55323	0.6
59.01377	74.7
61.98825	1.7
63.02509	0.7
71.01382	4.0
71.56085	1.2
79.95704	0.8
81.82616	0.7
85.02943	1.5
89.02403	0.7
93.03425	0.8
95.01382	1.2
96.95413	1.1
96.95983	5.4
98.95603	0.8
101.02418	3.6
113.02450	4.8
119.03489	1.2
137.02420	1.8
138.92769	0.7
152.91745	0.9
161.04541	3.0
221.06631	1.2
227.75150	1.0
238.11020	1.1
253.51237	0.8
265.09998	0.7
278.20532	0.7
282.09766	0.8
297.12415	100.0
298.12637	5.9
311.14029	9.8
339.13416	4.7
369.14655	1.3
444.65381	0.9
518.94409	1.0
519.10974	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	519.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.7
59.01381	20.3
59.12497	0.8
61.98824	1.5
70.74692	0.7
71.01385	12.1
72.99328	1.8
73.02941	2.3
85.02962	3.1
87.00874	1.1
88.98817	0.9
89.02439	10.1
96.96010	4.9
97.37300	0.7
99.00830	0.8
101.02425	7.2
107.12070	0.7
113.02436	3.7
117.03476	0.7
119.01382	4.1
119.03487	3.3
121.03001	3.5
125.02396	0.7
133.02943	1.2
133.05119	1.0
134.03755	2.0
135.04492	2.3
137.02388	1.0
147.00859	3.8
147.04501	2.2
149.02437	26.9
151.06107	8.5
160.01729	1.6
161.02475	1.0
161.04584	0.9
163.04004	4.4
164.04782	26.8
165.01941	0.8
165.05476	1.5
173.02434	0.8
175.00356	28.9
175.03995	3.2
176.00888	1.1
177.05588	1.6
178.67078	0.6
179.05721	1.2
179.07161	3.6
188.04755	0.7
189.01947	0.9
190.02704	84.4
191.03430	5.5
193.01457	1.5
193.05046	2.6
203.07156	1.7
205.05038	84.6
205.74756	0.7
206.05748	8.9
207.02983	2.5
208.03781	3.2
209.04572	1.2
221.08167	13.1
222.05467	0.7
223.06094	57.7
224.06454	1.7
232.03923	0.9
235.02420	1.3
235.06134	2.2
237.07690	6.6
241.05074	2.0
250.04735	3.9
253.05096	1.2
265.07141	54.2
266.07504	2.3
295.08121	9.6
297.04007	0.8
311.05621	1.3
323.05402	0.8
325.09320	10.4
326.09604	0.7
327.05103	1.4
339.05078	2.5
353.06766	0.9
357.06314	1.4
367.10172	4.8
369.06180	2.0
377.07919	0.7
381.06229	1.3
385.11353	5.0
399.07086	2.7
414.89630	0.8
429.08310	2.0
459.09354	2.7
501.10587	3.2
505.77158	0.8
519.11353	6.3
519.17279	100.0
520.17755	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60522	0.8
57.03430	1.3
59.01377	39.5
59.67730	0.7
61.98825	2.8
64.32214	0.8
65.03976	0.7
71.01379	7.8
71.56199	1.0
71.56621	0.9
73.02950	4.8
79.93177	0.6
83.01370	1.9
85.02959	3.3
87.00883	1.1
89.02430	1.7
90.35059	0.8
91.05537	1.6
93.03450	1.0
95.01350	1.3
96.96000	1.5
97.02919	1.4
99.00870	1.1
101.02451	6.1
108.02169	3.7
109.02946	21.0
113.02449	3.6
119.03495	1.1
121.02953	4.1
122.03806	1.4
123.04528	6.0
134.03801	1.4
135.02982	1.2
135.04523	18.6
137.02403	1.0
147.04524	7.5
149.06099	1.6
161.04578	1.2
173.90567	0.7
186.06766	1.3
197.06075	1.1
199.04053	1.0
203.10538	1.1
212.08380	1.8
213.05653	0.7
214.06328	2.1
229.08624	2.3
238.06285	2.1
241.05075	3.2
253.08679	4.2
255.06519	0.9
256.07388	4.1
271.09738	100.0
272.10098	4.5
301.46140	0.8
357.26328	1.0
386.37689	0.9
459.29456	2.4
475.15982	2.7
477.23981	1.1
477.30707	1.6
519.25250	2.5
519.31720	9.6
530.46338	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.4
61.98817	0.8
65.00319	5.2
65.98189	0.2
68.99802	0.3
69.89279	0.9
71.01387	1.4
73.02921	0.9
83.01358	0.7
85.02952	0.8
89.00334	1.3
89.02441	0.5
91.01379	0.2
91.01907	1.2
93.03436	2.0
95.01366	0.7
97.02946	4.2
99.00867	0.4
101.02424	1.2
108.02175	2.5
113.02431	0.8
119.03452	0.3
121.02940	3.8
123.04527	2.0
124.01667	0.7
134.03732	24.9
135.04536	5.0
137.02429	2.9
138.03191	0.3
139.03999	2.0
142.96025	0.3
147.76683	0.3
149.06075	10.2
149.99586	2.1
150.06398	0.3
160.01628	1.0
161.02425	0.8
163.00407	0.3
164.01137	0.7
165.01912	29.0
166.02557	0.9
175.03967	1.1
176.01137	0.6
178.02708	2.5
178.50426	0.3
179.03465	1.7
187.04025	0.7
191.03490	2.0
199.03987	0.7
202.02614	0.4
210.01662	5.1
212.04823	0.3
213.05432	0.4
215.03551	0.3
217.05016	0.5
224.04675	0.5
229.04655	0.3
239.03325	1.3
240.04213	0.5
241.05051	1.9
254.05936	0.4
255.06589	1.6
256.03839	0.4
256.07361	0.6
257.04596	0.8
265.05008	0.3
267.02878	1.2
271.06024	0.4
282.05307	3.7
283.06155	0.9
284.03271	1.1
285.04044	4.7
297.07617	5.9
298.04791	0.3
299.05539	7.2
300.06348	14.1
301.06702	0.5
315.08710	100.0
316.08997	4.3
329.23276	0.4
357.09756	0.3
416.14749	0.3
459.12949	0.6
459.29410	0.5
477.13956	1.4
477.30917	0.3
519.15045	6.3
519.31744	3.0
520.15631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	14.0
59.01373	25.0
59.32002	1.3
61.98828	50.7
70.30370	1.3
70.30760	1.4
71.01381	9.6
71.34457	1.4
73.02924	2.9
75.00871	14.4
85.02935	4.0
89.02431	5.8
98.20649	4.0
101.02415	6.6
113.02405	1.7
119.03367	1.5
119.05000	1.5
121.02930	4.5
124.01659	1.7
124.24716	1.4
129.01932	11.8
139.04036	2.2
145.02908	2.0
147.02972	21.0
148.05276	2.2
165.01892	3.3
165.04030	26.1
179.77916	1.4
191.03514	4.1
191.07118	4.9
192.03970	1.3
195.08182	1.5
207.08144	2.7
211.07611	2.3
221.06276	2.0
223.07603	3.3
228.80731	1.5
235.07819	1.8
237.05463	1.7
238.04681	1.9
239.07071	5.6
243.02951	5.4
249.05550	2.6
250.06218	2.0
251.07114	13.9
255.02928	2.9
262.06464	2.8
263.07050	8.3
264.07889	3.6
266.05719	1.9
267.06552	30.2
268.03891	2.3
269.04501	6.3
271.02377	6.3
271.05728	4.9
277.05167	1.7
279.06601	23.3
282.08957	17.1
285.04077	1.7
290.43243	1.6
292.56897	1.7
294.05243	13.1
294.08905	8.5
295.06085	9.5
297.11218	5.8
299.01871	9.6
300.02670	5.3
307.05997	3.2
308.06717	2.0
309.07581	16.3
310.08328	4.8
311.05441	3.0
311.08853	1.7
314.04248	6.9
315.05038	12.4
321.07584	1.8
322.08441	7.8
323.05569	23.4
323.09177	1.7
326.07855	11.7
337.07007	1.9
338.07938	24.3
339.08240	1.8
341.10239	61.8
342.10693	2.7
353.10266	100.0
354.10495	5.3
371.11304	48.0
372.11871	1.9
519.14630	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1144
Annotation	5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide
Peak:m/z	Relative Intensity
58.23747	0.7
59.01377	33.8
60.01696	0.9
61.98820	1.9
69.64007	2.9
69.64428	1.5
71.01374	7.7
73.02940	5.7
75.00861	1.0
83.01376	2.2
85.02943	2.8
87.00868	3.2
88.98802	1.0
89.02435	2.9
93.03443	2.5
95.01379	1.3
96.96014	0.9
101.02437	5.9
103.05532	1.5
109.02916	1.1
113.02436	5.4
117.03464	8.3
119.03438	1.7
119.05006	1.7
123.04525	2.4
125.02437	1.8
133.02936	1.4
135.04492	1.8
137.02364	0.9
143.03508	0.7
146.47412	0.8
147.04507	1.7
149.02460	1.0
149.06081	1.2
150.03230	0.8
151.00372	0.7
151.04008	3.5
153.89528	0.6
161.02400	1.7
161.04512	2.7
161.05957	1.0
163.04015	2.1
165.05559	1.8
175.02647	0.8
175.03961	3.6
177.01903	0.8
179.05446	0.8
181.04982	0.7
185.06033	0.7
187.04039	1.4
189.05537	2.1
191.03436	3.8
193.05034	7.3
195.03036	0.9
205.04964	0.8
217.05048	1.3
219.03049	1.7
221.06407	0.7
237.04019	5.9
252.04201	0.9
253.05042	6.7
254.05159	2.0
255.05482	0.7
263.07059	1.0
267.05075	1.3
271.06067	1.7
279.06564	0.9
293.04474	1.3
295.06235	3.4
297.04413	1.0
297.07642	4.5
307.06152	6.1
308.06934	1.9
309.04349	0.8
309.07660	18.3
310.08023	0.8
311.05612	1.1
313.07101	1.2
319.06195	0.9
321.07538	1.8
325.07187	2.0
327.05017	2.9
327.12338	1.2
337.07150	32.1
338.07462	1.1
339.12106	0.8
340.05795	0.8
343.08331	0.9
349.07068	3.8
353.06665	3.0
355.08179	3.7
357.06253	2.7
367.08139	10.6
379.08206	1.4
381.06110	2.4
383.07520	1.1
385.09341	1.5
399.07092	13.8
414.07275	1.1
415.18948	1.3
415.23575	2.0
429.08524	4.1
433.20102	1.0
457.11292	1.6
458.11295	0.9
459.11798	2.0
475.12466	0.8
475.21783	2.4
501.10165	4.4
519.11389	100.0
520.11755	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	519.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.6
60.01689	1.2
61.07860	0.5
61.98812	2.0
69.03461	0.8
71.01382	8.0
72.99301	1.6
73.02942	5.1
75.00861	0.9
77.85198	0.5
81.03435	0.8
83.01392	2.7
85.02943	2.5
85.49072	0.6
86.66083	0.6
87.00871	2.4
88.98792	0.7
89.02441	3.9
91.01925	0.7
93.03447	2.0
95.01373	0.9
96.95985	0.8
97.02935	0.6
98.20662	2.1
99.00851	0.6
101.02460	5.0
103.05517	1.9
107.05036	0.7
108.02148	0.8
109.02921	1.5
113.02441	5.5
115.04003	0.8
117.03466	7.7
119.03482	0.8
119.04996	1.2
121.02934	1.5
123.04508	1.6
125.02443	1.8
133.02963	0.9
134.03728	0.8
135.04478	1.1
145.06560	0.6
147.04558	1.5
148.92386	0.6
149.02464	0.9
149.06058	1.0
151.00316	0.7
151.04008	4.3
153.01953	1.2
161.02423	2.1
161.04543	2.2
161.05983	1.0
163.03975	2.6
165.05569	1.0
175.02557	0.8
175.03944	3.0
177.01970	0.7
177.05486	0.8
179.05563	1.5
187.03918	0.9
189.01854	1.0
189.05511	1.9
191.03470	3.1
192.54498	0.6
193.05048	6.9
195.02985	1.1
201.02013	0.9
207.02895	0.6
217.04959	0.9
219.02902	1.4
222.07010	0.6
223.06079	0.7
225.05560	1.5
237.03986	5.6
249.03911	0.8
251.07170	0.9
252.04240	0.8
253.04980	7.0
254.05197	1.4
255.05679	0.9
263.06995	0.7
267.04965	1.5
271.06161	0.8
280.07410	0.8
283.05960	0.8
295.06085	4.0
296.06760	1.0
297.04218	1.1
297.07620	4.2
302.99649	0.6
307.06079	7.1
308.06787	1.9
309.07672	21.0
310.07947	1.0
311.05606	1.4
313.07114	1.3
315.08942	0.8
319.06100	1.3
321.07675	1.5
325.07080	2.0
327.04984	1.7
327.08505	0.7
327.12265	0.7
335.05746	0.8
337.07162	38.0
338.07376	2.0
340.05804	0.8
341.06607	0.6
349.07074	4.1
353.06699	3.6
355.08151	5.0
357.06158	1.4
365.06247	0.6
367.08188	12.6
368.08353	0.8
379.08252	1.0
381.06006	2.4
383.07635	2.3
385.09393	1.1
399.07181	13.4
400.07434	1.0
415.23755	3.6
429.08319	4.1
457.11609	1.3
459.12302	0.8
473.10947	0.8
475.21170	1.2
500.46835	0.7
501.10153	4.6
519.11401	100.0
520.11609	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25871	0.5
56.34818	0.4
57.03432	2.8
59.01378	13.0
61.98831	18.2
63.77308	0.5
68.99819	0.6
69.03449	0.6
71.01377	2.5
71.05008	0.7
71.57352	0.9
73.02943	1.7
73.55552	0.5
73.82800	0.5
75.00862	0.6
81.03454	13.7
83.01379	2.8
85.02950	1.1
89.02448	1.1
93.03452	0.5
95.01379	1.0
95.05028	7.2
96.95995	0.5
97.02946	3.7
99.04517	13.6
101.02457	2.3
107.05022	1.0
109.02903	0.7
111.04513	1.1
113.02431	2.6
116.92850	0.7
117.03499	0.8
119.03492	0.6
121.02962	0.7
123.04541	6.2
125.02442	24.9
135.04547	0.6
137.02437	3.3
139.04021	3.3
143.04999	0.5
147.04480	0.5
149.02443	1.1
151.04025	1.9
162.05606	0.6
163.00302	0.5
165.01862	0.5
167.03487	100.0
168.03824	2.4
175.00328	1.2
179.03477	2.0
179.05685	0.5
190.01158	0.4
190.02678	2.7
191.03418	0.9
197.04539	18.5
198.04749	0.4
205.05017	3.5
209.04524	0.9
227.03310	0.5
251.05478	0.8
257.04541	3.9
266.48840	0.4
271.06009	0.5
271.09677	0.5
285.04028	10.1
287.07648	2.6
298.08081	0.5
300.06445	2.2
300.45181	0.4
313.07156	15.3
313.10571	0.8
314.07520	1.2
315.08691	10.6
316.09244	0.6
325.06982	0.7
329.08759	5.5
343.08249	3.0
367.10278	1.2
415.09290	0.8
415.23508	0.7
433.11389	1.4
460.19757	0.7
465.53854	0.7
475.15945	1.5
519.15173	0.5
519.31610	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	518.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46158	0.3
53.25306	0.4
59.01366	0.4
61.98817	1.5
67.63892	0.3
71.18826	0.7
78.95899	42.4
88.73440	0.4
96.96969	5.5
150.98006	1.6
152.99576	100.0
153.99850	0.4
171.00644	3.8
181.00844	0.4
277.21677	0.6
431.22006	25.2
432.22433	1.2
506.90100	0.4
518.25232	4.9
519.25964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03558	0.3
56.19405	0.3
57.86729	0.3
59.01377	0.7
61.98828	100.0
71.56899	0.4
76.04577	0.3
82.28994	0.3
107.70858	0.3
108.18864	0.4
309.40186	0.4
392.38354	0.4
519.29211	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00004	0.4
54.18598	0.4
57.03431	1.8
59.01377	40.9
59.52341	0.4
60.01708	1.0
61.98829	9.7
63.02396	2.9
65.00333	2.6
69.19566	4.1
71.01382	6.4
72.67097	0.5
72.99288	0.6
73.02944	6.2
83.01384	3.6
85.02937	1.6
87.00874	0.7
87.04496	0.6
89.02449	1.4
91.22008	0.5
96.96006	3.3
97.02932	0.9
97.06615	0.5
99.00872	0.5
99.04543	0.5
101.02440	4.4
101.03960	0.9
107.01398	4.5
108.02174	0.6
108.57262	0.5
109.02948	0.6
113.02445	1.9
117.03453	1.0
119.03482	0.6
119.05013	0.7
121.02994	0.6
123.04488	1.0
125.02462	3.2
130.21304	0.5
134.03737	2.4
135.04474	0.9
137.02417	1.2
143.05035	1.9
145.02942	1.3
149.06056	0.7
150.50838	0.5
151.00374	6.9
151.03937	1.0
152.01144	0.7
161.02380	0.9
161.04674	0.8
161.05992	0.9
165.01955	2.7
165.07076	2.0
165.10127	0.5
167.05019	0.6
179.03709	0.6
179.05597	0.5
180.05817	1.0
181.06593	1.7
185.05998	0.6
197.06036	1.4
207.13887	0.9
209.06107	5.6
225.05553	0.9
243.06635	2.4
253.05043	100.0
254.05382	4.9
255.06586	0.6
271.06189	2.4
313.07111	0.7
315.08743	7.4
399.23987	1.0
417.24857	0.7
459.25812	1.5
475.12408	37.4
476.12759	2.4
519.24890	1.7
519.32343	2.4
532.59271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68045	0.2
52.59434	0.2
55.04855	0.2
59.01369	0.3
60.23285	0.2
62.65078	0.2
62.96390	0.2
71.34709	0.4
78.95900	42.7
85.30192	0.2
96.96964	5.7
150.98000	1.4
152.99576	100.0
153.99904	0.9
171.00638	4.4
222.51085	0.2
270.70956	0.2
277.21732	0.8
292.14905	0.2
327.13715	0.2
353.08771	0.2
431.21982	25.7
432.22223	1.5
518.25177	5.5
519.25726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03443	3.4
59.01377	66.6
60.01715	0.7
61.98827	100.0
69.03454	0.5
69.59520	0.6
69.59933	1.6
71.01379	10.2
72.21107	0.4
73.02946	2.5
77.92117	0.4
83.01389	1.1
85.02937	1.3
89.02461	0.8
95.01408	0.5
96.95989	1.4
98.20589	0.8
99.00886	0.9
99.59956	0.4
101.02438	3.4
107.01453	0.5
113.02435	1.2
119.03506	0.6
125.02460	0.9
135.04527	0.5
137.09641	0.7
143.03389	0.7
161.04527	0.9
192.11534	2.0
193.08652	0.7
199.62469	0.4
203.03828	0.7
203.05600	8.4
207.13882	20.1
253.05011	6.6
396.88507	0.4
411.20151	0.5
442.82895	0.4
475.12653	1.9
491.48032	0.4
518.17151	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
58.25633	0.3
59.01378	59.1
60.01709	1.7
61.98829	100.0
71.01381	12.0
71.56755	0.3
72.99310	0.7
73.02946	11.3
75.00869	0.4
76.12409	0.4
81.26229	0.5
81.83038	0.4
83.01392	4.9
85.02969	2.8
87.00876	0.6
89.02001	0.5
89.02450	4.9
90.02752	0.4
94.38667	0.3
95.01394	0.6
96.96015	1.3
98.62303	0.4
99.00884	0.4
99.04535	0.4
101.02443	15.8
102.02733	0.5
102.71895	0.4
111.00828	0.4
113.02442	7.3
114.02781	0.5
119.03481	3.1
119.04992	0.5
125.02404	0.6
131.03473	1.6
137.09709	2.9
143.03435	1.7
149.04539	3.1
151.00313	1.1
161.04538	6.0
179.05591	0.6
187.30202	0.4
189.12811	0.9
203.05589	0.7
221.06709	2.3
271.06107	2.3
284.03107	1.0
285.03528	1.4
299.05405	0.9
300.05801	1.6
312.05862	0.7
315.08383	0.6
320.09900	1.0
398.22375	1.2
411.19919	0.6
416.23425	0.7
458.24417	1.1
474.10608	0.5
475.12299	0.7
502.03461	0.4
518.17047	0.7
519.23920	1.0
519.31445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.43677	5.5
60.84334	5.2
61.98814	7.0
69.53347	19.6
69.53779	17.0
71.01382	17.4
80.36226	6.0
88.75065	5.0
96.41547	4.7
98.20625	7.1
99.05830	5.1
101.02420	7.7
106.85666	6.9
113.02463	5.9
128.86261	5.8
138.86383	5.2
264.07925	5.9
307.26282	5.0
399.78308	5.9
413.04791	6.3
457.32001	11.1
481.26434	31.1
517.24036	13.9
517.33337	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	517.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	56.4
61.98811	7.9
69.99654	20.8
71.01363	18.2
73.02940	6.3
76.50826	4.9
85.02952	12.0
95.01385	31.4
96.96017	6.3
98.20560	7.0
101.02431	5.8
111.00905	5.4
113.02454	7.2
123.00883	43.4
125.98159	4.7
126.82969	6.0
136.69702	5.1
148.90527	4.9
255.06532	8.8
283.06042	7.4
369.33197	5.8
481.26486	16.6
517.23773	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73839	9.0
59.01379	100.0
61.98833	42.6
71.01371	25.0
71.56850	9.7
73.02966	14.2
73.49754	7.9
76.14838	9.3
76.90988	8.9
85.02971	13.3
101.02459	22.5
113.02441	19.5
121.02935	8.4
125.02447	8.5
127.53975	9.2
172.44322	8.0
175.25291	8.2
185.22173	8.0
220.17316	10.6
238.67567	8.0
265.00165	8.3
283.05963	18.1
295.22708	27.3
311.05670	8.6
313.24048	14.0
316.39890	8.0
370.51782	8.6
457.27902	25.5
475.29001	30.6
481.26425	12.1
500.84674	10.5
517.23834	38.4
517.30609	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	518.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03443	3.4
59.01377	66.6
60.01715	0.7
61.98827	100.0
69.03454	0.5
69.59520	0.6
69.59933	1.6
71.01379	10.2
72.21107	0.4
73.02946	2.5
77.92117	0.4
83.01389	1.1
85.02937	1.3
89.02461	0.8
95.01408	0.5
96.95989	1.4
98.20589	0.8
99.00886	0.9
99.59956	0.4
101.02438	3.4
107.01453	0.5
113.02435	1.2
119.03506	0.6
125.02460	0.9
135.04527	0.5
137.09641	0.7
143.03389	0.7
161.04527	0.9
192.11534	2.0
193.08652	0.7
199.62469	0.4
203.03828	0.7
203.05600	8.4
207.13882	20.1
253.05011	6.6
396.88507	0.4
411.20151	0.5
442.82895	0.4
475.12653	1.9
491.48032	0.4
518.17151	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03429	2.7
59.01380	48.1
61.98822	2.0
68.99841	0.9
69.03447	1.1
69.93996	0.7
70.24274	1.8
70.24682	1.7
71.01382	21.0
72.99306	2.9
73.02940	2.7
75.00865	10.8
82.95378	1.1
83.01438	1.1
83.04994	0.9
84.12410	0.8
85.02945	20.1
87.00873	8.7
89.02435	8.1
89.37204	0.7
91.03989	0.8
95.01399	4.5
96.96038	1.6
98.20589	0.9
99.00877	7.1
100.53146	0.7
101.02437	5.0
103.00376	2.4
113.02449	31.2
115.00328	1.4
115.92000	0.8
116.92856	1.9
117.01952	1.9
117.03422	0.9
119.03484	1.0
129.01898	1.6
131.03465	1.1
149.04552	1.9
157.01355	0.9
157.22881	0.8
161.04564	1.7
161.09695	1.6
161.13377	1.0
163.11307	1.3
175.02411	2.6
182.27269	0.8
187.11264	2.6
189.09059	0.9
205.12363	2.0
207.05048	1.7
207.10280	1.4
223.13318	1.4
237.07646	2.3
241.04980	4.2
249.06126	12.3
267.07196	58.7
268.07626	1.4
269.04489	6.3
281.04480	1.5
283.06085	8.0
298.10562	0.7
311.05643	14.8
323.05734	1.7
341.06421	1.1
341.15897	1.1
359.03906	0.8
392.93497	0.7
413.08838	1.0
431.09644	0.8
455.19388	1.1
457.17230	2.4
473.10892	6.1
499.18289	1.9
517.19202	100.0
518.19525	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41286	0.6
58.87175	0.7
59.01379	30.7
59.40496	0.6
69.06919	0.7
71.01389	5.3
73.02931	1.0
75.00865	0.9
80.10870	0.6
82.95426	1.0
84.95123	5.0
85.02934	2.3
87.00874	2.5
89.02437	2.6
96.95976	1.1
98.20660	1.7
101.02432	2.4
101.30027	0.6
102.47575	0.6
106.06611	2.1
113.02445	4.8
129.55264	0.6
132.02161	3.9
135.00876	1.5
135.04622	0.6
150.05611	1.0
162.05653	3.9
165.04021	1.8
168.40071	0.8
195.04495	2.6
208.05286	1.7
223.03979	7.4
224.04765	3.8
225.05508	1.1
229.36011	0.7
240.94760	0.6
251.03511	5.5
252.04257	56.3
253.05032	100.0
254.05322	3.3
314.13962	1.8
356.09802	1.9
376.25104	0.6
397.09384	1.3
457.11371	47.2
458.11807	2.9
462.93732	0.7
517.09827	1.4
517.19025	1.2
517.26129	1.7
524.24988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88357	1.7
59.01361	5.9
65.97619	1.7
66.52162	1.7
69.42236	5.3
69.42655	7.5
70.97135	1.6
74.21498	1.8
77.03972	2.6
78.15894	1.6
90.56087	1.6
93.03422	1.8
98.20592	3.0
117.03448	6.8
130.79092	1.7
140.39473	1.9
161.02400	4.9
165.01863	1.8
183.04416	1.8
239.07039	2.9
269.04504	6.1
281.04422	8.3
282.05087	2.6
283.02991	3.2
283.06104	52.0
284.06461	2.6
293.04504	3.1
295.05905	8.2
309.03757	1.7
311.05606	100.0
312.06015	3.2
314.04376	2.3
323.05560	11.5
341.06540	19.0
395.07843	2.0
413.08682	5.3
431.09680	2.7
473.10922	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	517.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22105	0.9
52.69461	0.9
59.01377	23.8
63.02410	1.6
63.80510	1.0
70.51052	2.6
70.51407	1.7
71.01382	4.2
73.02937	1.2
85.02950	2.9
87.00867	1.1
89.02457	2.1
96.96009	2.3
99.06078	1.2
101.02404	2.2
113.02435	3.8
119.03522	1.0
132.02109	1.5
133.02956	3.2
159.04520	1.6
180.05722	1.3
181.06581	1.9
183.04373	1.0
193.08719	1.7
197.06003	1.7
207.06499	5.0
237.07713	11.9
252.04312	2.1
253.05132	9.1
267.07324	2.0
268.03738	6.3
269.04526	100.0
270.04849	4.1
272.91519	1.1
276.92157	1.0
278.29431	1.1
283.06091	3.9
291.06619	1.0
311.05539	11.5
323.05750	1.7
457.11331	3.4
473.10583	2.5
475.84369	1.2
517.18848	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	516.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17626	0.4
59.01377	12.4
61.98828	100.0
65.17625	0.3
71.01389	2.2
71.55976	0.4
73.00700	0.4
73.02931	0.9
85.02956	1.1
87.04514	1.3
89.02448	0.8
93.65598	0.4
96.96016	1.6
99.00903	0.4
101.02442	1.2
113.02453	1.2
121.02953	62.2
122.03284	1.3
135.04517	0.4
157.99046	0.4
169.98888	0.4
183.54317	0.3
198.00874	0.4
222.29692	0.3
267.06613	0.5
312.35083	0.4
328.94482	0.4
353.23407	1.7
354.23578	1.8
416.10504	0.6
417.14462	0.4
516.29303	0.9
517.30103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16822	1.3
59.01368	4.0
63.12003	1.1
67.43741	1.2
69.45271	9.2
70.36569	1.2
77.03947	2.3
93.03481	1.8
104.18199	1.3
107.19511	1.4
117.03475	12.9
118.84534	1.5
121.02946	3.5
128.27209	1.4
135.04582	1.8
149.02397	3.7
159.04497	3.1
161.02431	5.8
163.03975	4.0
168.73172	1.5
191.03397	1.9
245.84491	1.6
268.03903	2.0
269.04495	5.8
281.04556	6.1
282.05307	3.4
283.06100	55.6
284.06439	3.1
293.04514	2.5
295.06082	3.5
309.03937	2.1
311.05582	100.0
312.05960	5.5
323.05405	8.1
341.06693	12.4
365.25699	1.7
374.05444	1.6
393.85840	1.5
413.08786	18.0
473.10864	71.6
474.10986	3.3
510.20291	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	514.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65866	0.1
53.97582	0.1
58.26706	0.1
59.01368	0.2
61.98827	100.0
69.36462	0.7
69.36873	0.3
74.98057	0.1
82.95406	0.3
102.24398	0.1
135.22861	0.1
147.10088	0.1
167.06821	0.1
175.03925	0.2
228.93817	0.1
258.66922	0.1
348.05154	0.1
407.72079	0.1
427.15948	0.1
514.32849	0.4
515.17657	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89803	2.0
57.03448	4.4
58.02966	7.3
59.01377	10.6
61.98824	4.4
69.65217	11.1
70.02982	3.1
71.01379	5.5
74.25379	1.9
85.02946	2.8
89.02455	2.3
91.05509	5.8
92.10269	1.9
96.29095	1.9
96.96003	23.4
99.00861	2.2
101.02441	3.9
102.05602	51.1
113.02406	2.3
126.90357	2.9
128.03537	56.8
129.17200	2.2
135.04500	4.5
146.04597	100.0
147.04518	15.2
160.01643	2.6
161.06091	6.3
164.07147	38.3
175.03922	3.0
179.07109	7.7
181.05049	2.2
205.04877	2.2
205.08723	3.2
206.08202	61.8
246.87773	2.1
256.07507	2.5
264.08737	96.8
265.09128	2.9
269.04443	3.2
317.06638	3.4
360.35971	2.3
395.07867	3.1
515.11218	3.9
515.18127	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	515.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25698	0.7
58.25350	0.8
59.01376	49.5
61.98834	0.9
69.15349	0.7
71.01383	4.0
78.95923	0.8
84.02136	0.9
85.02954	1.2
96.96031	1.1
97.40533	0.9
101.02470	2.5
111.93800	0.9
113.02455	4.9
121.10214	11.0
127.11151	0.8
134.42349	0.9
171.10260	20.5
184.04289	0.9
185.11803	1.5
207.59592	0.8
211.13380	1.0
228.16895	0.9
231.21150	2.5
275.20129	39.8
276.20496	1.3
293.21213	100.0
294.21649	3.9
317.21155	1.1
417.61755	0.9
496.75208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.3
70.56831	0.3
90.74847	0.3
98.19817	0.4
106.04237	0.7
107.05003	0.9
111.26586	0.3
121.02895	0.3
159.33836	0.3
163.11272	30.7
164.11603	1.0
175.11293	1.9
176.12030	1.0
177.09106	0.3
177.12828	3.9
190.09991	0.7
207.10225	0.5
208.11000	3.7
229.22713	0.4
230.04906	0.3
279.23386	0.5
281.15405	1.5
282.16183	4.0
283.17001	6.2
284.17093	0.5
293.15433	1.5
293.36456	0.3
294.16016	0.4
295.16876	0.7
321.18518	0.5
339.23224	100.0
340.23581	5.6
345.20224	0.3
349.21704	0.6
351.23233	6.5
515.35242	80.6
516.35583	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03436	0.2
58.00594	0.3
59.01376	5.2
70.35303	0.2
71.01377	4.3
72.99302	0.2
73.02949	0.9
75.00893	0.1
81.03473	0.1
83.01385	0.4
83.05020	0.2
85.02940	1.1
87.00879	0.5
89.02439	3.4
89.79973	0.1
91.04009	0.1
95.01366	0.4
97.02946	0.2
97.06612	0.1
99.00884	0.3
101.02437	4.1
102.02814	0.1
103.04024	0.2
113.02450	1.8
113.03260	0.1
115.03983	0.1
119.03484	0.9
125.02428	0.2
127.07611	0.2
131.03519	0.2
133.05060	0.4
143.03510	0.3
145.05008	0.1
149.04549	0.1
152.99579	0.1
157.05055	0.2
161.04539	1.5
179.05624	0.5
205.19441	0.1
233.22810	0.3
235.08183	1.2
253.09267	14.8
254.09653	0.5
259.20599	0.4
275.20151	0.4
277.21695	100.0
278.22028	5.2
278.25244	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99391	46.2
63.07119	46.1
71.13008	100.0
81.88805	41.0
88.20540	46.4
92.55775	47.8
96.06551	51.4
118.55967	50.0
121.80273	43.6
153.03738	53.8
154.58727	53.7
164.79379	51.2
211.13359	54.9
311.05563	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.40188	0.1
57.03458	0.1
58.00344	0.1
58.00607	0.2
59.01374	5.5
64.15735	0.0
69.19462	0.2
69.19893	0.3
71.01376	4.4
72.99303	0.3
73.02947	0.8
75.00866	0.1
81.03453	0.0
83.01372	0.5
83.01737	0.0
83.05029	0.2
85.02945	1.1
87.00870	0.6
89.02438	3.2
91.04025	0.2
95.01389	0.3
96.79296	0.1
97.02950	0.2
97.06608	0.1
99.00893	0.2
99.04551	0.1
101.02438	4.1
102.74379	0.1
103.04000	0.1
106.41714	0.0
111.04487	0.1
113.02448	2.0
113.06089	0.1
115.04034	0.1
119.03488	0.9
125.02448	0.2
127.07628	0.3
131.03526	0.1
133.05057	0.4
143.03506	0.4
149.04585	0.1
157.05072	0.2
161.04549	1.5
164.91066	0.1
179.05612	0.5
182.13243	0.1
205.19583	0.1
208.14749	0.1
233.22726	0.3
235.08200	1.3
236.08542	0.1
253.09261	15.5
254.09622	0.3
259.20544	0.3
275.20035	0.4
277.21689	100.0
278.22034	5.2
278.25317	0.1
528.21399	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23264	0.7
54.31332	0.6
55.01872	0.9
57.03439	1.8
58.00595	1.3
59.01377	48.0
61.98826	52.3
62.98517	0.8
69.03443	0.8
69.51245	1.4
69.51657	3.5
71.01380	24.7
72.99293	2.1
73.02941	8.4
78.18012	0.7
83.01393	5.8
85.01476	0.6
85.02946	9.1
87.00870	1.6
88.98788	1.4
89.01927	1.1
89.02438	13.9
90.52175	0.6
95.01395	1.7
96.95996	0.8
97.02951	1.4
98.19817	0.6
99.00875	3.9
101.02447	26.6
106.84451	0.7
113.02450	11.0
119.03497	7.2
125.02406	1.3
131.03458	0.9
140.05089	0.6
143.03494	4.1
161.04543	2.6
179.05602	2.5
185.04533	3.1
250.19373	0.7
270.11832	0.6
283.05963	0.7
288.14160	1.3
291.18036	6.6
360.60498	0.7
431.09299	0.7
450.19461	1.3
453.23367	100.0
454.23761	5.3
458.83255	0.7
513.27002	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	513.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
57.03439	2.6
58.00582	1.4
59.01378	54.3
61.98826	59.6
69.03458	1.0
69.18920	7.9
70.02499	0.7
71.01377	28.1
72.99304	1.8
73.02944	8.7
75.46686	0.6
83.01383	5.9
85.02945	9.7
87.00866	2.2
88.98820	3.9
89.02442	18.5
95.01366	3.1
96.96084	1.0
97.02942	2.1
98.19948	1.8
99.00880	4.7
101.02440	32.0
113.02451	12.3
114.61795	0.8
119.03481	7.6
125.02436	1.4
131.03517	1.2
143.03513	3.7
149.04503	0.9
161.04504	3.5
179.05591	3.2
185.04538	1.9
209.04425	0.9
221.06610	0.7
249.14958	0.8
288.14362	2.0
291.18057	6.6
450.19699	1.0
453.23355	100.0
454.23743	5.6
477.23502	1.8
513.19470	0.9
513.26660	3.4
513.34113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	100.0
59.01372	83.0
61.98812	2.7
63.74131	0.7
69.62315	4.3
70.90106	0.7
71.01378	9.2
73.02939	10.9
81.03439	2.3
83.01398	4.3
83.24677	0.8
85.02936	2.1
89.02434	2.3
96.96003	1.7
98.19836	1.4
99.04509	93.9
100.04841	1.2
101.02436	26.7
103.81561	0.7
113.02426	4.4
113.99569	1.0
119.03457	1.5
125.02432	42.4
131.03484	0.9
143.03502	5.3
148.22255	0.8
149.04491	1.3
155.03473	1.3
161.04579	3.7
179.52138	0.8
203.05518	2.3
203.14445	0.9
213.13319	0.8
258.05991	0.8
385.96695	0.8
469.20941	0.9
502.44296	0.9
513.19952	1.4
514.21161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95549	0.4
59.01374	4.7
59.10965	0.5
61.98814	0.5
68.19668	0.5
69.17974	0.5
69.30643	3.2
69.31048	0.7
71.01385	1.7
73.02930	1.2
73.50331	0.5
79.81875	0.5
87.06480	0.4
94.95098	0.5
98.19931	1.0
99.61964	0.5
101.02435	1.1
110.06110	1.9
113.99583	6.3
115.00374	1.6
120.40116	0.5
121.05343	0.8
122.06110	2.8
124.07635	0.6
144.04510	2.8
145.05289	0.7
146.06178	0.7
160.04002	0.5
161.04759	1.9
164.19783	0.4
172.04008	1.7
173.04749	1.3
174.05472	0.7
202.98553	0.5
203.05884	0.8
204.06644	3.6
211.08688	0.9
212.05858	4.7
225.06807	1.1
225.10173	0.9
227.11908	0.9
228.12671	0.6
237.10297	3.4
238.08789	0.7
239.08182	3.4
240.08923	1.6
241.09883	1.2
251.08154	0.5
251.11841	2.3
252.10225	0.8
252.12524	3.4
253.06085	4.0
253.09741	3.1
254.10564	0.8
255.11324	1.6
266.06900	1.6
267.07684	6.5
267.11267	1.7
268.08359	2.1
268.11969	2.8
269.12811	1.5
279.07837	1.1
280.08539	2.4
281.06277	0.6
281.09299	10.2
282.09814	1.1
284.90375	0.6
285.08792	1.9
295.10840	5.7
296.11621	14.6
297.11984	1.0
299.10394	3.1
300.11145	2.1
311.10550	0.8
312.11197	0.6
313.11942	1.6
327.13144	1.1
328.10718	4.8
328.14209	1.1
329.11115	1.4
340.10516	1.6
360.13275	0.6
374.18994	1.0
406.17606	1.4
418.17737	6.1
419.18002	0.8
436.18713	4.2
462.16522	1.2
480.17737	7.1
494.19171	2.4
512.20343	100.0
513.20789	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	512.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
61.98832	1.8
69.95928	1.6
71.01379	0.7
98.14362	0.4
98.19908	0.5
100.65182	0.4
101.02404	0.6
104.27263	0.4
108.04563	0.4
110.06094	2.7
113.02445	0.4
121.05345	1.5
122.06116	3.5
124.07663	0.4
144.04538	4.2
146.06117	0.4
158.05925	0.4
160.04042	1.7
161.04816	2.1
165.20177	0.4
172.04033	2.6
173.04779	1.1
174.05585	1.2
188.03525	0.7
190.05157	0.9
203.05916	2.2
204.06668	6.1
205.07353	0.5
212.05852	3.9
213.10379	0.6
215.24899	0.4
223.08826	0.5
225.06665	1.0
225.10469	0.5
227.11890	0.9
236.09483	0.6
237.10329	4.2
238.08792	0.6
239.08199	2.7
240.09050	1.3
241.09824	1.1
251.11838	2.8
252.10320	0.6
252.12639	4.3
252.31577	0.3
253.06137	4.6
253.09740	3.9
254.10577	0.6
255.11374	2.0
264.09067	0.4
265.06189	0.7
265.09570	0.5
266.06940	1.4
267.07709	6.3
267.11340	2.1
268.08551	4.4
268.11948	3.1
269.08865	0.4
269.12814	1.4
278.10550	0.5
279.07681	1.0
279.11307	0.6
280.08557	2.7
281.09311	11.3
282.09656	0.9
283.10861	0.7
285.08841	1.9
285.12360	0.8
294.10345	0.5
295.10855	6.5
295.13925	0.7
296.11630	15.1
297.12180	1.3
299.10327	3.5
300.11154	1.4
309.08929	0.4
311.10385	1.6
312.10864	0.5
313.11868	2.6
322.09595	0.4
325.11801	0.9
327.13544	0.8
328.10568	5.5
328.14331	1.4
329.11377	1.7
340.10638	1.3
343.12860	0.9
344.14359	0.4
360.13333	1.0
362.18781	0.5
372.13348	0.7
374.18622	1.7
406.17914	1.8
418.17706	6.7
433.00885	0.4
436.18756	6.5
437.19238	0.4
450.20230	1.3
462.16678	1.7
468.21436	1.0
480.17755	9.7
481.18002	0.8
494.19290	2.4
512.20343	100.0
513.20581	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	511.291
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
50.32686	0.2
57.03439	0.8
59.01368	0.5
69.03432	0.3
70.16755	0.2
70.45899	0.2
70.46248	0.6
83.05027	0.4
95.04998	0.3
97.06565	0.5
111.08150	1.9
163.11234	0.5
165.12839	20.9
166.13177	0.8
179.74553	0.2
183.13889	100.0
184.14238	2.5
209.11813	4.4
227.12866	14.3
228.13156	0.4
277.27472	0.2
283.15405	1.6
301.16559	10.6
302.16965	0.3
331.26385	0.6
358.59378	0.2
373.93042	0.2
375.25327	0.4
449.29102	1.2
467.30142	1.9
487.87857	0.2
493.27969	1.4
511.29071	43.1
512.29419	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	511.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
65.30026	0.5
70.04772	1.7
70.05139	0.8
73.56496	0.4
78.95895	16.3
96.96931	1.3
146.44385	0.5
152.99570	29.2
171.00644	1.8
227.03212	4.5
245.04250	1.1
283.26382	100.0
284.26746	5.1
419.25595	1.1
511.30338	69.0
512.30627	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	512.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63484	0.2
57.03463	0.2
59.01381	3.1
61.98829	100.0
69.36209	0.6
69.36636	0.6
71.01384	1.7
72.99344	0.1
73.02953	0.6
74.53212	0.2
77.17200	0.1
83.01385	0.4
85.02966	0.5
89.02422	0.9
95.01368	0.2
96.96024	0.2
97.01701	0.2
97.02982	0.2
99.00895	0.3
99.28619	0.2
101.02431	1.7
113.02477	0.7
119.03521	0.4
124.07670	1.0
143.03537	0.2
149.16597	0.2
161.04625	0.2
162.05612	0.4
163.06375	0.2
166.33946	0.1
178.05139	0.2
195.05376	0.2
210.19226	0.2
211.13400	0.2
243.15004	0.2
287.14005	3.8
288.14334	0.2
291.18231	0.3
329.15054	0.5
449.19263	1.6
453.23398	5.2
466.25278	0.2
477.23425	0.2
487.68613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.98809	0.7
66.85168	0.4
69.26496	0.3
71.01384	0.6
71.57819	0.4
71.58221	0.4
72.99303	0.4
78.95880	0.3
79.95766	0.5
81.95321	0.7
84.20552	0.4
87.00871	0.4
96.96011	22.0
97.95950	1.1
98.95592	24.3
98.96423	4.2
99.92583	13.6
99.93261	0.5
100.92715	0.4
100.93382	1.6
102.90868	0.4
103.00351	0.6
113.02394	0.4
114.94926	0.6
115.92075	23.9
116.92857	100.0
117.92862	2.7
140.92836	0.7
141.93642	0.6
142.94405	2.0
148.05309	1.3
156.92307	0.4
163.07680	1.2
165.08168	0.4
184.91962	1.6
184.95619	0.4
193.01520	0.3
196.95415	0.6
197.55685	0.4
227.99841	0.3
231.98318	0.5
242.96034	0.5
243.96902	0.4
299.03955	0.4
334.53183	0.4
407.04401	2.7
425.05508	2.9
437.05792	0.6
441.28635	0.4
449.05356	1.2
467.06442	3.9
475.03455	2.2
511.05432	10.1
512.05914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29978	0.4
61.98825	100.0
66.60349	0.5
67.28857	0.4
71.01376	0.6
71.55663	0.7
91.46255	0.4
94.42743	0.5
96.96019	2.8
153.01973	0.5
160.04024	0.6
162.05588	36.9
163.05959	1.2
167.03506	0.6
235.66153	0.6
285.06384	0.5
286.10818	36.3
287.11371	1.2
448.16031	15.2
449.16574	0.7
486.21576	0.5
510.95032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24613	0.5
59.01379	5.3
60.27861	0.5
61.98826	5.2
63.50937	0.5
69.38037	2.3
69.38462	1.7
71.01380	1.4
71.59409	0.5
73.02926	0.7
85.02955	0.5
89.02434	0.6
98.19862	1.1
101.02419	0.8
107.01366	1.1
113.02472	0.5
113.99644	0.5
130.36221	0.5
131.87718	0.6
133.02940	6.6
149.02405	1.2
151.00330	3.7
175.04022	2.7
199.03926	2.1
201.01906	1.3
217.04987	1.2
225.13281	0.5
241.05132	0.7
243.02917	0.8
256.03799	1.6
257.04489	0.6
284.03253	4.3
285.04022	100.0
286.04391	5.0
297.03992	2.4
298.04773	0.9
299.05615	2.1
327.05066	11.2
328.05197	0.8
357.06177	5.1
447.09277	60.4
448.09689	3.7
460.41125	0.5
515.96509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	5.1
69.60677	5.0
74.01043	0.7
98.19879	1.5
109.02952	1.6
121.02944	1.9
121.97233	0.8
133.02945	9.5
135.04532	1.0
147.04517	1.6
149.02426	1.6
163.00374	1.5
163.03990	2.3
165.01906	1.4
175.03964	3.1
175.12376	0.8
177.01912	1.4
191.03477	2.1
193.01373	1.2
201.01950	1.0
213.05466	1.0
227.03575	0.9
253.04950	1.1
284.03198	7.9
285.04071	6.7
297.04025	15.0
298.04816	8.6
299.05548	18.6
300.06012	0.9
309.03915	1.0
311.05621	2.8
325.03360	1.0
327.05072	100.0
328.05276	4.2
339.05032	3.6
357.06113	26.1
358.06439	1.2
369.06247	1.9
393.06128	0.8
425.48950	0.9
447.09280	90.4
448.09595	5.2
448.30603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72175	0.5
54.80123	0.6
59.01376	5.2
61.98827	15.2
71.01367	1.7
75.00870	1.2
83.01385	0.7
85.02927	0.7
87.00879	1.4
89.02434	0.7
94.34839	0.5
96.95994	1.4
108.73980	0.5
109.02947	0.5
115.00368	1.3
119.04992	0.6
133.02940	2.5
149.02473	0.8
151.00334	1.7
156.00674	0.7
168.79349	0.5
175.02457	1.5
175.03990	1.6
176.02814	0.9
189.77388	0.6
199.03873	1.2
212.02179	0.5
222.39023	0.7
227.03467	0.7
243.06282	0.7
255.02904	0.7
256.03592	1.3
257.04776	0.6
258.08530	1.0
284.03241	38.2
285.04004	81.9
286.04355	3.3
288.09384	0.9
297.03992	1.7
298.04678	1.4
299.05643	2.2
327.05042	11.8
329.98553	0.7
333.10757	0.7
334.11148	2.2
357.06134	3.3
447.09274	100.0
448.09555	6.6
488.59137	0.5
495.95560	0.6
510.14206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73693	0.4
57.03444	32.8
58.00594	0.4
59.01375	15.9
69.57999	2.6
70.31829	0.4
71.01379	2.9
71.64830	0.5
77.26523	0.4
82.02959	2.5
89.02443	1.7
89.04960	0.4
90.69185	0.4
99.04508	20.3
101.02441	8.0
110.02463	0.7
125.02432	5.1
130.05318	0.5
139.98880	0.5
143.03462	0.8
145.07701	58.0
146.08058	1.5
154.89023	0.4
161.04544	10.5
162.04810	0.6
170.07224	3.3
185.10701	0.4
187.08742	0.5
188.08269	42.5
189.08551	0.9
210.10310	1.3
214.09836	34.0
215.10217	0.6
226.09805	1.3
228.11313	1.3
230.09148	0.5
238.09874	1.0
244.10872	3.0
256.10883	16.3
261.12372	0.7
268.10922	2.8
277.91522	0.4
279.13440	1.2
286.11862	1.1
304.12994	30.5
305.11441	1.8
306.64417	0.5
322.14035	100.0
323.14346	5.9
347.12445	0.6
364.15231	2.9
365.14658	5.7
407.15573	0.9
449.15509	1.9
466.18350	5.9
486.52972	0.5
494.59845	0.5
509.33469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83824	0.3
54.01502	0.3
70.79948	0.8
77.31887	0.4
78.95901	19.4
80.53960	0.3
96.96958	1.8
150.98038	0.5
152.99576	29.4
171.00620	1.6
216.04198	0.4
227.03186	4.2
245.04298	1.7
281.24829	100.0
282.25211	5.2
417.24338	0.7
509.28793	69.0
510.29272	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09698	0.7
57.03464	1.0
59.01375	100.0
61.98833	1.2
69.42153	1.5
69.42558	4.0
69.95071	0.7
71.01376	8.9
72.99311	1.9
73.02937	4.9
75.00878	2.8
81.21854	0.8
83.01406	1.4
85.02945	2.4
89.02431	5.3
94.63733	0.8
101.02431	6.0
103.75639	0.7
113.02438	5.1
117.59861	0.7
119.03508	2.5
125.02470	1.0
133.02945	1.0
137.02469	2.2
143.03502	1.4
147.02890	0.8
151.04028	1.0
161.04509	1.2
165.70836	0.7
176.40935	0.7
179.03482	4.8
189.12823	2.3
190.02763	2.6
201.11327	1.6
205.05075	2.7
209.11790	0.8
295.27429	0.8
327.04941	3.5
347.15018	1.2
357.06064	3.6
361.22382	2.3
369.19037	1.5
387.20187	5.8
415.26947	1.0
429.21216	7.5
447.09396	3.1
461.27029	0.8
473.16522	4.8
509.13901	1.8
509.26178	1.0
509.30032	1.2
524.93646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09698	0.7
57.03464	1.0
59.01375	100.0
61.98833	1.2
69.42153	1.5
69.42558	4.0
69.95071	0.7
71.01376	8.9
72.99311	1.9
73.02937	4.9
75.00878	2.8
81.21854	0.8
83.01406	1.4
85.02945	2.4
89.02431	5.3
94.63733	0.8
101.02431	6.0
103.75639	0.7
113.02438	5.1
117.59861	0.7
119.03508	2.5
125.02470	1.0
133.02945	1.0
137.02469	2.2
143.03502	1.4
147.02890	0.8
151.04028	1.0
161.04509	1.2
165.70836	0.7
176.40935	0.7
179.03482	4.8
189.12823	2.3
190.02763	2.6
201.11327	1.6
205.05075	2.7
209.11790	0.8
295.27429	0.8
327.04941	3.5
347.15018	1.2
357.06064	3.6
361.22382	2.3
369.19037	1.5
387.20187	5.8
415.26947	1.0
429.21216	7.5
447.09396	3.1
461.27029	0.8
473.16522	4.8
509.13901	1.8
509.26178	1.0
509.30032	1.2
524.93646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
70.11340	0.2
71.01386	0.4
78.95911	0.9
79.95741	3.3
96.96008	100.0
114.93417	1.0
116.21282	0.3
148.05283	2.1
163.07669	2.7
172.94688	0.3
213.15016	0.3
229.29797	0.4
448.08041	0.3
509.24579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1236
Annotation	Biflavanone C
Peak:m/z	Relative Intensity
50.21561	0.4
59.01370	1.9
61.98843	0.5
65.03956	1.0
68.19753	0.5
71.42038	0.8
108.02151	4.2
109.02956	9.6
121.02930	1.9
123.04507	3.9
133.02939	0.5
135.00887	0.7
137.02429	3.0
183.13966	0.8
211.03990	1.3
226.02837	0.6
239.03493	2.2
240.04260	1.9
254.05751	1.8
255.06473	1.0
261.05496	0.6
269.04440	0.9
274.06415	0.5
288.04202	0.8
289.05014	1.0
290.05621	0.6
299.07251	0.5
301.05008	2.5
302.05859	2.4
303.06531	1.8
313.05130	1.5
314.05939	1.1
315.06836	0.5
317.08179	4.1
323.07129	0.5
325.05026	0.5
326.05841	0.6
327.05334	1.7
328.07477	0.6
339.06409	0.7
340.03522	0.6
341.04431	2.3
341.08145	1.1
342.05206	1.7
343.06110	1.6
343.09885	0.6
351.06689	0.7
352.07693	0.5
355.06015	0.8
356.06848	1.8
357.07724	3.8
365.08154	1.0
366.08749	0.7
367.05746	0.7
367.09769	1.0
368.06750	0.5
369.03976	3.0
370.04861	3.2
371.05435	0.9
383.09201	0.9
384.06506	0.8
385.07187	4.8
391.10123	0.7
392.06821	1.0
393.07593	1.8
394.08475	0.7
396.06314	0.7
407.09213	1.2
408.09982	1.2
409.07181	0.9
410.08041	0.5
411.08871	3.2
417.07727	0.8
424.09586	0.8
425.10480	0.7
426.11069	7.1
434.07449	0.6
435.08582	2.3
437.06604	0.7
441.13489	2.6
447.09064	1.0
450.11102	1.1
451.08243	1.2
479.07651	1.2
494.10132	15.0
495.10385	1.2
509.12384	100.0
510.12772	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	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.49409	0.3
70.70859	0.4
70.71167	0.5
78.95902	9.0
96.96938	0.6
97.63068	0.3
150.98038	0.4
152.99582	13.8
169.92590	0.3
171.00629	1.5
204.83131	0.3
227.03288	2.2
245.04297	1.2
261.22263	0.6
279.23267	100.0
280.23596	5.1
507.27231	37.5
508.27811	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93333	0.2
55.01878	2.5
57.03157	0.2
57.03444	3.7
58.00584	0.6
59.01377	10.9
61.98829	0.6
66.81316	0.2
68.99817	0.4
69.03436	0.5
71.01378	20.5
72.99306	1.0
73.02944	9.1
73.03303	0.1
75.00862	0.5
83.01385	5.8
85.02948	13.6
85.06582	0.2
85.12650	0.2
85.13680	0.2
86.00092	0.7
87.00871	1.5
89.02436	0.9
95.01385	1.9
97.02982	0.4
99.00874	3.8
99.04503	0.4
101.02437	17.6
111.00873	3.3
113.02447	7.5
113.67151	0.2
114.02740	0.2
125.02422	0.6
129.01910	1.0
141.01910	0.2
143.03494	0.4
151.53886	0.2
159.02974	1.9
160.22139	0.2
160.63289	0.2
161.04555	3.8
165.01884	0.2
172.97789	0.2
211.17046	0.4
213.18553	2.5
213.61726	0.2
214.18896	0.3
299.25891	1.2
327.28979	0.4
345.30075	5.8
346.30420	0.2
359.28043	1.2
387.30954	0.2
507.35339	100.0
508.35721	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	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
57.03439	1.3
59.01378	100.0
61.98829	3.1
66.02480	0.8
71.01376	15.6
71.57119	0.7
72.99309	1.4
73.02937	6.4
75.00870	1.5
83.01391	2.8
85.02945	6.7
87.00862	2.2
88.98796	2.8
89.02450	2.5
95.01389	0.9
96.95992	0.7
99.00867	2.1
99.04496	2.0
101.02434	11.9
108.92805	0.6
113.02433	5.3
119.03488	0.7
121.02937	1.1
123.04467	1.0
125.02361	1.4
133.02956	0.8
147.04520	1.4
149.02359	1.0
159.02928	1.1
161.02408	0.7
161.04544	5.9
165.12762	1.1
175.07578	0.9
189.12672	1.0
205.12253	0.8
207.13739	2.0
209.10088	0.8
209.11804	6.6
225.14952	4.5
227.12872	24.4
228.13083	0.9
237.09769	8.4
269.13708	3.0
279.10638	2.7
285.07529	1.0
285.20453	1.0
287.14600	1.0
303.21475	2.5
304.03592	0.7
447.25314	3.0
465.27103	4.5
471.22293	0.8
477.19016	5.1
489.23370	10.1
507.23880	99.6
508.24329	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	507.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64400	0.4
55.01876	0.8
57.03449	4.5
57.03710	0.4
58.03791	0.4
59.01376	22.3
61.98817	2.1
69.03455	1.2
69.36639	2.6
69.37057	0.8
71.01378	16.3
72.99323	1.1
73.02944	5.1
75.00889	0.7
76.13269	0.3
81.03477	1.0
83.01382	3.2
83.05030	0.6
85.02942	6.0
87.00896	1.2
87.04524	1.4
88.98825	1.3
89.02435	10.5
95.01402	1.5
97.02955	0.9
97.06633	0.6
98.20616	0.7
99.00904	1.5
99.04552	1.2
101.02439	10.6
103.04025	0.6
109.02963	0.7
111.08151	2.2
113.02434	5.2
115.04079	0.6
117.05591	1.6
119.03493	4.8
125.02442	14.0
126.02768	4.7
127.02850	2.5
131.03429	0.6
135.06631	7.3
137.02422	0.8
139.03993	0.8
139.29514	0.4
140.04329	0.4
143.03510	1.1
149.02457	1.6
149.04474	0.8
149.25839	0.5
150.02780	0.8
151.03998	2.3
152.04410	0.9
159.03003	0.6
159.06683	0.5
161.04524	3.8
165.12837	16.1
167.03514	0.6
167.14389	0.9
168.03796	0.5
179.05608	1.3
183.13887	57.2
184.14198	2.1
188.08330	1.1
195.13855	0.9
197.15459	10.0
198.15790	0.4
207.13911	0.8
209.11694	1.9
225.14882	1.8
227.12877	6.7
230.09248	1.3
251.12859	0.6
257.08148	0.8
272.12851	0.5
279.10895	0.9
297.11844	7.5
301.07126	2.5
302.07474	2.9
303.07776	4.5
303.11365	0.5
303.11880	0.4
327.08176	0.6
332.15030	0.9
343.08142	0.8
344.08444	0.7
345.08585	1.5
375.27374	0.5
436.25476	0.5
447.25729	0.9
463.25558	0.5
465.26813	1.7
489.22977	0.9
507.24231	100.0
508.24622	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	507.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14452	0.3
54.36677	0.3
57.03441	0.9
59.01377	100.0
60.01736	0.6
61.98823	1.1
71.01365	2.8
71.56116	0.4
73.02954	2.9
80.66644	0.3
83.01398	0.9
85.02969	0.5
88.98827	0.3
89.02457	1.1
90.64674	0.3
96.19601	0.3
96.96018	1.1
99.04528	0.6
101.02437	3.3
113.02464	0.9
115.00388	1.0
119.03512	0.7
125.02430	0.8
131.03473	0.3
143.03508	0.4
149.02496	0.6
149.04594	0.4
161.04538	1.7
165.02052	0.5
175.02466	2.2
193.04918	0.3
203.11966	0.3
222.90134	0.3
252.90065	0.3
285.07373	0.4
303.08783	0.4
348.16345	0.3
387.20255	0.7
405.21057	0.4
447.22476	3.0
461.93057	0.3
507.24603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52983	4.7
53.70244	5.0
53.76756	4.6
59.01379	100.0
61.98840	12.1
63.34325	4.5
71.01382	10.6
71.55760	4.3
71.56207	6.6
73.02937	6.6
74.77293	4.5
78.95872	4.3
79.16603	4.1
101.02437	5.8
111.08164	9.7
113.02441	6.0
181.77838	5.3
194.10321	4.9
197.11821	48.1
244.64966	5.2
277.50443	6.2
291.19620	10.7
309.20676	82.9
310.21109	5.8
331.18076	6.0
386.03827	5.0
507.23410	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	507.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01376	100.0
63.83983	0.6
64.56303	0.6
69.03479	0.5
71.01373	4.5
71.56521	1.1
73.02951	2.6
74.58079	0.5
83.01389	1.5
85.02946	1.5
89.02463	1.9
96.34241	0.6
96.96001	3.6
99.04556	1.2
101.02438	5.0
113.02466	1.9
119.02803	0.9
121.02982	0.7
125.02441	0.8
149.02550	0.7
157.06256	0.9
161.04521	1.7
191.04976	1.4
303.08762	1.7
447.22400	3.5
507.10297	0.8
507.24594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.71099	0.7
59.01369	2.3
59.09740	0.6
59.95145	0.6
60.07653	0.8
62.87872	0.7
70.29362	0.7
70.90622	1.1
70.90970	1.0
71.01385	2.1
72.99305	2.0
75.00871	29.3
87.00868	5.7
89.02453	1.7
95.78355	0.7
99.00874	1.9
105.01928	5.3
108.77657	0.7
108.92719	0.6
117.01871	0.8
129.01941	6.0
131.44104	0.6
147.03014	2.9
149.04573	0.9
165.04033	100.0
166.04396	1.3
168.65488	0.7
170.13858	0.6
179.63515	0.6
185.99594	0.6
193.07166	0.8
217.52284	0.7
262.05951	0.6
265.60043	0.7
378.35870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70050	2.2
56.80094	2.4
57.03419	3.3
59.01380	77.4
60.01707	5.5
61.98830	5.4
63.01805	2.8
69.31793	9.8
69.32217	11.6
71.01369	8.4
73.02930	4.2
78.95921	4.2
85.02946	5.5
87.00855	2.6
89.02454	3.3
91.00864	2.4
96.95992	2.5
101.02428	6.9
105.86349	2.4
113.02391	3.3
133.36989	2.6
138.05688	2.8
144.73734	2.3
161.04570	3.8
165.12868	5.2
171.10245	7.1
179.07295	2.4
189.18251	2.4
197.02122	7.7
211.13420	3.1
240.10464	2.8
247.20815	3.1
291.19696	24.1
293.20987	4.4
309.20715	100.0
310.21078	5.1
311.22208	14.0
394.19559	3.5
409.22055	4.5
465.33096	4.6
507.23639	11.1
507.35178	5.7
508.26407	8.3
534.07544	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	507.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	0.5
59.01382	6.0
61.00645	0.4
61.98824	0.4
63.08208	0.3
71.01374	2.3
71.55318	0.5
73.02943	3.0
76.30004	0.4
80.02669	0.8
82.23153	0.4
83.01393	1.0
85.02956	0.4
89.02457	0.5
101.02437	3.7
107.01405	1.0
108.02169	24.8
113.02441	0.7
118.47520	0.3
123.04523	25.0
124.04817	0.5
127.57461	0.3
130.71400	0.3
134.06113	0.6
135.06572	0.5
136.01646	3.5
151.04004	55.4
152.04401	1.2
161.04485	0.5
163.00383	1.9
167.03427	2.6
178.05139	0.6
179.03491	51.5
180.03838	1.3
183.04520	0.7
183.13898	1.3
211.03957	0.7
226.02527	0.7
227.03526	1.1
241.05086	1.0
255.02966	100.0
256.03320	4.2
257.08115	0.6
269.04456	2.2
270.05313	33.9
271.05627	1.7
284.06888	1.6
285.07669	41.9
286.08020	2.2
297.11905	0.5
303.08719	59.4
304.09125	2.8
447.12961	0.9
473.27536	0.4
483.33929	0.4
506.33994	0.4
507.07803	0.6
507.15146	9.9
507.23517	1.0
507.34836	0.4
508.15314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
59.01373	11.1
61.98833	0.4
69.45016	2.4
71.01378	7.3
73.02946	5.9
80.02689	1.0
83.01392	1.4
85.02934	2.5
89.02457	2.2
91.47340	0.4
95.01351	0.5
96.96008	2.0
99.00881	0.9
101.02434	6.2
107.01408	1.0
108.02172	23.1
109.02988	0.5
113.02448	4.4
119.03486	1.0
123.00889	0.4
123.04520	26.9
125.02432	0.7
131.03467	0.5
131.49559	0.4
135.06601	0.7
136.01625	3.7
136.14694	0.4
137.06003	0.4
143.03477	0.5
146.78500	0.4
151.03996	55.9
152.04343	0.8
152.53346	0.4
153.01897	0.7
161.04541	1.1
163.00388	2.1
164.01028	0.4
165.12840	1.8
167.03499	3.2
168.52574	0.5
179.03485	46.6
180.03813	1.1
183.04556	0.6
183.13879	4.8
197.15433	1.4
211.03978	1.0
227.03464	1.9
227.12857	1.5
248.24039	0.4
255.02965	100.0
256.03354	4.2
257.08032	0.7
270.05316	34.3
271.05649	1.8
285.07672	39.1
286.08035	2.3
297.11908	1.3
303.08725	50.8
304.08984	2.3
447.12842	5.3
465.13651	1.0
465.26590	0.8
489.39468	0.5
499.94058	0.5
506.34131	1.6
507.14978	9.4
507.24600	9.8
507.35828	1.0
508.15097	0.8
508.24887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90018	3.3
61.98826	100.0
67.72877	3.3
70.25665	11.8
73.05487	3.5
75.45923	3.4
78.95609	3.6
83.84167	3.8
101.08296	3.5
102.40717	3.8
104.29504	3.3
104.34807	3.1
219.58661	3.7
306.16180	3.4
401.85211	4.2
505.71707	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	507.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	64.4
61.98806	12.8
68.32783	9.5
71.01358	20.3
71.56622	12.0
72.49031	10.3
72.99334	13.9
75.00841	10.7
85.02927	11.0
85.59065	9.3
101.02416	20.2
109.02915	15.9
113.02408	12.4
128.74297	11.7
133.02991	15.3
151.00313	14.3
159.02834	11.2
163.03981	14.4
165.01880	29.1
166.02684	12.7
179.03464	14.2
184.56081	10.4
285.03928	11.7
297.04007	15.7
299.05435	19.9
303.08755	87.9
327.01266	15.4
327.04987	100.0
357.05978	15.2
376.77219	12.1
447.09180	87.9
507.10043	18.0
507.21262	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	505.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03445	0.8
59.01377	100.0
60.01714	0.6
61.98823	0.1
68.99842	0.1
69.03448	0.3
69.43128	0.7
71.01381	8.1
71.05008	0.1
72.99306	0.4
73.02944	3.0
75.00870	0.2
83.01383	2.4
84.02184	0.1
85.02947	5.3
85.06577	0.1
86.00111	0.2
86.03340	0.1
87.00867	0.5
89.02448	0.6
95.01387	1.0
95.58236	0.1
97.02966	0.4
99.00879	1.3
101.02437	5.5
111.00861	0.6
113.02446	3.7
115.04025	0.2
124.01628	0.2
125.02422	0.5
129.01926	0.2
129.09233	0.2
141.01910	0.2
143.03500	1.1
159.02945	0.6
161.04532	1.5
168.14070	0.1
196.03871	0.1
200.31906	0.1
201.03638	0.1
204.07808	0.1
211.17070	0.2
213.18613	0.4
213.37434	0.1
234.93248	0.1
299.26120	0.2
301.27448	2.0
302.27917	0.1
307.24942	0.1
337.89127	0.1
343.28769	0.1
397.29660	0.3
409.29608	0.2
415.30576	0.4
424.23474	0.1
445.31668	19.7
446.32062	1.4
463.32721	15.9
464.33075	1.3
505.33673	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.2
55.34107	0.3
57.03223	0.3
57.03450	2.8
58.00576	0.5
59.01380	16.4
60.01708	0.4
61.98805	0.4
69.03443	0.5
71.01377	27.6
72.01715	0.3
72.99297	1.3
73.02944	11.0
74.25817	0.3
75.00858	0.9
78.86852	0.3
83.01382	6.6
85.02943	18.1
86.00083	1.1
87.00878	1.5
89.02435	1.7
93.07095	4.2
93.38020	0.3
95.01376	2.9
96.96009	0.5
97.02945	0.9
98.19836	0.7
99.00876	5.1
101.02436	27.4
109.41142	0.3
111.00889	3.9
112.01752	0.3
113.02439	11.0
125.02440	1.0
129.01959	1.6
137.02431	0.4
141.01918	0.4
143.03502	1.2
159.02994	2.9
161.03235	0.6
161.04541	8.8
197.19420	0.3
200.65012	0.3
209.60132	0.3
211.17059	0.9
213.18613	3.5
223.68073	0.3
227.16528	0.9
303.85779	0.3
327.25287	0.9
337.66220	0.3
343.28433	3.0
357.26443	5.9
375.19052	0.7
375.23853	12.4
376.24094	0.5
387.20044	0.9
445.31750	1.2
469.32211	0.7
475.32791	1.4
487.32697	1.3
505.33847	100.0
506.34158	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	505.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28486	0.5
59.01377	1.6
70.15790	2.0
78.95901	27.0
96.96955	2.2
102.62245	0.5
129.39331	0.5
150.98027	0.8
152.99576	44.1
154.51445	0.5
159.08128	0.5
170.11743	0.5
171.00652	2.3
172.30319	0.5
191.64006	0.6
209.37494	0.5
227.03226	5.8
245.04231	1.2
248.23093	0.7
275.20325	0.6
277.21701	100.0
278.22028	4.6
317.45294	0.5
319.43066	0.5
366.44241	0.6
413.21216	1.3
505.25696	82.5
506.26007	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	505.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27282	0.3
51.33367	0.3
51.51281	0.4
57.25980	0.3
59.01371	1.2
70.70518	1.1
71.01403	0.4
78.95899	12.1
81.59303	0.4
85.91136	0.4
88.30281	0.3
96.96972	0.9
117.32562	0.3
138.86259	0.3
152.99571	18.7
171.00647	1.6
184.00140	0.6
202.77969	0.3
227.03197	3.3
233.22765	0.4
245.04248	1.6
248.07950	0.8
259.20648	0.5
277.21689	100.0
278.22012	5.1
279.23441	0.8
280.23685	0.8
302.15735	0.4
400.01520	0.4
475.70618	0.4
505.25668	43.2
506.25821	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	505.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.8
57.03439	2.5
58.00578	1.6
59.01378	100.0
62.38622	1.1
64.61999	1.1
69.03458	1.5
69.44386	7.3
69.44799	2.5
71.01380	44.8
72.51564	1.2
72.99301	2.2
73.02944	55.8
75.00867	2.0
83.01390	17.0
85.02942	13.1
87.00863	2.4
89.02437	8.5
93.03461	2.5
93.07092	2.6
97.02980	1.4
99.00879	3.9
101.02441	55.8
111.00906	2.4
113.02448	24.2
119.03513	3.3
125.02414	2.9
131.03474	3.3
133.02945	11.3
137.02444	2.5
143.03484	5.0
149.04541	5.4
158.20540	1.3
159.02991	1.8
161.04552	11.3
203.05701	2.0
203.51363	1.3
221.06664	1.3
239.10765	14.8
329.90768	1.4
343.28406	1.8
375.23953	3.8
387.19977	1.2
413.64999	1.4
505.33878	57.1
506.34238	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	505.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01102	0.3
59.01380	3.8
61.61202	0.2
61.98835	0.5
62.38884	0.2
62.99000	0.2
62.99326	0.3
63.02396	0.8
65.00336	0.7
65.03968	0.4
68.46504	0.2
68.65942	0.2
68.99837	0.3
69.85410	0.2
71.01376	1.4
71.58846	0.3
73.02938	0.8
73.37040	0.2
75.00880	0.2
83.01408	0.8
85.02943	0.8
87.00869	0.4
87.04558	0.2
88.98801	0.6
89.02449	0.4
93.03460	5.2
95.01392	1.0
96.95999	0.3
101.02450	0.7
107.01397	1.1
108.02210	0.9
109.02949	3.1
113.02448	0.9
119.04990	0.5
121.02959	2.9
123.00909	0.3
123.04536	0.9
124.01666	1.3
125.02425	0.6
133.02963	0.3
134.03700	0.2
135.00871	0.4
135.04527	0.4
136.01666	0.7
137.02441	6.5
138.02670	0.3
141.74159	0.2
148.01720	0.2
149.02429	1.6
149.06081	0.5
150.03296	0.3
151.00349	1.6
151.04012	0.3
152.01137	0.9
153.19191	0.2
161.02415	0.6
161.04602	0.2
163.00346	0.2
163.03955	0.3
164.01164	1.4
165.01923	100.0
165.99080	0.5
166.02252	2.4
175.03958	0.3
177.01924	3.2
179.03496	1.0
181.01402	0.3
189.01799	0.2
195.02847	0.3
196.00102	0.7
196.05321	0.4
199.04083	0.3
207.02991	5.4
216.04140	0.2
217.05005	0.3
229.18120	0.4
240.04213	0.3
257.08032	0.5
268.03653	0.3
278.02472	0.2
283.05844	0.3
285.04080	2.4
286.04675	0.6
299.09177	0.3
301.07150	87.3
302.07477	4.2
313.07120	0.3
315.09048	0.2
343.08243	2.6
361.29822	0.6
373.25937	0.6
445.24179	0.4
504.32681	0.6
505.13138	0.8
505.26428	1.1
505.32794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	14.2
59.01376	4.1
62.73796	0.3
63.28082	0.4
65.00307	0.5
65.03958	0.5
69.03459	0.7
69.44252	2.4
71.01378	1.6
73.02942	1.0
76.69130	0.3
81.03466	2.6
83.01379	7.1
85.02953	1.3
89.02454	0.5
90.95308	0.4
93.03451	1.1
95.05003	0.6
97.02951	2.6
98.95105	0.3
101.02438	1.3
105.03468	0.7
107.01442	0.9
107.05024	1.7
108.02157	1.3
109.02946	1.5
111.04560	0.4
113.02459	0.8
121.02938	1.6
123.00918	0.5
123.04503	0.9
124.01662	1.8
125.02441	100.0
126.02774	1.7
135.00894	0.4
136.01668	0.4
137.02431	2.4
139.04021	5.0
148.01648	0.5
149.02437	15.1
149.03627	0.8
150.02849	0.4
151.00314	0.5
151.03999	17.5
152.01060	0.4
152.04315	0.4
153.01993	0.4
163.00323	0.5
163.03938	0.5
164.01175	0.8
165.01958	0.9
167.03490	6.5
177.01955	1.3
179.03467	0.9
190.54715	0.3
191.03455	0.7
257.08160	11.0
258.08618	0.7
285.07751	0.5
299.05582	1.5
301.07150	42.1
302.07471	1.7
313.07040	1.9
315.08688	1.1
325.07117	6.1
327.08673	0.4
343.08200	9.6
344.08542	0.6
355.08112	0.5
389.09943	0.4
463.25134	0.4
504.32425	0.6
505.13574	8.6
505.26682	3.1
505.33789	1.9
506.14075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1351
Annotation	Viscumneoside VI
Peak:m/z	Relative Intensity
54.47702	0.2
55.01881	0.2
57.03439	0.4
59.01376	2.9
61.26960	0.2
65.00322	6.8
70.24545	0.2
70.93035	0.5
71.01382	2.8
73.02940	1.4
83.01395	0.6
85.02952	1.3
89.00319	1.9
89.02437	0.5
91.01892	1.5
95.01401	0.3
97.02950	5.3
99.00873	0.7
101.02425	2.3
107.04987	0.3
107.50771	0.2
108.02159	0.4
109.02953	4.0
111.00922	0.2
113.02432	0.9
121.02945	3.0
124.01649	0.7
125.02438	0.3
134.03743	1.9
135.04520	100.0
136.04857	2.0
137.02490	0.4
139.04008	1.1
149.99591	2.1
151.00357	0.3
153.01894	0.8
161.02472	2.0
161.04535	0.7
164.01137	0.3
165.01923	50.9
165.11476	0.2
166.02298	1.3
179.03555	0.3
179.14397	0.2
183.02888	0.3
211.13457	0.3
221.08220	0.2
240.04185	0.2
243.06630	0.3
268.03851	0.3
283.06046	0.7
284.03360	0.3
285.03940	0.3
297.06094	0.7
299.05582	0.4
300.06485	0.3
301.07153	78.0
302.07532	3.1
339.10864	0.7
357.25800	0.2
364.61200	0.2
375.23993	0.3
387.20035	0.6
432.85574	0.2
435.45383	0.2
445.11453	0.6
463.12564	0.9
505.13489	9.9
505.26535	0.5
505.33875	6.6
506.13608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43725	1.6
58.99428	1.2
59.01105	2.1
59.01380	32.2
61.98824	29.6
69.52515	7.2
71.01386	8.0
72.99303	4.0
73.02948	3.8
75.00881	1.2
79.58512	1.3
85.02950	3.5
87.00855	1.4
88.98816	3.1
89.02419	6.4
93.03438	3.2
96.96004	7.5
98.20681	2.4
101.02455	7.2
105.03463	7.0
109.02917	2.2
113.02454	4.2
116.92851	3.6
117.03465	13.1
119.03513	1.6
119.05029	4.3
121.02943	3.7
123.04519	2.3
125.02422	2.2
133.02940	5.0
134.03830	1.4
135.04524	2.3
137.02435	2.2
143.01454	1.5
145.02919	2.4
147.04498	3.9
149.02428	20.3
149.06056	1.3
150.03210	1.3
151.03979	2.3
155.94279	1.4
159.04449	1.9
161.02473	8.7
161.04515	1.7
163.00322	1.5
163.03917	1.5
165.01907	9.2
167.03471	2.8
173.02390	4.1
175.03951	3.5
176.01212	1.6
177.01915	30.7
180.24174	1.3
181.05020	1.9
185.02422	1.8
186.90428	1.4
187.00378	3.2
191.03464	3.9
192.00723	1.2
193.04982	3.5
195.08168	1.5
203.03427	1.6
205.01399	33.6
205.12288	3.3
209.04543	2.3
219.03003	3.2
221.06186	2.2
223.05827	2.2
223.07791	3.1
224.04756	1.5
225.05547	1.7
225.07829	1.3
234.06467	1.4
236.04720	1.5
237.05638	1.6
239.07140	2.8
241.05058	1.6
247.02458	3.9
249.05574	1.4
251.07127	5.3
253.04875	3.6
256.03766	2.1
265.04956	3.1
265.07291	14.4
267.06613	27.2
268.07092	1.6
269.04416	2.6
271.06180	7.4
273.07672	2.0
277.05075	7.3
279.06625	4.2
281.04449	6.4
282.05408	1.8
283.06110	34.7
284.06503	1.8
293.04529	7.2
294.05194	1.6
295.05966	67.2
296.06418	4.3
297.07556	3.0
299.05524	2.5
301.07147	9.2
305.04645	8.4
307.06024	2.3
309.04095	2.2
311.05585	53.3
312.05994	4.3
314.04266	1.6
323.05582	61.8
324.05923	3.7
325.09430	2.4
327.04919	2.4
335.05438	2.7
337.87680	1.7
339.05096	5.8
341.06625	20.0
341.10519	2.7
353.06607	4.6
367.04477	49.6
368.04803	2.8
369.05920	2.9
385.05716	1.5
385.11606	3.2
415.10629	1.7
431.09790	100.0
432.10367	7.2
443.09879	21.3
444.10657	1.5
447.09338	2.7
459.09000	1.7
487.08777	88.0
488.09036	4.3
505.09344	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	504.281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94419	0.6
56.49809	0.6
59.01366	0.9
61.98827	100.0
65.07125	0.7
78.95892	0.9
109.67719	0.6
110.98568	0.6
114.08799	0.7
247.82256	0.7
278.22031	1.0
279.23407	1.5
446.23935	1.2
504.19730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01067	2.1
59.01377	44.7
61.98831	29.1
66.06801	1.8
69.24531	1.8
69.56491	9.9
71.01385	9.7
72.99317	5.2
73.02937	5.5
83.01378	3.1
85.02949	2.7
87.00873	1.9
88.98801	6.1
89.02445	5.9
90.16571	1.9
93.03416	2.9
96.96030	10.9
98.19781	2.0
101.02438	7.0
105.03430	8.1
105.75858	1.9
109.02991	2.3
113.02424	3.8
116.92883	3.6
117.01997	2.0
117.03461	14.3
119.05019	3.4
121.02921	1.8
123.04510	3.4
133.02950	6.6
137.02367	2.5
139.03999	2.5
145.02875	3.9
147.04497	3.0
148.01637	2.5
149.02437	26.7
149.06079	2.2
152.01210	1.8
161.02420	7.6
161.04533	2.3
162.45256	1.8
165.01935	12.4
167.03558	3.5
175.03983	2.7
177.01913	29.8
179.03461	2.0
181.04822	1.9
191.03427	3.9
193.05142	2.5
195.08174	2.1
196.05333	2.4
204.99472	2.1
205.01395	43.2
205.12366	3.8
208.05325	1.9
219.03023	3.1
223.07782	2.2
225.07690	2.3
235.02386	2.3
241.05000	3.9
247.02441	5.3
249.05640	2.8
251.07045	3.6
256.03802	2.2
265.04791	3.0
265.05304	1.9
265.07281	12.3
267.06583	25.6
269.04459	5.4
271.06018	9.9
277.05042	7.1
279.06525	3.0
281.04547	6.5
282.05396	2.7
283.06116	38.0
293.04590	10.6
294.05029	3.1
295.05988	68.6
299.05511	2.2
301.07242	14.3
305.04535	10.3
311.05582	65.6
312.05975	3.6
323.05573	63.5
324.06000	4.6
325.06082	2.1
327.05023	3.0
335.05545	2.6
339.05206	3.9
341.06625	21.8
353.06580	3.6
355.07770	2.3
367.04523	47.4
368.04749	2.6
369.06146	2.5
385.11340	3.7
431.09811	97.1
432.10278	6.7
443.09869	23.0
444.10538	2.4
447.09042	3.0
459.08994	3.2
487.08704	100.0
488.09000	6.4
505.09338	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
61.98827	100.0
65.94447	0.3
69.39917	2.7
71.01376	1.0
73.02904	0.4
79.40979	0.3
93.03458	4.2
109.02977	0.9
113.02467	0.4
114.83070	0.4
115.40198	0.4
122.42862	0.3
135.04509	0.5
137.02446	7.8
163.03999	6.1
175.48708	0.4
178.06354	6.9
190.02753	0.4
190.53256	0.4
193.08688	12.9
240.31158	0.4
248.54158	0.4
257.08282	0.9
267.67560	0.4
352.05441	0.8
487.72214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
59.61791	0.1
61.98820	0.3
72.87247	0.2
98.20639	0.4
109.02962	0.3
116.23347	0.2
121.02951	0.4
122.03722	0.5
123.04515	0.2
134.03723	0.2
135.04536	1.7
137.06104	0.2
138.05612	0.5
147.03255	1.2
147.04369	0.2
149.02469	0.3
160.04047	1.2
160.92914	0.2
161.02328	0.2
161.04712	0.3
162.05597	100.0
163.05968	2.2
176.07170	0.3
177.01904	0.3
205.01324	0.4
255.06586	0.7
267.06494	0.2
283.05981	0.3
285.10007	1.1
295.06085	0.6
298.10788	0.2
300.12387	64.5
301.07315	0.3
301.12708	3.4
311.05603	0.4
315.35999	0.2
323.05707	1.0
341.06613	0.2
367.04581	0.2
384.08124	0.3
431.09842	1.1
443.09637	0.3
444.16434	0.4
459.26880	0.2
462.17279	0.4
487.09058	0.9
504.12363	0.4
504.18640	4.6
505.10297	0.4
505.19214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
56.90345	0.2
57.03444	1.2
59.01376	100.0
60.01711	0.7
68.42368	0.2
69.25985	1.1
69.26395	0.3
71.01379	5.4
73.02943	1.5
79.18737	0.1
83.01394	1.4
85.02943	3.3
86.00105	0.2
87.00888	0.3
89.02453	0.6
95.01385	0.4
96.95993	0.2
97.03020	0.2
99.00889	0.7
101.02448	3.3
111.00896	0.5
112.01727	0.2
113.02455	2.7
113.03201	0.1
124.01637	0.2
125.02447	0.2
136.22701	0.1
143.03551	0.6
147.94727	0.2
159.02907	0.3
161.04532	1.0
178.55402	0.2
209.48589	0.2
213.18733	0.2
299.25900	2.1
413.29062	0.3
443.30133	8.1
444.30707	0.6
461.31180	7.6
462.31732	0.7
503.31909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62088	0.4
59.01376	100.0
60.01706	0.7
61.98829	0.8
69.29048	2.4
71.01387	2.1
73.02946	0.7
83.01397	0.3
84.30045	0.3
85.02977	0.9
89.02465	0.3
96.96016	0.4
98.19842	0.6
99.00910	0.3
101.02437	1.5
113.02466	1.3
161.04582	0.7
164.08786	0.3
175.19188	0.3
177.66508	0.3
190.34413	0.4
353.50510	0.3
383.24310	0.8
401.25598	1.0
443.26498	1.0
461.31183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44823	0.4
54.20874	0.3
59.01378	100.0
60.01702	0.7
61.01786	0.4
61.91168	0.3
61.98857	0.6
71.01381	6.5
71.37110	0.3
71.55936	0.7
72.99312	0.6
73.02948	5.9
74.02469	0.5
74.02939	0.3
83.01379	2.1
85.02967	1.5
86.89097	0.4
87.00880	0.6
89.02462	1.5
96.96015	0.6
101.02438	5.3
108.02225	0.5
110.25357	0.4
110.66194	0.3
111.00835	0.4
113.02441	3.2
121.02956	1.4
123.04556	0.8
130.24117	0.4
143.03470	0.5
151.04018	0.7
155.03459	0.4
160.48090	0.4
161.04601	1.2
179.14412	0.7
200.76697	0.4
225.05637	0.4
225.39011	0.3
239.03519	0.4
241.05124	0.6
250.14391	0.4
254.05867	0.9
269.04645	1.6
283.06000	0.5
284.06955	1.6
299.05911	0.8
299.09192	7.1
299.12619	0.5
300.09634	0.5
368.19147	0.6
386.19788	2.2
443.26559	0.6
503.15866	1.0
503.33243	2.4
504.27960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01718	1.4
61.01817	0.4
61.25770	0.4
61.98830	0.6
71.01385	2.3
73.02953	0.9
83.01380	0.3
85.02965	0.8
87.00883	0.4
89.02460	0.4
98.20655	1.2
101.02458	1.5
110.30037	0.4
113.02466	0.8
119.03521	0.4
161.04645	0.7
297.83200	0.4
326.46783	0.4
383.24356	0.8
399.08578	0.3
401.25464	1.2
420.83963	0.3
443.26645	1.1
461.31390	0.9
482.23065	0.4
503.32568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33819	0.7
57.03460	1.0
59.01377	100.0
60.01731	1.0
61.20928	0.9
61.98823	1.3
63.61783	0.9
65.98909	0.8
69.32378	5.6
69.32788	1.8
71.01379	14.6
73.02575	1.3
73.02930	7.0
75.28242	0.7
83.01385	3.0
85.02952	5.0
88.18318	0.8
89.02447	7.6
101.02445	9.0
105.19135	0.8
112.98573	2.0
113.02444	13.4
119.03506	3.2
119.04995	1.3
131.03487	1.8
143.03487	1.0
161.03386	0.8
161.04507	4.9
177.67795	0.9
179.05635	1.7
209.11772	1.3
255.06677	3.0
332.31940	0.9
355.28604	0.9
399.23898	11.6
417.25018	6.4
459.26035	1.6
503.24545	1.3
503.31982	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	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84200	0.6
55.01875	1.1
57.03447	0.7
59.01376	100.0
59.15964	0.6
60.01699	1.4
61.96631	0.6
66.88615	0.6
69.03457	0.8
69.34432	6.0
71.01379	10.8
73.02961	4.5
83.01399	1.9
85.02941	6.7
87.00912	0.9
87.04533	1.3
89.02451	2.7
95.01390	1.0
98.19918	1.2
99.00899	2.2
101.02436	6.5
113.02452	9.6
119.03558	0.9
123.21558	0.8
161.04553	4.0
180.91180	0.6
209.10138	0.7
219.13942	0.9
229.18167	1.1
353.10681	0.8
373.22290	0.9
391.23123	1.1
399.23834	19.9
400.24371	1.5
417.25031	6.7
456.97278	0.7
459.26224	2.5
484.77414	0.7
503.32568	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76180	0.8
55.01874	2.4
57.03443	2.4
58.00585	1.9
59.01376	100.0
64.89467	1.2
69.03458	2.1
69.32531	7.9
71.01377	36.9
73.02942	34.9
83.01381	12.2
83.86247	0.8
85.02940	13.5
87.00869	1.6
89.02422	8.9
95.01392	3.7
97.02986	1.2
97.04214	0.9
97.06600	6.2
99.00874	3.2
99.04510	1.2
101.02438	39.0
107.01345	0.9
109.06593	3.3
111.00866	1.2
113.02448	20.3
119.03510	2.9
121.02937	1.1
125.02427	2.2
127.07716	2.0
131.03479	2.4
137.75336	0.9
138.54669	0.9
143.03444	4.8
149.04538	2.9
151.00322	1.9
159.02946	1.2
161.04533	12.5
165.12872	2.2
175.98019	0.9
179.05658	1.9
189.12755	1.2
189.27576	0.9
191.75772	0.8
199.16960	1.8
207.13864	1.4
209.11794	4.0
243.19562	2.6
255.06586	7.5
332.17145	0.9
350.34177	0.8
357.22906	2.1
375.23758	3.3
386.19669	2.2
387.23776	4.6
399.23935	1.1
405.24875	1.2
455.30054	1.0
459.12888	6.8
485.24063	1.5
485.30704	1.6
503.12372	1.5
503.24902	10.9
503.32224	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06386	1.4
52.99583	1.3
59.01378	100.0
61.98832	2.4
65.52847	1.3
69.19091	1.4
69.32153	5.9
69.32582	6.1
71.01376	22.6
72.36539	1.3
72.84750	1.5
72.99320	1.9
73.02947	12.8
73.58181	1.3
79.07574	1.5
82.19521	1.4
83.01393	5.0
85.02958	5.3
88.98793	8.0
89.02449	9.1
90.99263	2.0
95.01408	3.4
96.96037	2.0
99.00840	2.9
101.02435	13.0
113.02440	20.6
119.03468	3.2
131.03564	1.5
143.03458	2.2
148.05302	3.6
161.04555	6.3
163.07643	3.9
169.91386	1.6
179.05612	3.6
184.82393	1.8
346.68311	1.6
359.27988	2.1
399.23904	8.9
417.24905	5.0
459.26245	2.1
467.18921	1.9
503.25208	2.1
503.32062	7.3
514.43518	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	503.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17929	0.2
59.01368	0.3
66.24230	0.2
69.42465	1.7
78.95899	18.6
84.88097	0.2
96.96948	1.2
121.86147	0.2
152.99577	18.1
154.51016	0.3
163.19676	0.2
168.04333	1.3
171.00636	5.4
191.89709	0.2
224.06932	1.1
227.03279	0.7
229.19508	0.2
231.21153	10.3
232.21469	0.4
242.08009	2.4
245.04289	33.6
246.04666	0.5
261.22177	0.4
275.20139	15.5
276.20560	1.1
279.23260	100.0
300.13062	0.3
485.30365	0.3
503.24146	12.7
504.24500	0.9
504.30936	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	503.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.0
58.73685	1.1
58.81210	1.0
59.01377	30.5
60.80875	0.9
61.11428	0.9
61.98815	1.9
68.99821	1.8
69.41290	2.7
69.41701	4.5
71.01378	12.3
72.99283	1.0
73.02937	2.8
77.03997	1.6
79.95730	1.1
79.97517	1.1
81.03424	1.2
83.01379	2.2
83.05029	3.3
85.02951	3.6
87.00882	3.8
89.02439	7.0
93.03434	2.0
95.01384	1.3
95.05016	2.2
96.95995	16.2
97.06570	1.3
98.19894	1.9
98.95563	1.8
99.00867	1.2
101.02438	7.0
107.05019	2.5
109.02929	1.9
109.06560	1.2
111.04532	2.1
113.02461	9.0
117.03481	7.9
117.59748	1.0
119.03474	1.8
119.05009	4.3
121.02935	1.7
121.06573	2.4
123.04521	1.0
123.08153	9.5
124.05322	1.1
125.02439	1.6
125.06071	5.5
128.03484	1.0
131.55173	0.9
133.02898	1.6
135.04523	15.0
137.02501	1.1
137.09706	1.3
139.07648	2.8
145.10263	1.4
149.02425	3.3
153.05574	2.4
153.09230	1.1
161.02443	5.8
161.04530	2.9
162.05583	4.0
163.03978	1.3
164.06519	1.1
165.01947	1.5
171.11783	10.1
175.00343	1.3
175.04018	1.6
177.01932	5.8
179.03493	12.7
189.01927	1.1
189.12820	3.2
191.03487	3.0
201.12854	4.2
207.13895	3.0
219.02898	2.2
237.14952	14.6
237.34543	1.0
239.07222	1.1
269.04593	1.7
281.04330	2.6
281.10742	4.0
281.13925	100.0
282.05319	2.1
282.14322	5.1
283.03006	1.6
283.06097	26.5
295.06161	1.5
295.15387	2.4
297.04050	1.2
299.11218	4.6
305.10220	6.6
305.13913	9.8
309.04236	1.8
311.05585	36.6
311.11267	1.5
312.05991	2.3
323.05542	2.1
323.14999	9.1
337.03485	3.5
339.05081	24.6
340.05350	1.4
341.06494	3.0
341.12466	1.4
365.06372	1.3
369.05847	1.4
383.07886	6.3
383.11990	1.1
410.72308	1.3
413.08786	1.3
431.09821	22.2
432.10007	1.3
443.20526	2.2
459.09314	19.6
460.09775	1.3
503.12485	10.4
503.21552	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03450	0.8
58.22530	0.6
59.01377	17.3
69.28452	6.6
71.01389	7.8
72.99339	0.7
73.02959	2.8
75.00861	5.1
83.01400	0.8
85.02929	2.7
87.00874	2.1
89.02431	8.3
91.01882	1.2
93.03443	1.7
93.91570	0.7
95.01361	0.9
95.13293	0.7
96.96008	3.2
99.00862	0.8
101.02449	5.9
113.02420	3.5
117.02002	0.7
117.03455	2.4
119.01386	2.5
119.03471	2.2
119.55057	0.8
121.02966	2.4
121.64385	0.7
129.01918	0.7
131.19745	0.7
132.02148	0.9
134.03712	3.6
135.04500	1.5
135.06647	2.4
137.02434	1.3
147.00862	2.9
147.04492	1.5
149.02419	15.8
152.01225	0.8
160.01637	5.2
161.02499	1.2
161.04526	1.6
162.03360	0.9
163.03958	2.7
164.04779	15.7
165.01900	1.6
165.04041	12.1
165.05385	1.0
174.98813	1.3
175.00346	26.4
175.03937	5.3
176.00902	1.0
177.02002	0.8
177.05655	0.7
179.05646	1.2
179.07135	2.6
181.04990	0.6
189.01863	1.0
190.02702	70.2
191.03235	3.1
193.01418	0.8
193.05016	2.5
201.70038	0.8
205.05037	74.6
206.05600	4.0
208.03781	2.2
209.04477	1.2
221.08183	2.7
223.06090	34.5
224.06403	0.9
235.05969	1.0
237.07664	1.0
239.07579	0.7
250.04770	1.2
265.07111	14.0
269.04700	1.0
281.04364	1.0
283.06125	10.8
284.06479	0.8
295.08514	1.5
311.05554	17.3
312.06088	1.4
323.05450	1.7
325.09375	1.7
341.06448	3.4
367.10077	1.5
383.07782	2.0
399.06903	1.1
431.09744	12.8
503.12006	4.3
503.17712	100.0
504.18121	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	503.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13105	0.6
57.03434	0.8
59.01105	0.9
59.01378	14.9
62.87699	0.6
69.73412	2.4
71.01375	9.4
72.99303	0.8
73.02925	2.5
83.01373	1.3
85.02945	4.0
87.00862	2.4
89.02448	7.1
91.01897	2.0
93.03432	1.2
96.95978	1.2
99.00852	1.2
101.02453	6.4
113.02457	4.3
117.03417	0.7
119.01376	5.2
119.03478	2.1
119.05002	0.7
121.02935	3.0
123.36277	0.6
130.24922	0.5
132.02132	0.7
134.03735	2.2
135.04489	2.1
135.06665	2.9
137.02458	0.7
138.03178	0.8
138.17908	0.5
147.00848	4.2
147.04457	1.3
149.02440	17.3
152.01099	1.4
162.03275	0.7
162.05540	2.8
163.03984	3.0
164.04785	18.9
165.01912	1.6
169.05002	0.7
175.00352	31.3
175.03889	1.7
176.00813	1.0
177.01959	0.6
179.05563	1.4
179.07117	2.4
190.02699	88.9
191.03160	3.4
193.05057	1.0
205.05040	94.0
206.05449	4.1
207.02971	0.7
208.03745	2.1
209.04483	1.6
218.85190	0.6
221.08118	2.3
223.06097	35.2
224.06445	1.6
237.07663	1.4
250.04832	0.8
265.07150	7.4
294.99634	0.6
295.08328	1.0
297.07736	1.1
300.12399	1.8
309.07663	0.9
325.09247	1.2
337.07129	0.9
339.05176	0.9
344.64291	0.6
365.06604	1.4
367.10489	1.5
383.07605	5.5
390.34698	0.6
399.07272	0.9
410.34158	0.7
413.08542	1.0
503.11807	8.0
503.17780	100.0
504.12009	0.5
504.18103	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	503.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96630	0.7
59.01103	1.3
59.01378	15.2
59.49418	0.7
61.98843	0.7
62.82949	0.7
69.03439	0.8
70.87296	0.7
71.01386	4.4
71.55827	1.1
73.02947	2.7
78.40526	0.8
80.56194	0.8
83.01406	1.1
85.02949	1.8
87.00890	1.0
89.02425	4.0
93.03422	1.1
101.02428	2.6
109.02953	1.2
110.20597	0.7
113.02445	2.2
121.02959	3.5
131.03485	2.3
133.02948	2.3
139.03955	0.8
145.02963	2.0
147.04532	2.6
148.05295	1.8
149.04555	6.1
151.00375	0.8
160.05307	1.0
161.04480	0.9
161.06161	0.7
164.04596	0.7
169.14519	0.7
176.04697	1.0
191.03496	3.5
191.07159	3.1
192.04279	1.4
195.08083	1.0
199.90276	0.7
206.05782	0.8
207.08145	1.6
209.06088	1.7
210.37431	0.7
211.07645	2.2
220.03723	0.9
221.06071	2.2
222.06793	1.1
223.07640	3.4
229.18117	0.9
233.06113	1.4
235.07651	2.5
237.05424	3.8
238.04710	1.3
239.07095	7.1
240.04144	0.8
248.04774	0.9
249.05626	3.9
250.06288	3.1
251.07086	14.9
252.07695	1.3
254.05789	2.4
255.02962	9.0
255.06644	8.4
256.03632	1.8
261.05640	1.7
262.06256	2.5
263.07141	8.5
264.07788	3.8
265.05124	2.0
265.08582	2.0
266.05756	2.1
267.06619	29.1
268.07117	1.5
277.04941	1.6
277.08682	0.8
278.05933	0.9
278.09366	1.3
279.06573	21.5
279.09647	1.5
279.26767	0.9
280.06998	1.3
281.08191	1.8
282.08936	14.9
283.02487	5.4
284.03241	14.7
285.04031	15.8
286.04456	1.1
293.04791	0.9
293.08191	2.6
294.05338	9.8
294.08942	8.8
295.06024	10.0
297.04050	1.5
297.08386	0.8
297.11221	4.5
298.04919	2.0
299.02191	1.6
299.05542	12.9
307.06021	4.1
308.06955	2.3
309.07617	11.3
310.08426	4.1
311.05499	2.5
321.07602	1.4
322.08444	6.0
323.05615	23.9
323.09232	2.6
326.07925	10.5
327.08749	1.3
327.12390	1.0
337.07224	1.5
338.07935	23.8
339.08514	0.9
341.10275	64.8
342.10535	3.0
353.10284	100.0
354.10587	4.9
371.11328	28.5
372.11496	1.6
443.05951	4.4
453.37305	0.9
459.13242	1.5
488.09750	1.2
503.12158	7.7
503.24768	2.0
503.32385	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	503.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.6
57.03446	10.4
58.00584	1.5
59.01378	63.7
60.01693	1.0
61.01766	0.7
61.98812	2.0
63.02383	1.9
63.61173	0.6
65.00323	8.6
67.01889	0.9
68.99817	0.8
69.03449	3.0
69.83155	1.4
69.83551	1.2
71.01378	53.0
71.04996	1.2
72.01707	0.9
72.99301	2.7
73.02941	18.9
75.00863	2.3
76.60842	0.6
79.05503	0.7
81.03445	1.8
83.01383	26.9
83.05003	2.0
85.02948	36.9
85.06564	0.8
86.00089	1.7
87.00877	4.3
87.04510	2.3
89.02432	6.0
91.05535	1.3
93.03426	0.8
93.07090	3.9
95.01390	6.0
95.04996	1.6
96.96008	0.9
97.02953	3.2
97.06580	18.0
98.19948	0.7
99.00876	9.8
99.04515	1.8
101.02438	41.2
106.88078	0.6
107.01389	14.6
107.05025	0.6
109.02934	0.8
109.06582	11.5
111.00871	5.0
111.08148	0.8
112.01661	2.7
113.02443	25.8
115.03973	1.4
119.03477	1.6
123.04525	1.2
124.01649	1.5
125.02438	5.3
125.06153	0.6
127.07640	5.8
129.01921	1.2
133.02954	1.0
133.10223	1.1
134.03734	1.5
135.00835	0.7
135.04575	0.8
137.02408	0.8
141.12854	1.6
142.02824	0.5
143.03481	6.1
143.04570	0.9
143.05019	0.8
145.06554	2.2
145.08702	1.1
149.02457	1.4
149.06033	1.3
149.99605	1.2
151.00360	39.8
151.11334	0.9
152.00671	0.8
159.02974	5.3
160.01636	1.6
161.04552	16.5
163.00415	0.9
165.01851	1.0
165.12843	5.3
169.06613	1.6
169.15942	1.3
171.04520	2.6
171.13890	7.5
175.03912	0.9
177.01900	9.5
179.14359	1.3
183.08128	0.8
185.06070	1.0
187.07642	1.0
189.12813	1.5
199.17038	3.9
205.03436	0.6
207.13991	3.8
209.11800	10.3
211.07695	3.0
211.17026	2.2
213.05563	6.7
213.18605	3.5
227.07140	1.3
241.18021	0.9
243.19624	7.5
251.10938	3.0
253.04994	1.1
254.05891	1.1
255.06601	100.0
256.06934	4.1
267.06589	0.8
269.08011	1.0
293.12137	0.6
297.07642	2.2
299.09146	1.3
315.18118	15.5
333.19144	8.2
337.09259	1.2
341.27008	2.6
355.21234	5.4
355.24936	1.3
357.22791	7.4
359.28033	2.7
373.22244	5.0
375.23828	8.6
386.19659	6.0
387.23892	16.0
403.23441	1.1
405.24979	5.6
417.11823	1.9
425.28775	0.9
437.29053	1.1
443.30093	3.0
455.30157	2.2
457.31860	1.1
459.12943	83.8
460.13452	5.6
467.30200	1.8
473.31137	2.4
485.23935	3.6
485.31213	6.5
502.31741	1.0
503.25018	26.2
503.32291	97.0
504.25391	1.4
504.32721	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	503.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.4
61.98824	0.5
63.02362	0.4
65.00311	0.4
65.03997	0.4
70.13885	0.7
70.14288	0.9
73.02944	0.7
77.62263	0.3
83.01366	0.9
85.02943	0.6
88.98724	0.3
89.02448	0.7
91.01869	0.9
96.96002	0.8
99.00902	0.4
101.02443	0.9
107.01397	0.7
109.02973	0.9
113.02429	1.2
117.03453	0.4
121.02944	0.8
133.02940	6.5
134.03735	0.5
135.04509	0.5
137.02400	0.8
145.02914	0.5
149.02419	1.0
151.00381	2.1
163.00345	0.8
170.79736	0.4
175.04015	1.0
177.01889	0.6
183.04625	0.3
189.01859	0.8
197.06076	0.5
199.03920	1.1
201.01872	0.4
211.03928	0.7
213.05400	0.4
219.64618	0.3
224.04897	0.4
225.05513	1.0
227.03477	1.0
239.03479	0.4
241.04936	0.7
253.05034	0.6
255.06729	0.4
256.03778	1.5
265.66403	0.4
268.03906	0.4
269.04523	7.7
270.05096	0.4
281.04541	1.6
283.06027	0.5
284.03235	34.2
285.04010	29.8
286.04404	1.7
297.04025	9.1
298.04391	0.8
299.05569	2.3
309.03970	0.7
311.05579	0.9
327.05072	19.0
328.05389	1.0
329.14005	0.7
353.07083	0.4
383.07791	0.7
399.07175	100.0
400.07449	5.5
406.59167	0.4
431.09906	0.9
443.06384	1.7
503.08163	0.6
503.11087	0.5
503.19385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.1
62.35943	0.4
65.00319	0.8
70.70114	0.5
70.70448	1.1
71.01373	1.4
77.03964	2.5
79.01870	1.5
81.65470	0.5
87.00843	0.5
88.04003	0.6
93.03452	1.9
95.01382	0.6
96.95976	1.5
101.02415	0.6
117.03455	7.6
119.04993	1.4
121.02953	2.5
121.27312	0.4
125.02389	1.0
132.03040	0.8
133.02921	0.6
135.04512	4.6
137.02458	1.1
145.02940	0.8
149.02455	0.7
159.04472	1.7
161.02432	4.0
163.00282	0.7
163.03983	1.6
165.01987	2.8
167.03571	0.9
175.00313	1.0
175.03906	0.6
179.03484	2.0
181.06522	0.9
182.03564	0.9
183.04482	1.8
183.08199	1.3
193.01338	1.5
196.05251	0.6
197.06085	1.2
202.44273	0.5
206.05762	0.5
210.06773	0.7
211.07593	1.3
220.05573	0.5
224.04730	1.2
225.05634	0.8
227.03577	0.5
237.05666	0.6
239.07103	2.8
253.04964	1.8
254.05675	1.3
265.31241	0.5
269.04568	5.0
279.06537	1.0
281.04562	9.0
282.05319	3.2
283.06085	67.2
284.06339	3.1
293.04477	2.1
295.06064	7.4
296.06287	0.8
297.07629	0.6
309.04007	1.4
311.05585	100.0
312.05905	5.5
314.04193	2.5
321.04126	0.7
323.05582	9.8
325.07275	0.7
339.05054	2.4
341.06622	23.6
342.06842	1.2
353.06778	2.4
355.04639	0.9
369.06030	0.7
371.07941	0.6
383.07855	2.3
413.08780	1.8
431.09778	84.3
432.10028	5.0
459.09338	2.0
465.52100	0.5
475.08691	1.9
495.65933	0.6
503.08148	3.1
503.14746	2.4
515.95245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68104	0.3
59.01366	0.7
61.98829	100.0
69.51177	1.8
116.11553	0.2
126.49151	0.3
155.34464	0.3
277.21841	0.4
278.21954	0.3
296.09427	0.2
303.02621	0.3
346.87241	0.3
392.33728	0.3
401.79672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	0.1
59.01102	0.1
59.01379	0.9
61.98808	0.1
62.96379	0.0
69.03426	0.1
71.01380	0.2
78.95902	6.5
80.41604	0.1
83.05021	0.2
83.78920	0.1
96.96960	0.1
113.06087	0.1
121.37517	0.1
127.07632	0.2
141.09224	0.1
152.99562	0.6
168.04305	1.8
171.00642	0.1
173.66704	0.1
182.13130	0.1
194.66566	0.0
203.18097	0.1
205.19595	0.1
214.12209	0.1
224.06937	1.3
233.22733	0.4
242.07979	3.3
243.08347	0.1
257.76483	0.1
259.20694	0.4
275.20139	0.4
277.21698	100.0
278.22034	4.4
359.57755	0.1
502.29385	11.4
503.29633	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74552	0.9
56.30961	1.1
58.40397	0.9
59.01376	86.1
59.95421	0.9
61.98837	1.2
69.34006	1.9
69.34412	8.6
71.01361	3.0
85.02953	2.4
89.02441	2.8
92.85490	1.1
95.46114	1.0
98.62340	0.9
101.02443	3.1
113.02453	4.9
116.18977	1.1
119.03465	1.2
121.32011	0.9
137.25049	1.3
161.04486	1.8
169.39359	1.1
182.06371	1.0
201.25221	1.0
279.23260	100.0
280.23618	4.3
293.24982	2.6
321.24429	2.5
375.27301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49785	0.7
70.18875	2.6
71.67907	0.6
98.20536	1.0
107.10558	0.6
115.08172	0.7
118.75837	0.7
147.08131	1.0
149.09706	24.2
163.11273	100.0
164.11568	2.7
228.43710	0.7
299.99216	0.7
325.21689	29.4
326.21982	1.5
337.21725	14.3
353.54056	0.9
501.33713	92.9
502.34055	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	501.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44931	0.6
57.03456	0.8
59.01376	78.5
60.99303	16.4
69.03443	0.6
69.67451	3.9
71.01382	4.4
73.02943	1.6
83.01408	0.8
85.02946	1.6
87.00874	1.0
88.98800	100.0
89.02441	1.6
98.19969	1.2
99.00839	0.7
101.02424	1.9
107.05027	0.7
113.02425	2.0
124.17014	0.6
148.05258	2.4
149.02350	0.7
149.97615	0.5
150.03198	1.1
161.04567	1.1
161.09706	1.7
163.07614	1.5
173.42822	0.6
175.65198	0.6
187.11182	2.0
189.09218	1.3
205.12228	1.1
251.11267	1.3
277.05243	0.6
462.31558	0.6
501.23715	8.0
501.30206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42087	39.5
88.04047	65.1
94.27981	5.3
96.95982	6.3
98.20679	11.2
103.71173	5.5
115.00389	10.2
128.94536	5.4
132.03018	100.0
134.04689	12.2
189.42683	5.4
250.07184	92.2
257.57947	5.8
345.05887	7.0
501.10437	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	501.1039
Annotation	Puerarin 6''-O-malonate
Peak:m/z	Relative Intensity
59.01380	43.1
59.46894	0.7
60.36916	0.6
64.64070	0.7
65.00341	0.8
69.45368	3.1
69.45783	1.7
71.01379	2.8
73.02950	1.2
77.03957	2.7
79.01882	2.8
85.02927	1.0
96.62184	0.7
101.02445	1.0
113.02451	1.0
119.04932	0.9
121.02945	2.8
143.05006	2.6
145.02924	3.3
165.01891	2.0
167.08514	0.8
181.06602	2.5
194.07407	0.8
195.08063	0.8
223.07649	5.9
237.05525	1.0
238.06371	1.2
239.07108	1.5
249.11432	1.0
253.05055	5.0
263.07016	1.4
265.05023	10.6
266.05658	3.2
267.06607	60.4
268.06964	3.0
277.05084	2.6
279.06665	8.6
293.04736	1.6
295.06097	100.0
296.06369	6.0
298.04825	3.1
305.04559	1.4
306.05151	1.1
307.06088	15.0
325.07156	24.3
326.07446	1.0
337.07196	1.6
361.06961	1.0
379.08209	1.8
397.09286	5.8
415.10297	5.1
457.11404	35.3
458.11716	1.7
501.23312	3.1
501.30533	1.2
519.31219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00469	0.7
53.20607	0.7
53.97852	0.6
59.01376	100.0
61.98830	1.0
91.04016	1.8
99.92432	0.7
230.93871	0.7
316.11066	0.8
365.26962	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	499.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
84.63670	1.2
91.04019	1.5
147.99509	1.6
337.93307	1.4
365.26965	11.6
411.58920	1.3
469.89551	1.6
474.90652	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39067	0.4
51.97566	0.4
59.01377	76.9
69.42899	1.3
69.43327	1.6
72.99325	0.6
85.49310	0.4
90.97143	1.2
113.68068	0.4
118.96739	0.7
123.03873	0.4
132.98201	0.8
134.97078	1.4
157.03590	3.7
159.01474	1.0
174.99240	23.4
192.96164	1.1
201.02538	34.9
202.02661	2.0
217.00282	100.0
218.00633	1.4
234.94688	0.4
250.95174	1.0
271.64297	0.4
276.98242	1.9
292.96252	1.8
334.97366	0.9
343.03699	3.5
359.01443	68.7
360.01611	3.3
500.99408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84101	1.7
59.01376	13.6
59.20890	1.6
61.98829	3.2
71.58489	2.4
71.58875	1.9
85.33545	1.7
96.14858	1.6
96.96015	2.4
165.21512	1.8
178.05205	1.5
183.13840	11.0
195.13887	33.3
196.14177	1.7
211.13397	42.9
213.14934	17.2
282.56888	1.5
315.27136	4.2
359.25919	3.0
377.26797	3.7
407.27960	8.8
425.29053	40.2
426.29391	4.2
499.32794	100.0
500.33160	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3275
Annotation	Daechuine S4
Peak:m/z	Relative Intensity
57.03429	0.5
59.01375	2.6
61.98814	1.1
66.45783	0.3
68.96645	0.3
71.01379	0.6
71.18374	0.8
71.84996	0.4
74.37569	0.4
75.00874	0.4
83.01340	0.4
83.05033	0.5
91.04028	0.5
96.96019	0.5
97.02980	0.4
116.97237	0.4
119.56159	0.3
149.31851	0.3
165.12785	0.4
167.14325	0.6
177.12843	1.0
183.13889	12.6
184.14369	0.5
193.12337	1.0
195.13884	32.6
196.14238	1.2
197.11842	0.7
211.13374	46.7
212.13715	1.7
213.14934	13.1
217.00241	0.4
223.13419	1.1
282.05307	0.7
291.19751	1.4
297.03897	0.5
309.20706	2.9
315.26917	4.1
316.27313	0.5
327.26880	0.8
333.28012	0.5
341.24792	0.6
345.27750	0.6
359.25864	3.7
371.25949	0.9
377.26941	6.4
378.27444	0.5
389.22696	0.4
389.26828	2.2
395.28183	2.1
407.27969	10.3
408.28241	0.7
425.29050	41.3
426.29428	3.2
488.35397	0.4
499.32748	100.0
500.33136	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69279	0.2
59.01377	100.0
60.01710	0.4
61.98822	0.3
70.40823	0.9
71.01384	0.8
73.02951	0.4
85.02969	0.4
96.96004	0.6
101.02470	0.9
113.02496	0.6
117.66601	0.2
147.87180	0.3
161.04623	0.4
166.48056	0.3
272.60635	0.2
293.04611	0.5
336.10095	0.5
397.22452	0.9
439.23367	0.6
455.22855	0.4
499.16592	0.7
499.25278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.1
59.01377	100.0
60.01712	0.6
69.65036	0.9
71.01385	1.1
72.64251	0.2
73.02959	0.3
73.37285	0.1
82.69565	0.1
83.01384	0.2
85.02978	0.5
85.42249	0.1
88.69749	0.1
88.70409	0.1
89.02451	0.2
96.96035	0.5
101.02442	0.6
113.02455	0.6
119.59224	0.1
161.04576	0.8
397.22296	1.1
432.95416	0.2
439.23367	1.5
439.28830	0.2
467.57230	0.1
499.18713	0.2
499.25415	1.2
519.17957	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	499.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01375	100.0
61.98800	0.4
63.86300	0.4
69.41096	3.2
71.01376	3.9
72.69515	0.4
72.99274	0.5
77.00324	0.4
81.05545	0.4
85.02962	1.4
89.02447	2.1
95.01357	0.7
101.02431	3.0
113.02429	5.1
119.03502	1.7
143.03516	0.7
152.99573	0.8
161.04552	1.7
205.15880	1.1
213.14989	0.4
221.06589	0.5
271.22690	1.5
277.21683	87.2
278.22028	4.1
291.23248	2.2
302.44730	0.4
319.22675	2.5
499.30408	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	499.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	32.7
61.98837	1.1
68.00928	1.0
69.65468	0.9
71.00996	1.6
71.01377	15.7
72.99303	1.4
73.02957	2.4
80.26390	0.9
83.01365	1.1
85.02946	3.9
87.33199	0.9
89.02444	6.3
97.48979	0.9
98.19868	3.2
99.00872	2.0
101.02448	6.5
108.71937	0.9
113.02436	7.2
114.52322	0.9
117.03451	3.8
119.03531	2.2
119.05040	1.1
121.02966	1.2
125.02410	1.1
126.96336	0.9
129.57617	1.0
132.02155	1.4
133.02977	8.1
134.03737	53.2
135.04588	5.0
136.01645	1.9
137.02409	2.1
143.03542	1.2
145.54802	0.8
147.04503	9.6
148.05289	30.9
149.06073	13.9
151.03951	1.6
158.03712	2.5
160.01648	15.3
161.02400	3.2
161.04504	1.5
163.07634	32.0
164.04813	1.0
173.06021	4.4
174.03192	1.3
175.02594	0.8
175.03989	24.2
176.04773	34.4
177.01953	4.8
177.05392	1.6
178.02649	6.9
191.07127	46.8
192.04260	3.3
193.05043	64.0
194.05232	1.9
207.06601	16.8
217.05138	1.5
220.03809	5.9
220.05600	1.0
221.08286	1.5
235.06100	94.3
236.06395	2.4
239.37289	0.9
249.07605	1.2
265.07175	15.3
267.07443	1.0
295.08228	18.1
296.08676	1.2
323.13425	17.9
340.10071	0.9
355.10211	1.8
413.01120	1.0
457.17270	4.7
499.18173	100.0
500.18304	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	499.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	99.1
59.01377	94.3
61.98818	1.5
65.00391	0.9
69.51340	7.5
71.01376	4.0
73.02934	1.3
81.03448	3.4
83.01411	1.3
85.02957	2.0
89.02452	1.4
96.95998	4.2
99.04515	100.0
100.04862	1.5
101.02445	16.6
109.02924	3.1
109.81769	1.0
113.02444	3.1
116.92850	3.2
117.03481	0.9
117.10370	1.1
125.01513	2.0
125.02438	38.6
142.20219	1.1
143.03455	2.3
153.01877	1.7
153.39851	0.9
161.04510	2.9
168.99385	0.9
217.01395	1.5
269.10379	1.8
301.07135	1.4
307.05963	2.9
311.11224	1.5
335.07657	1.0
336.34912	1.0
351.05084	1.1
499.08691	11.4
499.17188	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	499.182
Annotation	Rolapitant
Peak:m/z	Relative Intensity
53.82537	0.6
59.01378	56.8
59.23116	0.6
61.98833	0.7
65.26727	0.6
71.01384	8.2
72.99263	1.0
73.02907	2.3
75.00865	0.8
77.51768	0.6
80.91650	1.0
83.01381	0.8
85.02937	1.7
89.02438	4.5
95.01378	0.9
99.00826	0.7
101.02425	5.2
102.05578	0.9
111.00838	0.9
113.02468	4.5
117.03472	4.5
119.03485	2.7
119.04987	0.7
121.02937	1.1
123.04501	0.7
128.03526	0.9
132.02139	1.3
133.02956	7.4
134.03740	53.1
135.04555	5.9
135.08148	1.0
136.01648	1.9
137.02400	1.9
147.04524	11.8
148.05324	7.4
149.06085	11.5
151.03975	2.5
153.05603	0.8
158.03735	5.0
160.00439	1.1
160.01656	12.6
161.02475	4.3
161.04521	1.7
161.08186	0.9
162.03160	0.9
163.03975	2.2
163.07613	1.7
164.04739	1.9
173.06053	5.7
174.03186	2.1
175.02582	1.0
175.03987	22.4
176.04773	32.7
177.01941	6.3
177.05466	2.0
178.02673	6.7
178.19891	0.6
187.07510	0.7
189.05557	0.8
191.07129	46.3
192.04263	4.5
192.07553	1.3
193.05049	67.1
194.05363	1.2
207.06607	18.3
208.06950	0.9
209.51707	0.7
217.05003	1.8
219.06554	0.7
220.03729	7.0
225.05426	0.8
235.06099	100.0
236.06555	3.5
242.40541	0.8
265.07144	18.1
278.94202	0.6
281.04456	4.5
293.04562	4.0
295.08197	19.4
296.26385	0.6
301.07108	2.3
323.13455	17.5
323.17111	1.2
324.14188	0.7
328.36993	0.8
336.09921	5.6
337.10699	0.9
345.22821	0.9
355.10294	1.4
371.91470	0.6
381.17215	0.7
461.17828	0.6
463.12015	0.8
499.18134	94.6
499.33118	1.9
500.18375	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	498.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12509	0.6
59.01378	34.5
60.01704	0.9
61.98830	4.9
66.03477	0.7
70.43118	2.4
71.01383	9.8
72.99285	0.8
73.02940	1.8
82.02959	3.9
83.01383	0.9
85.02937	2.0
85.04072	28.8
86.02463	1.1
86.99107	0.7
87.05643	7.8
88.04031	4.8
89.02423	2.4
89.88391	0.6
97.04031	0.8
101.02430	2.6
102.00180	4.9
107.06158	0.7
109.04066	1.3
111.02007	1.5
113.02444	2.3
113.03582	1.2
119.02824	2.4
123.04457	0.8
127.05131	8.2
128.03540	60.1
135.04608	1.3
135.05637	4.2
145.06171	2.5
152.08319	4.4
153.06683	3.2
157.06187	39.5
159.07744	2.4
161.04572	0.8
166.06181	2.3
174.00870	1.1
174.02295	12.3
178.06221	2.3
179.04630	5.4
184.04807	1.3
184.07391	1.5
185.05582	1.0
191.04930	3.1
196.07281	7.5
197.05666	1.7
214.08319	1.2
224.10378	2.1
231.09808	0.8
240.51938	0.8
242.11287	0.8
248.07158	0.9
249.11035	1.3
264.12833	0.8
267.07242	1.5
268.09460	5.6
286.10428	19.2
288.19794	1.6
302.08066	5.9
320.09183	100.0
321.09433	3.6
406.23773	1.8
424.24887	1.1
446.24152	0.8
466.18808	0.7
477.23972	1.2
498.22760	8.1
498.74860	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	497.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25187	1.1
56.84977	1.3
57.03447	2.9
58.00581	2.0
59.01378	47.3
61.98824	10.6
64.34848	1.0
69.03439	2.0
70.18406	4.9
71.01379	50.5
72.99310	2.8
73.02940	11.5
81.03425	1.5
83.01403	6.4
85.02953	14.7
85.89715	1.0
87.00871	4.9
87.24390	1.1
89.02441	41.9
94.06621	1.5
95.01377	2.0
96.96010	2.7
97.02940	2.0
99.00903	5.5
101.02437	28.2
111.00887	4.4
113.02433	12.5
119.03519	2.5
122.06104	1.2
125.02454	8.2
126.52381	1.1
131.03503	18.7
135.04514	10.5
137.02399	1.2
143.03474	3.7
143.10779	5.0
149.04544	24.6
155.39601	1.0
159.03043	1.9
161.02438	2.3
161.04559	8.1
162.05582	4.1
166.05101	10.8
179.03464	12.8
187.06276	1.9
191.05589	6.8
195.06552	1.4
210.04106	6.7
233.06648	5.1
251.49527	1.2
252.04990	1.2
271.02786	1.3
293.08749	8.3
300.12372	2.4
305.16006	10.3
311.05377	1.2
327.13702	1.3
335.07709	6.2
339.13364	2.2
357.14471	2.8
372.09409	10.6
401.13632	1.7
431.10126	1.3
437.20230	100.0
438.20819	6.6
461.15527	6.9
462.17484	1.8
497.12213	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	497.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03444	3.4
58.00577	1.5
59.01379	36.6
61.98825	7.2
67.42052	1.1
69.03468	1.7
69.37251	7.4
71.01003	2.5
71.01379	37.4
72.01702	1.1
72.99305	11.7
73.02950	11.4
75.00861	1.5
81.03461	1.3
83.01390	5.5
85.02945	16.1
87.00848	2.9
89.02438	27.9
93.48901	1.1
93.97594	1.1
95.01389	1.7
96.96009	3.4
97.02940	2.0
99.00899	3.7
101.02440	20.6
111.00880	5.1
113.02451	9.7
114.66431	1.2
119.03506	2.3
125.02435	5.2
131.03497	12.2
135.04555	2.1
143.03474	1.4
143.10786	2.6
149.02472	2.8
149.04570	6.7
150.03226	11.1
151.03987	2.7
159.03036	1.3
161.04546	6.3
161.31200	1.2
162.05632	11.0
164.04718	1.2
165.05554	8.9
166.02744	4.8
166.05003	1.8
179.03514	2.7
181.05067	6.6
191.05498	2.5
195.06558	3.7
233.06702	2.9
274.64124	1.1
282.41113	1.2
287.14532	1.2
293.08777	4.5
299.05582	2.3
300.08582	4.2
300.12387	7.8
305.16025	14.6
335.07617	1.4
429.84808	1.4
437.20245	100.0
438.20731	5.6
462.17715	5.2
497.16632	26.5
498.17099	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	497.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.2
61.98819	1.8
69.37999	1.5
69.38400	5.3
71.01389	0.9
79.61948	0.7
83.82382	0.7
85.02934	0.9
89.02391	0.8
96.96008	13.7
98.19923	1.8
101.02473	1.1
109.56377	0.7
113.02464	1.2
123.84312	0.7
133.02980	1.0
134.03746	1.2
149.02405	1.7
161.02396	0.8
163.00371	1.6
165.01982	0.8
176.01160	1.0
180.70116	0.8
191.03482	1.0
241.05058	1.6
252.89809	0.8
269.04315	0.9
270.05203	1.5
284.03265	1.5
285.04080	1.5
296.03210	2.1
297.04065	14.3
298.04803	99.9
299.05240	4.9
308.03329	1.1
309.04010	2.2
310.04977	0.8
311.05475	1.7
313.03662	1.2
313.07001	3.6
323.05551	1.1
326.04230	4.5
330.03879	1.7
341.06628	92.7
342.07001	4.0
353.06750	1.4
371.07693	4.5
461.10873	100.0
462.11230	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	497.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.0
59.01373	3.0
61.98829	17.0
64.68955	0.7
69.66202	0.7
71.01376	1.6
71.57266	0.9
72.99304	39.8
73.02950	1.4
73.53167	0.7
82.51019	0.7
83.01381	1.4
85.02958	1.4
88.98840	0.8
89.02423	0.9
93.03463	1.8
96.96008	3.4
99.00866	0.9
101.02418	4.4
108.73579	0.8
109.03020	1.0
110.06124	1.0
111.80514	0.7
119.03522	1.0
119.05013	0.8
119.37572	0.7
121.02977	1.6
122.03723	2.3
122.62674	0.8
123.04475	2.0
125.02465	0.8
133.02943	0.8
135.04523	7.0
138.05606	2.9
140.68005	0.8
140.69101	0.7
148.97281	0.7
149.02399	7.4
150.03227	28.1
151.00392	4.0
151.04022	6.7
161.02473	3.9
162.03256	0.7
162.05571	2.2
163.04039	1.2
164.04790	2.4
165.04150	1.6
165.05562	32.6
166.02722	17.0
166.38217	0.8
175.02458	1.2
176.04790	2.4
177.02057	0.9
179.03481	6.7
180.04337	3.6
181.05058	23.1
188.87807	0.8
191.03577	0.9
191.07150	1.2
192.04265	1.6
194.05862	2.6
195.06606	9.3
206.05835	1.1
207.06699	1.6
209.08189	3.4
235.05966	1.3
243.11279	1.2
273.12442	1.1
282.05420	1.4
283.08353	5.4
300.08499	6.2
300.12265	2.2
315.67374	0.8
317.11383	1.0
329.10287	1.1
335.07709	2.6
335.12497	3.8
431.13879	4.3
447.09204	1.5
465.13626	1.3
479.15707	4.6
497.16705	100.0
498.16968	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	496.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	34.7
60.01698	1.2
60.71485	1.3
61.73372	1.1
61.98829	16.9
67.19550	1.0
70.93893	2.0
70.94214	1.2
71.01377	9.4
72.99286	1.2
73.02950	3.4
82.95442	1.0
83.01364	2.2
85.02932	2.5
89.02438	1.6
89.31895	1.1
101.02420	6.5
112.98536	1.5
113.02451	3.8
114.02721	1.1
124.08542	1.1
125.02412	1.5
137.02432	1.4
144.04514	4.7
146.06157	1.6
152.08257	1.9
153.08730	1.2
160.03983	1.6
161.04660	3.3
162.05655	1.7
172.04059	2.4
173.04791	1.7
174.05586	2.1
182.08463	1.2
196.85921	1.3
203.05869	1.6
204.06612	5.4
212.05864	6.5
221.73465	1.1
225.06673	2.8
226.12280	1.2
237.10274	5.5
239.08209	3.6
240.09067	2.2
251.11783	3.1
252.12646	4.0
253.06149	6.3
253.09805	4.2
255.11295	3.1
263.33969	1.2
266.07101	2.4
267.07724	9.9
267.10947	2.2
268.08493	3.5
268.12125	2.9
279.07605	3.0
279.11258	1.5
280.08551	2.6
281.09286	13.1
284.11749	1.3
285.08768	3.5
295.10852	4.3
296.11600	17.9
297.12323	1.6
299.10248	4.1
313.11920	4.9
327.13385	1.6
328.10547	7.0
328.14099	1.9
340.10666	1.3
355.13269	1.6
360.13095	2.1
376.20581	1.3
392.19934	1.3
420.19189	17.6
421.19690	1.7
421.87216	1.3
436.24258	2.4
446.17169	2.7
452.22018	2.8
453.22107	1.4
464.18253	15.4
466.20810	1.2
478.19711	2.3
496.20831	100.0
497.21204	6.3
497.30627	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	496.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.0
61.98522	0.9
61.98824	8.5
67.23939	0.6
70.29077	0.6
71.01373	3.5
71.56883	0.7
71.57224	0.7
72.05280	0.6
73.02943	2.0
73.09644	0.6
79.24483	0.7
83.01363	0.9
85.02943	1.4
89.02442	0.9
93.03455	1.0
101.02434	2.1
105.12205	0.6
111.68473	0.7
113.02433	2.3
122.06119	1.1
125.02406	2.0
137.02522	0.6
144.04543	4.1
146.06094	0.7
150.05624	1.1
160.04041	1.2
161.02431	0.9
161.04707	2.1
172.04039	3.5
173.04788	1.6
174.05618	1.1
176.03514	0.8
188.03491	1.0
189.04257	0.8
190.04912	0.6
199.23657	0.7
203.05824	2.0
204.06647	5.0
205.03819	0.7
212.05873	5.7
220.40982	0.6
225.06664	1.4
227.11867	1.0
228.12685	0.8
237.10361	5.2
239.08205	3.5
240.08987	1.3
251.04483	1.2
251.11832	2.6
252.10333	0.9
252.12602	4.3
253.06287	4.1
253.09795	4.4
254.10680	0.9
255.11374	2.0
266.06967	2.8
267.07663	8.0
267.11325	1.9
268.08609	3.1
268.12094	3.2
269.12918	2.2
274.15009	0.6
279.07916	1.5
279.11209	1.1
280.08600	2.5
281.09253	13.4
284.11728	1.1
285.08817	1.9
294.10138	0.8
295.10785	6.5
296.11627	17.0
297.12180	1.9
298.09531	0.7
299.10257	2.8
300.07407	0.9
300.10739	1.3
311.10315	0.8
313.11923	4.6
322.09830	1.0
327.13437	1.5
328.10522	5.2
328.14127	1.5
340.10565	2.3
372.13254	1.5
376.20172	1.3
418.17795	0.9
420.19278	15.1
446.17068	2.1
452.21826	2.9
464.18219	16.9
465.18521	1.7
478.19888	2.5
496.20856	100.0
497.21405	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2962
Annotation	Turkesterone
Peak:m/z	Relative Intensity
51.84946	0.7
55.93296	0.7
56.36461	0.7
57.03433	1.4
57.15216	0.6
59.01376	6.8
61.19686	0.7
61.26929	0.8
61.98828	1.3
65.03940	1.2
68.85091	0.8
69.03448	0.9
69.33174	0.7
69.82379	1.5
69.82772	1.6
71.01371	1.0
73.73525	0.7
79.05534	1.0
83.05023	6.2
84.98592	0.7
85.06570	3.0
91.04005	1.4
91.05540	0.8
95.05038	1.4
97.06579	4.7
105.07110	1.1
107.05019	1.2
107.08706	1.2
109.06573	2.5
111.08158	4.1
115.78419	0.7
119.05014	1.1
119.08646	0.7
121.10300	1.1
123.08164	2.8
125.09712	17.9
133.06535	0.8
135.08124	0.8
137.09685	1.5
153.09299	0.7
159.11761	0.8
163.11284	1.7
171.10271	18.3
177.09114	0.8
183.13861	1.7
185.11807	2.7
187.14842	1.9
189.12834	0.7
189.16469	3.2
197.13364	0.7
201.12827	1.1
205.15947	4.1
207.13867	1.6
209.11841	3.3
211.13342	14.2
212.13666	0.8
213.14923	1.5
215.14366	7.4
219.10326	0.7
221.15562	3.9
231.13831	3.5
233.15443	75.3
234.15749	2.7
235.13332	1.2
235.17241	0.9
237.14948	0.9
239.16499	1.2
249.14929	18.0
251.16551	4.1
257.17496	1.2
283.19226	0.8
300.85214	0.8
323.23813	1.4
331.26315	4.5
341.24860	5.2
357.24213	1.6
359.25961	2.9
367.22659	3.0
375.25583	4.2
377.26862	1.6
385.23785	20.2
386.24313	1.0
393.26245	3.1
403.24841	53.0
404.25262	3.3
421.25900	45.4
422.26169	3.2
475.74179	0.9
477.28552	92.0
478.28903	6.4
495.29602	100.0
496.29941	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	496.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98828	100.0
64.18102	0.3
65.96655	0.2
71.01395	0.4
71.57150	0.3
72.99303	0.3
79.09132	0.2
88.98793	0.5
89.87348	0.2
96.96043	0.7
98.57317	0.2
120.01253	0.4
135.04538	0.7
137.01486	0.2
137.02405	1.4
138.02751	0.5
165.05600	0.4
165.67838	0.2
167.62456	0.3
175.02341	0.2
179.03494	1.2
181.05051	0.3
186.16090	0.3
212.61533	0.2
335.07703	0.6
496.15933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2961
Annotation	Polypodine B
Peak:m/z	Relative Intensity
57.03436	1.6
59.01380	10.9
61.98822	1.2
65.03957	0.8
69.03447	1.2
69.81528	1.0
69.81944	2.1
71.01373	2.1
71.05009	1.7
79.36540	0.5
81.03436	1.3
83.05023	6.0
85.06582	2.9
89.02430	1.6
91.04015	1.4
95.04990	1.2
96.96001	0.6
97.06573	3.0
98.19891	0.6
101.02464	0.6
105.07084	0.7
107.05009	1.6
107.08665	0.7
109.06585	2.6
111.08146	5.4
119.05019	1.6
119.08672	0.6
119.93532	0.5
123.08218	1.1
125.09710	9.5
133.06596	1.1
135.08128	1.5
137.09721	2.0
149.09669	0.9
151.11334	1.4
153.09236	0.7
159.11765	0.8
167.10718	1.0
171.10257	39.8
172.10579	0.6
175.11159	0.7
183.13939	0.9
185.11867	1.6
187.14885	2.1
189.16486	1.4
193.12315	0.7
201.14954	1.0
203.14397	1.0
205.15977	6.8
207.13835	2.4
209.11795	3.0
211.13409	4.5
213.12904	1.3
215.14384	2.3
221.15465	3.9
231.13890	5.8
233.15451	25.6
234.15825	1.7
235.13365	1.7
235.16994	0.6
237.14890	0.8
239.16560	1.2
249.14935	20.6
250.15248	0.8
251.16444	1.7
252.13541	0.7
257.17566	3.1
261.53821	0.6
269.17581	0.7
283.19135	1.9
291.16455	0.7
291.19711	0.8
310.10123	0.6
315.26691	0.7
323.18747	0.7
323.23535	0.8
331.26297	2.9
339.23239	0.7
341.24762	4.1
357.24414	2.1
359.25943	2.8
367.22678	1.8
375.25043	3.0
377.26898	2.8
385.19315	0.9
385.23807	11.2
386.24619	0.7
393.26563	2.1
403.24841	41.0
404.25107	2.1
421.25925	59.7
422.26352	4.5
467.30121	1.1
477.28568	24.2
478.28848	1.1
495.29620	100.0
496.30029	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	495.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01716	1.1
61.98824	1.7
69.03449	1.0
70.94051	2.3
71.01374	23.5
73.02943	35.7
83.01385	6.9
85.02940	2.4
87.00847	1.1
87.76367	0.9
89.02454	6.6
95.01389	1.7
101.01789	2.2
101.02441	37.4
112.75953	1.1
113.02452	11.8
119.03490	4.5
125.02441	1.2
131.03485	4.4
141.01723	1.1
143.03493	4.5
149.04541	5.8
161.04539	12.9
203.05612	1.9
221.06630	4.3
373.22284	1.3
495.18921	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	495.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98808	1.8
69.38126	3.3
69.38555	3.5
71.01385	11.3
72.99317	1.1
73.02944	3.7
78.95953	0.9
83.01389	1.2
85.02956	3.4
89.02441	7.8
90.31691	0.8
95.01380	1.1
96.96001	3.3
98.20606	1.6
99.00906	0.9
99.38660	0.8
101.02431	7.5
113.02453	5.0
119.03523	2.6
161.04559	3.6
197.83899	0.9
226.51031	0.9
355.21265	3.7
373.22168	9.7
375.70105	0.9
415.23300	21.2
416.23489	1.3
495.28464	1.2
524.44666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
61.41602	0.2
61.98828	100.0
70.69987	0.6
71.01373	0.2
76.02952	0.2
98.20602	0.2
154.65688	0.2
163.93066	0.2
203.86037	0.2
240.14108	0.2
245.97545	0.2
270.08542	0.5
276.90933	0.2
283.06052	0.3
311.05527	0.5
348.22589	0.2
417.73102	0.2
431.10007	0.6
457.26822	0.2
509.58609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.2
60.01711	0.2
61.98827	100.0
69.43967	1.6
71.01373	0.7
73.02934	0.5
83.01413	0.3
88.27898	0.2
98.19949	0.4
99.04537	0.5
101.02454	0.4
113.02463	0.3
125.37730	0.2
207.13879	0.4
209.11792	1.1
251.12550	0.2
269.13919	3.4
270.14398	0.2
311.05740	0.3
341.16226	0.4
371.17178	0.3
431.09787	0.3
431.19128	4.2
432.19614	0.3
452.30075	0.2
498.17438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
59.01379	100.0
60.01708	1.0
60.90602	0.6
61.98830	2.0
69.17872	0.6
71.01371	9.6
71.58804	0.9
72.88710	0.5
73.02946	5.0
83.01396	2.0
85.02960	2.8
89.02422	6.7
96.96002	3.2
99.00830	0.7
101.02440	8.9
104.98902	0.6
113.02471	5.2
119.03524	2.1
135.03036	0.8
141.01649	0.7
149.04614	1.0
161.04599	2.3
185.47447	0.6
196.65421	0.8
202.34515	0.6
272.26041	0.7
283.02524	0.9
355.21225	4.2
373.22247	10.3
415.23370	19.1
416.23593	1.6
495.30283	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	494.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92082	1.3
59.01369	3.8
61.98826	35.6
65.98050	1.2
69.20627	12.8
69.21011	2.3
100.70697	1.5
105.03420	1.7
117.03474	6.4
123.46336	1.4
135.04532	2.5
149.02432	2.1
152.46951	1.3
161.02399	3.4
163.04018	2.6
225.05560	1.5
239.07025	1.8
268.03748	2.1
269.04578	2.1
281.04565	3.5
282.05200	2.8
283.06104	45.4
284.06552	2.3
311.05615	73.4
312.05951	1.8
323.05548	3.8
341.06738	7.9
431.09772	100.0
432.09964	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54808	0.3
59.01380	1.4
61.98829	100.0
70.26170	1.0
71.01385	0.6
73.02946	0.3
75.00880	0.8
79.01881	0.3
85.02974	0.3
95.62058	0.3
96.95997	2.0
109.02930	0.3
117.03444	0.3
125.02417	0.3
165.01930	0.5
177.01796	0.3
194.22905	0.3
195.57599	0.3
198.44217	0.4
206.24925	0.3
248.78346	0.3
255.03011	0.6
256.03391	0.6
269.04514	1.0
270.04947	0.4
271.05392	0.4
272.05569	0.4
283.06152	2.2
311.05612	4.5
341.06732	0.7
376.42340	0.3
431.09811	5.2
476.12689	0.6
493.30463	1.5
494.31128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90868	0.5
55.01878	4.4
57.03442	3.9
58.00595	1.6
59.01377	100.0
60.01718	0.8
61.01801	0.8
61.98817	4.3
69.03459	3.0
70.59843	1.1
70.60215	1.0
71.01379	65.9
71.05032	0.7
72.99306	4.1
73.02942	32.8
75.00866	2.5
81.03457	1.2
83.01384	21.0
84.02158	0.7
85.02946	34.4
87.00864	6.4
89.02444	10.2
91.52380	0.5
93.03459	0.9
95.01389	5.8
97.02952	5.1
99.00873	12.1
99.04545	0.9
101.02437	65.9
102.02816	0.8
111.00877	2.3
112.01681	0.6
113.02445	30.1
114.03212	1.4
115.04045	0.9
119.03512	4.3
125.02435	8.5
127.04052	0.8
127.11282	2.5
129.01959	1.7
131.03493	0.9
135.03014	1.0
137.02458	1.2
137.09674	0.6
141.01917	0.6
142.02756	0.6
143.03500	9.8
149.04584	0.8
155.03490	1.5
159.02965	3.9
161.04543	26.0
167.10823	0.7
171.04544	0.6
179.05559	2.2
182.08698	0.7
186.15434	0.6
203.05603	1.7
211.13499	0.7
211.68799	0.5
228.49368	0.6
275.07645	0.5
289.16562	36.6
290.16891	1.2
305.08627	2.8
331.17642	10.8
355.17664	2.4
385.18552	1.0
410.44287	0.5
431.09470	0.8
433.20685	12.2
451.21805	76.1
452.22122	5.6
493.22781	12.7
493.30142	5.5
494.23288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2112
Annotation	Glaucarubinone
Peak:m/z	Relative Intensity
59.01378	8.5
61.98772	0.6
69.46774	3.8
69.73403	0.6
75.09521	0.5
90.97136	2.8
101.02399	0.6
118.96642	1.2
132.98201	3.0
160.97638	1.0
165.12823	1.1
174.99240	4.3
181.12230	0.9
183.13884	14.6
227.12849	1.2
229.03938	0.6
231.05519	0.5
233.04950	0.6
235.06445	0.7
253.08403	1.8
255.09079	3.1
257.10736	5.0
265.08435	7.6
279.09106	0.7
283.08630	8.6
297.10223	3.9
299.11700	9.0
301.09644	1.1
313.09573	0.7
317.42188	0.6
327.07590	0.7
343.10672	0.5
353.16565	0.6
367.18008	1.5
401.20090	1.4
403.21124	1.2
413.19913	0.8
419.21030	2.1
421.22699	4.9
423.24008	2.5
431.21127	11.3
432.21216	0.9
449.22290	4.5
462.16602	0.6
465.21625	0.6
475.20032	11.9
476.20749	0.9
493.21155	100.0
494.21497	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	493.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.01971	0.6
57.03450	1.5
58.00593	0.6
59.01377	31.6
61.98844	0.4
64.07786	0.5
69.03447	0.8
69.72974	0.7
69.73382	2.0
71.01379	18.2
72.99295	0.8
73.02960	3.9
75.00871	0.5
83.01399	2.3
85.02957	4.3
87.00892	0.7
89.02444	13.0
95.01362	0.6
97.02940	0.8
97.06593	0.5
99.00884	1.4
101.02439	13.6
111.08160	1.7
113.02441	7.6
119.03487	4.4
121.05063	7.4
125.02454	0.6
131.03426	0.6
143.03499	1.8
148.05240	0.6
161.04538	3.1
165.12836	13.8
179.05600	1.4
183.13887	49.7
184.14214	1.3
195.13911	0.6
197.15466	7.8
207.13960	1.1
209.11826	1.9
225.14943	1.2
227.12866	6.6
236.06126	0.4
265.09479	0.9
283.10315	8.6
289.23849	0.6
336.41684	0.6
343.70267	0.5
391.23517	0.5
433.28067	4.5
451.22473	0.5
451.28986	1.7
475.21588	0.6
493.22882	100.0
494.23157	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	493.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.5
59.01377	100.0
60.01701	3.3
61.01786	2.9
61.98814	3.0
63.51226	0.9
69.47212	5.2
69.47612	1.9
71.01373	17.0
72.99281	1.4
73.02949	18.5
75.00875	3.6
76.89790	1.0
83.01395	5.7
83.04971	1.1
85.02941	3.6
88.69032	1.1
88.98802	2.2
89.02442	3.5
95.01401	1.1
96.95985	2.5
98.20682	2.0
99.00869	1.3
101.02433	18.9
109.02959	1.0
113.02464	6.9
119.03510	2.4
123.04528	8.8
125.02461	1.3
129.01906	2.9
131.03471	1.9
137.02518	1.0
143.03485	1.9
149.04559	2.3
153.05566	8.4
155.10770	1.5
161.04526	6.5
203.05704	1.2
221.06644	1.2
255.02873	1.9
271.10583	1.7
311.05759	1.4
341.06461	2.0
391.22119	1.1
413.21698	1.6
431.09390	1.1
433.23553	1.5
493.23355	2.3
493.29944	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	493.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
57.03450	5.1
58.00570	1.0
59.01375	100.0
60.01704	2.3
61.01783	1.5
61.98824	28.4
69.50491	6.2
71.01377	14.1
72.99300	3.9
73.02956	5.2
75.00877	5.9
78.94611	1.0
81.41809	1.1
81.87763	1.1
82.25323	1.0
83.01385	1.9
83.88869	1.0
85.02944	5.1
87.00865	1.2
88.98792	2.2
89.02438	5.7
93.03429	1.8
95.01389	2.4
96.96001	4.5
97.73966	1.0
98.19853	1.4
99.00922	1.7
99.04507	2.2
101.02425	10.8
108.02157	2.9
109.02964	6.4
113.02456	6.3
116.92914	1.0
117.03580	1.1
119.03484	1.1
121.02947	2.3
123.04547	5.6
125.02409	2.6
129.01920	2.2
134.61823	1.1
135.04527	1.5
137.02423	4.8
143.03448	1.5
147.00818	2.1
149.02408	5.5
151.00377	1.0
151.04050	6.9
152.01152	1.5
154.99857	1.2
161.04524	3.7
163.04022	2.2
164.04745	4.8
165.01865	4.6
171.10205	1.6
175.00351	13.9
178.56493	1.0
179.03412	4.5
179.06973	1.2
182.05327	1.4
183.10167	1.8
190.02716	35.8
201.11238	1.3
203.05539	1.7
205.05037	52.6
206.05360	1.8
211.04085	1.2
223.06195	5.8
243.06734	1.3
247.79410	1.1
251.05347	1.2
256.03702	8.3
268.03653	4.2
269.04489	2.1
270.04642	1.5
271.05984	7.7
271.19095	2.3
283.06009	2.2
289.07217	7.2
311.05463	3.0
345.22775	3.0
371.20654	2.1
372.21069	1.6
373.22278	7.8
391.23328	3.5
413.22049	1.4
413.28748	2.5
427.13202	1.2
431.09695	8.9
433.10651	1.3
433.24167	9.6
442.14465	2.1
457.17139	79.2
458.17505	6.5
493.12827	6.0
493.23267	2.1
493.29840	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	493.184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01374	100.0
60.01721	2.0
61.01792	1.3
61.16380	0.7
61.98825	8.3
63.40204	0.6
69.39741	5.4
71.01379	11.9
73.02936	5.1
75.00873	2.0
83.01374	1.6
85.02947	3.7
89.02436	3.5
99.00887	1.1
101.02422	6.4
108.41692	0.7
113.02431	5.0
119.03522	1.6
137.02502	1.1
161.04593	2.4
203.05620	2.0
207.13890	1.4
212.70311	0.8
236.64679	0.8
255.84834	0.7
258.81158	0.7
311.05905	0.9
331.25034	1.1
332.11761	0.7
357.18381	0.8
371.20898	2.7
373.21753	1.6
400.04141	0.8
413.21710	6.4
433.23322	1.0
433.28427	1.8
451.29059	1.9
493.29541	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	492.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94690	0.8
57.03424	0.9
59.01366	4.5
60.01662	0.8
60.02008	0.8
61.98823	2.6
70.76810	2.0
70.77144	1.1
78.95910	9.3
80.26332	0.9
82.09924	0.8
96.96011	0.9
101.81754	1.0
113.09736	1.6
140.01184	3.0
140.07980	1.4
148.05310	8.7
149.05620	3.9
152.99603	1.2
163.07663	6.1
164.07933	4.3
166.99098	0.9
179.14465	1.3
195.13908	19.3
214.04875	3.4
249.18570	1.5
277.21704	14.5
294.29138	0.9
295.22769	100.0
296.23129	7.1
325.20132	1.3
333.69196	0.9
368.06366	1.0
492.20020	1.6
492.27301	33.6
493.27911	2.1
503.96234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03458	1.2
59.01377	100.0
59.59824	0.5
60.01716	1.6
61.01810	0.7
61.98823	8.2
63.76111	0.4
69.03479	0.7
71.01379	13.5
71.55896	0.7
72.99312	0.9
73.02940	7.7
75.00861	2.8
82.66520	0.5
82.81206	0.5
83.01385	3.2
84.99995	0.5
85.02938	4.9
87.04519	1.3
89.02431	4.2
91.04669	0.4
95.01381	0.8
96.96014	0.7
99.00918	1.1
101.02442	9.2
102.02732	0.6
109.02958	2.1
113.02447	6.4
119.03516	1.6
123.04546	1.0
125.02467	1.2
131.03549	0.9
143.03476	1.0
147.03168	0.5
149.04546	0.9
153.01901	2.4
153.05698	0.5
161.04565	3.4
165.12784	2.5
167.25285	0.5
179.05626	0.8
183.13847	0.5
191.14505	1.0
191.59416	0.4
194.04858	0.5
195.06657	0.8
203.05649	1.5
209.15559	0.9
229.18102	0.6
233.36806	0.5
271.09915	0.9
331.24460	0.7
341.94711	0.5
353.19702	0.6
371.20731	2.7
373.22400	2.0
391.23428	2.7
413.21756	4.2
431.09857	0.9
433.28745	5.0
451.28815	2.3
488.47885	0.5
493.13666	0.7
493.23547	1.3
493.29779	0.8
493.34555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01374	100.0
60.01700	0.8
61.98814	0.9
69.03448	0.4
69.55752	3.0
69.80808	0.4
71.01376	12.8
73.02943	9.3
75.00871	0.8
76.55894	0.4
83.01376	4.2
85.02937	3.7
86.94232	0.4
87.00883	1.1
87.04523	0.9
89.02435	4.0
91.76685	0.4
95.01379	1.0
97.02950	0.6
99.00888	0.6
101.02437	11.8
102.02761	0.5
111.08147	0.7
113.02434	9.5
113.79008	0.4
119.03510	2.0
125.02432	1.0
130.67630	0.5
131.03513	1.4
132.31203	0.4
143.03505	1.4
149.04558	1.4
153.09212	3.2
155.03401	0.6
161.04546	5.0
179.03505	1.0
179.05630	0.6
179.21381	0.4
203.05656	2.2
206.06166	0.4
207.13861	2.4
209.15494	3.1
218.50958	0.5
221.06725	1.2
227.16516	0.4
269.17636	2.6
371.20724	9.7
389.21738	3.2
413.25504	0.6
431.22891	8.1
431.27200	3.7
436.02588	0.4
447.12607	0.5
447.22507	0.6
449.27475	3.7
491.21457	1.1
491.33014	0.5
507.04620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02736	0.3
59.01375	100.0
60.01712	0.3
61.98849	0.3
69.52544	0.3
69.52836	1.2
69.53242	0.8
70.77522	0.3
71.01369	2.2
73.02965	0.5
75.00878	0.3
79.08050	0.3
85.02973	0.4
89.02453	1.2
101.02435	1.5
108.02169	0.4
113.02452	0.8
118.56634	0.3
119.03466	0.6
123.04521	0.4
125.02368	0.4
142.59602	0.4
143.03493	0.4
151.04044	0.3
151.95369	0.3
158.81534	0.3
161.04533	0.5
173.16272	0.3
185.52231	0.3
212.83727	0.3
227.16597	0.4
367.55017	0.3
371.20694	1.7
389.21786	3.4
431.22781	3.4
491.24866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03453	1.2
59.01378	100.0
60.01720	1.9
61.01811	0.9
61.98829	4.5
71.01378	6.7
71.56723	0.5
72.99315	0.6
73.02948	3.9
73.17121	0.4
75.00877	0.7
83.01406	1.9
85.02956	1.5
87.00892	0.6
88.98832	0.8
89.02438	2.6
92.57353	0.5
95.01404	0.7
96.96031	1.9
99.00924	0.5
99.04523	0.6
101.02427	5.2
107.01413	0.7
108.02191	0.6
111.08104	0.6
112.85281	0.6
113.02428	3.6
115.89147	0.4
117.03473	0.4
119.03513	0.8
121.02957	0.6
122.26701	0.4
123.04516	0.6
125.02482	1.3
133.03009	0.9
134.03749	0.7
135.04550	1.8
151.00383	1.2
151.04027	1.4
153.09221	1.1
155.10753	0.7
161.02475	0.5
161.04546	2.3
165.12897	0.9
175.02512	0.5
179.03500	1.2
181.05147	1.7
209.15514	1.3
224.04692	0.5
227.16576	1.1
242.05980	1.9
257.08185	3.4
268.03720	5.8
269.04523	23.4
270.05060	1.7
283.05676	0.4
284.03250	0.9
284.06305	0.8
285.03827	0.6
286.04169	0.9
287.05505	1.5
287.09213	1.6
299.08224	1.0
311.05594	0.7
313.06216	0.5
314.69394	0.5
323.05804	0.6
325.06522	0.6
327.04941	0.8
343.21362	1.5
359.07025	0.6
370.06610	0.6
371.07007	1.8
371.20740	9.3
372.21115	0.7
388.17017	0.4
389.21765	4.7
401.07925	1.1
431.09921	7.0
431.22794	10.1
432.23529	0.6
473.10278	0.5
491.10980	10.6
491.23633	0.6
491.28528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08442	4.3
59.01361	16.9
61.98798	5.2
68.64603	4.3
69.14597	4.3
69.33773	34.5
69.34184	6.9
96.12861	4.5
121.10246	6.9
130.72974	4.0
162.05608	4.6
171.10266	17.2
185.43234	4.6
250.43723	4.4
275.20114	39.7
293.21210	100.0
294.21460	14.9
431.09222	6.4
491.24484	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.6
59.01378	100.0
60.01707	0.5
61.01815	0.4
61.98824	2.2
69.03427	0.3
71.01385	4.1
71.01772	0.4
73.02944	2.3
75.00881	0.3
83.01394	0.8
85.02955	2.2
89.02439	1.3
93.82343	0.3
96.96014	0.4
98.19907	0.8
99.00922	0.7
99.04518	2.6
101.02447	4.2
108.02149	0.5
113.02447	2.3
119.03501	0.7
123.04533	0.6
125.02456	1.4
143.03496	0.6
147.11777	0.5
151.00381	0.7
151.03986	0.4
152.01161	0.6
159.03055	0.5
161.04533	2.1
165.12851	0.3
178.99997	0.3
179.05669	0.3
181.05057	0.3
197.15543	0.3
203.05659	0.6
209.15518	0.4
225.14987	0.4
227.12903	0.6
227.16528	1.4
269.04529	1.8
269.14066	0.5
287.05795	0.3
287.09247	0.9
287.15042	1.7
371.20651	2.8
389.21774	5.5
390.22067	0.5
431.22800	5.7
432.23337	0.4
491.10895	0.6
491.21732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.1
58.00591	1.8
59.01377	100.0
64.67115	1.2
69.06091	1.4
69.22623	3.4
69.23026	9.9
71.01377	23.0
73.00185	1.6
73.02946	25.4
79.44733	1.2
83.01395	9.0
85.02938	4.0
89.02438	9.4
96.96004	5.7
101.02441	24.4
113.02438	10.3
119.03500	5.0
121.38067	1.3
125.02463	4.8
125.51272	1.4
131.03458	2.0
133.02922	1.4
143.03493	1.7
149.04489	2.5
161.04538	5.3
167.03476	3.0
200.44722	1.4
202.15613	1.3
209.04552	1.9
226.66719	1.6
239.05557	1.7
251.05525	4.5
281.06769	2.5
387.20300	2.9
393.29742	1.3
405.21152	1.6
431.22910	3.8
447.22238	5.2
463.82602	1.4
491.11240	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	491.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.9
59.01375	100.0
61.98819	3.5
66.87680	1.0
71.01377	17.5
73.02940	22.6
77.03976	1.9
79.01873	1.8
83.01382	6.2
85.02945	3.9
86.90475	1.1
88.32560	1.1
89.02441	7.9
95.01396	1.5
96.96008	1.9
98.20595	2.7
101.02442	22.3
105.01922	2.2
109.02959	3.0
113.02444	7.8
115.00330	1.5
119.03487	4.2
121.02932	3.0
123.04512	2.3
125.02424	4.8
126.30914	1.2
131.03490	1.8
133.02954	12.2
135.04518	3.3
148.01550	1.2
149.04478	2.7
161.02559	1.7
161.04536	4.7
163.00336	2.4
163.04005	2.0
165.01874	3.6
167.03520	1.5
167.10716	1.8
175.04007	2.9
177.01935	2.5
177.52426	1.2
199.03986	2.4
201.01955	1.5
209.04463	2.3
211.03943	1.3
213.05717	1.6
221.04707	1.2
225.05461	1.9
225.07669	3.4
227.07109	1.2
229.53467	1.6
255.06631	2.7
267.10767	1.3
285.04062	5.0
287.05820	1.3
287.09137	2.9
297.04059	7.0
298.04810	5.4
299.05563	39.4
300.05869	2.4
309.03900	1.6
311.05551	4.8
327.05066	67.1
328.05334	3.9
330.03708	2.4
339.04968	10.0
353.02802	4.5
357.06158	18.3
431.22604	1.5
447.09265	20.9
447.22208	7.6
467.74066	1.5
473.07230	7.6
491.08203	77.6
492.08566	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	491.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.8
59.01374	100.0
61.98821	1.1
69.03464	1.2
71.01374	14.0
73.02953	3.7
75.00872	1.6
77.92576	0.5
83.01380	2.5
85.02930	4.4
87.00860	0.7
89.02454	2.0
93.03470	1.0
95.01426	0.9
98.19842	0.9
99.00897	1.4
99.04559	0.6
101.02438	6.7
109.02964	1.1
109.06619	0.5
113.02456	4.4
119.03488	0.8
125.02455	1.6
137.02446	0.7
137.09778	0.7
143.03543	1.4
161.04578	1.7
166.81621	0.5
179.03534	1.1
192.11577	2.4
203.05583	9.9
207.13887	21.6
208.14354	0.6
218.22017	0.5
223.55261	0.5
229.64522	0.8
269.17496	0.6
371.20862	1.6
373.26111	2.2
375.52884	0.5
413.87927	0.5
431.27011	3.4
449.20728	0.6
449.27866	1.5
491.21564	3.8
491.28632	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	491.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
57.03436	1.3
58.00585	0.8
58.36128	0.7
59.01375	47.3
61.98814	1.6
68.99563	10.2
71.01376	20.0
71.56814	0.8
72.99292	0.9
73.02943	7.7
75.00858	2.7
81.03484	0.8
83.01383	4.8
85.02946	9.5
85.06572	1.1
87.00864	3.1
88.98774	1.7
89.02441	3.1
95.01344	2.0
97.06602	0.8
99.00861	3.3
99.08202	0.8
101.02435	12.1
112.01634	0.9
112.98562	10.6
113.02441	5.8
119.03542	1.3
121.02941	2.5
124.01639	1.1
125.02409	2.2
131.03494	0.8
143.03474	0.9
155.14409	4.3
170.39198	0.8
181.15938	1.0
199.13379	8.7
225.14995	2.1
255.02948	1.1
256.03369	1.7
257.03384	1.3
269.21179	1.8
287.08368	1.8
287.22238	25.7
329.23178	1.0
387.20053	4.2
405.21246	7.7
414.76569	0.8
431.26505	15.2
447.22318	50.0
448.22690	3.1
449.27509	38.2
450.27805	2.9
470.74573	0.9
491.28613	100.0
492.29117	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	491.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.7
59.01375	100.0
60.01713	0.6
61.98820	1.1
68.99814	0.3
69.03452	0.6
69.42577	2.0
69.42982	0.8
71.01376	11.6
72.99317	0.4
73.02943	3.5
75.00875	1.6
75.98162	0.3
81.03452	0.4
82.04560	0.3
83.01382	2.3
85.02956	3.6
86.23774	0.3
87.00877	0.6
89.02442	2.8
93.03469	0.7
94.72446	0.3
95.01389	0.9
97.02966	1.1
99.00890	1.3
101.02438	6.7
109.02982	1.3
109.06656	0.6
113.02439	3.8
115.04021	0.5
119.03516	0.9
125.02477	1.3
137.02441	0.6
137.09747	0.9
139.07678	0.4
141.40573	0.3
143.03532	1.2
149.04576	0.4
161.04541	2.8
167.10089	0.4
179.03514	1.1
179.05652	1.3
192.11485	2.9
203.05597	8.6
207.13879	20.1
208.14275	0.9
243.16026	0.7
254.04874	0.4
263.74582	0.3
336.72321	0.4
343.24997	0.5
371.20963	0.9
373.25821	3.0
389.21936	1.2
431.26825	3.2
432.27621	0.4
449.20831	0.5
449.27573	1.7
491.21533	3.0
491.28815	2.5
492.22366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.8
59.01374	100.0
61.98821	1.1
69.03464	1.2
71.01374	14.0
73.02953	3.7
75.00872	1.6
77.92576	0.5
83.01380	2.5
85.02930	4.4
87.00860	0.7
89.02454	2.0
93.03470	1.0
95.01426	0.9
98.19842	0.9
99.00897	1.4
99.04559	0.6
101.02438	6.7
109.02964	1.1
109.06619	0.5
113.02456	4.4
119.03488	0.8
125.02455	1.6
137.02446	0.7
137.09778	0.7
143.03543	1.4
161.04578	1.7
166.81621	0.5
179.03534	1.1
192.11577	2.4
203.05583	9.9
207.13887	21.6
208.14354	0.6
218.22017	0.5
223.55261	0.5
229.64522	0.8
269.17496	0.6
371.20862	1.6
373.26111	2.2
375.52884	0.5
413.87927	0.5
431.27011	3.4
449.20728	0.6
449.27866	1.5
491.21564	3.8
491.28632	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	491.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79913	0.3
57.48985	0.3
59.01375	57.7
60.01701	0.5
61.98829	0.7
69.43896	1.2
69.44300	0.8
71.01372	0.3
72.15535	0.3
85.00945	0.3
92.05427	0.3
97.99574	0.3
98.20634	0.6
113.02417	0.4
157.16748	0.3
195.04550	0.5
211.03984	7.9
239.03474	37.5
240.03833	1.6
254.05820	54.3
255.06197	2.1
265.88235	0.4
269.08160	100.0
270.08490	4.5
271.50766	0.3
328.46631	0.3
392.41064	0.3
414.71844	0.3
487.99905	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54735	0.3
58.41800	0.3
59.01363	1.6
62.30379	0.4
70.46741	1.2
71.01376	5.2
73.02943	4.2
73.07229	0.3
82.48156	0.3
87.00874	2.6
89.02442	24.6
90.02739	0.4
103.04009	1.7
131.03484	5.4
149.04549	100.0
150.04881	1.9
383.05176	0.4
400.64645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56171	0.1
59.01377	1.4
59.69355	0.1
69.03454	0.4
69.47781	0.5
69.48196	0.3
71.01379	5.6
72.01713	0.2
73.02941	4.9
77.11804	0.1
85.02972	0.2
87.00880	2.5
89.02442	27.8
90.02766	0.3
92.33183	0.1
98.20611	0.3
101.02435	0.3
103.04012	2.1
108.73962	0.1
131.03500	6.3
149.04550	100.0
150.04878	2.1
150.05966	0.2
181.52888	0.1
191.19519	0.1
216.38838	0.1
235.68916	0.1
252.04572	0.1
341.10797	0.4
408.81561	0.1
490.71616	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	491.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03447	7.7
58.03781	1.7
59.01376	100.0
60.01707	1.1
61.98811	0.5
67.83975	0.5
68.99812	0.6
69.03452	1.7
70.25456	0.9
70.25847	0.9
71.01381	12.4
71.03779	0.4
71.05032	0.4
72.01720	1.3
72.99306	1.0
73.02952	2.6
75.00887	0.5
83.01384	10.1
84.01720	2.4
85.02946	10.9
85.06575	1.0
86.00085	0.9
86.03288	2.3
86.06986	0.6
87.00864	0.7
95.01377	2.2
96.01747	1.0
97.02955	1.9
98.03277	0.6
99.00880	1.4
99.36523	0.4
101.02441	3.7
102.02814	0.6
103.97530	0.4
108.02193	0.4
108.94997	0.4
112.01680	1.1
113.02464	6.0
114.02795	1.5
121.02949	56.3
122.03323	1.0
123.04521	0.7
124.01675	0.7
125.02425	1.6
137.39876	0.4
143.03471	1.8
144.03801	0.7
161.04567	1.5
211.17017	1.7
212.17354	1.5
213.18600	5.4
214.18925	4.0
215.19189	1.0
287.09244	0.6
299.25854	2.1
300.26282	3.1
301.26529	1.4
325.09225	1.1
328.29453	0.9
345.29953	4.0
346.30386	8.4
347.30621	3.2
442.32501	0.9
452.04242	0.5
460.33685	0.9
470.25009	0.9
490.34634	51.3
491.29037	1.3
491.34915	29.9
492.35092	0.6
514.60974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58899	0.6
57.03444	0.9
59.01361	4.7
68.43589	0.8
68.99812	0.8
71.01352	2.2
71.55162	0.9
73.02920	1.1
81.03442	5.0
83.01376	8.2
85.02958	1.7
88.98840	1.1
89.02402	0.6
93.03448	1.3
95.01361	1.1
95.05022	2.9
96.96003	1.0
97.02943	2.7
99.04507	2.6
107.01308	0.9
107.04990	1.8
109.02935	3.1
109.06576	1.2
111.00867	0.8
111.04556	1.4
113.02418	1.7
119.04939	0.8
121.02943	2.6
121.06580	0.8
122.03719	1.0
123.04517	12.0
125.02419	7.0
133.03008	0.8
135.04521	3.1
137.02434	2.9
137.06075	6.5
139.03983	6.6
141.05594	0.9
147.04494	1.5
149.02489	1.2
149.06041	1.2
151.03995	3.0
153.05495	1.0
155.03374	0.7
161.06030	1.3
163.04002	2.9
164.04771	1.8
165.01889	2.7
165.05591	3.5
166.02739	1.0
167.03490	25.9
168.03799	0.9
177.01877	0.8
177.05533	1.9
179.03477	5.4
180.04124	1.2
181.05061	2.8
189.05605	1.5
191.03473	1.4
193.05074	4.4
194.05751	0.7
197.04485	3.6
205.05086	1.4
207.03206	0.8
207.06705	1.5
209.04536	39.2
210.04868	1.4
219.03001	0.7
221.04507	11.5
223.06096	1.2
233.04501	2.0
235.06123	2.8
239.05585	14.7
249.04059	1.1
251.05580	100.0
252.05907	3.7
263.05579	4.9
265.07169	1.1
269.06699	1.6
276.01782	0.9
281.06644	62.7
282.07001	3.4
293.06577	3.3
311.07700	16.1
312.07892	0.8
323.07645	1.4
327.04965	0.8
328.15317	0.9
353.02979	1.3
353.08707	6.5
354.08945	0.7
371.09814	21.3
372.10168	1.4
383.09793	5.0
401.10867	2.1
408.30075	0.7
442.68622	0.7
455.12286	0.8
467.17825	0.8
473.07062	1.4
473.12979	1.4
491.08115	2.5
491.14069	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	491.1194
Annotation	Okanin 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03438	0.5
57.99301	0.2
58.90747	0.2
59.01376	28.6
61.98815	0.5
63.02378	1.8
65.00318	10.3
65.47013	0.2
71.01373	1.8
72.99281	0.4
73.02934	1.4
75.00870	1.4
83.01384	4.9
85.02958	0.7
87.00896	0.3
89.02441	0.7
93.03440	0.3
96.96028	0.5
99.00867	0.4
101.02429	1.5
107.01386	17.7
107.04995	0.4
108.02229	0.3
109.02965	1.5
110.00100	0.3
113.02435	1.3
119.03537	0.4
124.01639	0.4
125.02432	4.7
133.02893	0.3
133.65831	0.2
134.03748	1.1
135.04517	71.6
136.01604	0.4
136.04836	1.8
137.02451	0.5
145.07706	0.5
151.00356	100.0
152.00679	2.5
153.01961	0.3
159.04469	0.5
161.02472	1.3
161.04573	0.7
164.01175	0.6
165.01949	0.5
169.01392	0.9
174.03197	0.3
175.00111	0.3
177.01942	0.6
180.94664	0.2
196.00116	0.4
199.03981	0.3
199.07684	0.9
201.05573	0.4
243.06544	0.5
269.04449	0.9
269.07431	0.3
285.04041	0.5
286.04672	0.7
287.05588	70.8
288.05936	3.6
339.10730	1.5
355.10889	0.5
371.20724	1.0
371.24832	0.4
373.25940	0.9
389.21808	0.6
431.09644	1.2
431.22519	0.8
431.27118	0.5
447.12701	0.3
449.10745	0.8
449.27771	0.4
491.11929	28.6
491.28235	2.7
492.12146	2.6
492.29294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1195
Annotation	Okanin 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.79885	0.4
54.59572	0.4
57.03446	9.1
59.01379	17.1
61.56758	0.4
61.98834	2.0
63.02404	0.4
69.39451	3.3
71.01382	2.1
73.02951	1.5
75.00890	0.4
81.03472	1.3
83.01378	6.3
85.02962	0.6
86.76050	0.4
89.02448	1.0
91.01909	0.5
93.03456	0.5
96.96019	0.5
97.02942	1.0
101.02444	2.1
107.01373	0.8
108.02163	0.6
109.02959	1.6
113.02429	0.7
121.02949	1.4
123.04505	1.0
125.02441	72.8
126.02796	1.4
132.02151	1.0
133.02954	6.3
134.43201	0.5
135.04570	0.4
137.02455	1.2
139.04010	2.0
149.02457	4.1
151.00385	0.7
159.04553	1.2
161.02438	21.4
162.02876	0.6
163.03961	0.8
165.01880	1.4
167.03523	2.9
177.01903	1.4
180.05881	0.9
181.05119	0.5
181.06601	1.6
183.04593	0.7
195.04594	0.6
197.06146	0.8
199.03986	0.7
201.05573	1.9
209.11861	1.1
211.03966	0.9
212.04604	0.6
216.04179	0.4
223.03963	0.8
224.04782	1.3
225.05545	1.5
227.03502	0.6
239.03513	1.8
240.04214	1.0
241.05057	0.6
253.05139	0.8
267.02945	2.7
268.03754	26.8
269.04526	100.0
269.13882	2.4
270.04846	4.0
283.05945	0.6
285.03931	1.6
286.03946	0.7
287.05609	33.3
288.05893	1.2
297.75345	0.4
299.05609	3.8
311.05563	3.9
326.98993	0.4
327.05048	5.5
329.06622	6.6
339.05002	0.5
341.06479	0.7
343.21088	0.6
357.06113	1.4
357.42416	0.4
389.21335	0.7
431.09796	29.2
432.10263	2.4
447.09604	1.2
473.07141	0.9
491.11319	6.9
491.18918	1.6
491.21490	1.8
491.28168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01724	0.6
60.75039	0.3
66.32957	0.3
71.01388	0.8
71.29552	0.6
73.02949	0.9
73.03913	0.3
85.02956	0.4
88.75148	0.3
89.02467	0.6
96.96005	2.6
101.02454	1.0
113.02425	0.6
140.12935	0.3
141.94685	0.3
161.04510	0.6
165.55338	0.4
208.03690	0.3
277.39725	0.3
369.06543	0.5
429.20920	0.7
430.57132	0.4
489.10626	0.9
489.23697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.5
59.01376	38.6
61.98812	0.6
71.01376	26.7
71.55692	0.6
72.99305	2.5
73.02943	0.5
80.11660	0.7
81.98557	0.5
82.22862	0.5
83.01377	1.5
85.02948	4.8
85.04067	1.0
85.79256	0.6
87.00858	1.6
89.02441	28.3
92.66398	0.6
93.03437	1.6
93.36202	0.4
95.01379	1.3
96.96009	1.5
101.02444	17.5
112.04012	0.6
113.02447	10.4
119.02796	1.7
119.03516	12.3
120.04536	0.6
120.64841	0.5
121.02955	26.2
122.03739	1.1
123.04497	2.0
131.03484	1.3
143.03487	1.6
148.04045	14.3
149.04457	1.1
150.05569	1.4
157.06161	1.9
161.04533	1.2
166.05006	0.6
166.48474	0.5
179.05614	3.2
184.10059	0.6
191.04932	4.1
235.52814	0.5
328.10336	100.0
329.10696	4.9
370.06815	0.7
370.84464	0.5
385.64618	0.5
490.15613	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0829
Annotation	Carmine
Peak:m/z	Relative Intensity
52.18896	0.4
55.01901	0.7
56.75681	0.4
57.03454	2.1
58.00612	0.9
59.01379	58.3
61.98836	2.6
65.00330	0.6
66.52658	0.4
69.67531	2.6
71.01380	12.7
72.99310	0.8
73.02946	12.3
74.47643	0.4
75.00867	0.6
77.03982	2.0
79.01917	1.6
83.01385	4.5
85.02953	3.0
89.02435	4.3
93.03471	1.0
95.01390	1.1
95.05005	0.6
96.96006	0.9
97.02936	1.0
97.39922	0.5
101.02437	12.6
103.00311	0.5
105.01933	1.3
105.03486	0.5
107.01375	0.7
107.17292	0.4
108.02195	1.2
109.02961	4.3
113.02452	5.4
117.03490	0.8
119.03495	1.7
119.05030	1.1
121.02957	3.1
121.58026	0.5
122.35464	0.5
123.04530	1.2
125.02433	4.1
131.01413	0.6
131.03503	1.3
132.02191	0.8
133.02957	16.4
134.03729	1.1
135.04544	4.0
143.03513	1.2
145.03021	0.5
147.04567	0.8
149.02486	1.0
149.04561	1.6
151.00351	0.6
151.04018	1.0
160.01636	1.8
161.02361	2.1
161.04576	3.5
161.05823	0.7
162.02139	0.5
163.00388	1.6
163.04047	3.4
165.01906	6.1
165.05554	0.5
167.10779	1.0
171.04474	0.7
173.02429	0.5
175.03993	5.2
176.04372	1.1
177.01958	1.6
177.04523	0.5
179.03477	1.7
181.05038	0.6
187.90331	0.5
189.01950	0.7
191.03548	0.7
193.05090	1.3
196.05260	0.7
197.06136	0.6
199.04019	2.3
199.07649	1.1
201.01909	1.7
201.05690	0.5
211.03967	1.1
211.07718	0.7
212.04823	0.9
213.05569	1.6
215.03409	0.8
220.64124	0.5
225.05479	1.3
225.07576	1.0
226.06201	0.8
227.07130	1.3
229.05000	0.9
233.04582	0.5
235.06096	1.5
236.06485	1.2
240.04288	1.1
243.03055	0.7
243.06558	0.9
253.05092	1.4
255.06583	1.6
256.03604	0.6
269.04514	1.8
270.05368	1.0
271.06000	0.6
281.04492	1.0
284.03329	1.0
285.04010	5.0
287.05969	0.6
287.09222	1.9
295.06055	0.8
297.04013	11.9
298.04828	4.9
299.05588	57.9
300.05957	3.0
309.04037	2.0
311.05508	5.9
324.02664	0.9
325.03482	1.4
327.05075	91.7
328.05423	5.1
330.03729	2.7
339.05093	12.1
340.05377	1.1
353.03018	4.6
357.06149	25.1
358.06393	1.1
369.06140	2.4
371.07748	1.0
383.03952	0.8
387.20370	0.8
393.06238	0.8
405.21307	1.2
429.08417	0.8
431.22656	0.8
445.14539	0.6
447.09305	20.9
447.22125	4.0
448.09650	1.0
455.15414	1.0
473.07144	10.9
474.07587	0.7
491.08267	100.0
492.08643	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	489.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.45033	0.9
59.01381	30.5
61.74987	0.9
61.98830	1.1
69.74543	4.5
71.01382	12.6
72.99332	1.3
73.02952	1.8
83.01384	1.2
85.02936	2.2
87.00871	1.2
88.95099	0.9
89.02444	9.2
95.01365	0.9
96.96059	0.9
99.00922	0.9
101.02440	7.1
108.54036	0.8
109.02963	2.0
113.02428	3.7
117.03470	3.3
119.03507	3.4
132.01231	1.2
132.02171	16.2
133.02960	5.5
133.05106	1.3
134.03740	43.7
135.04518	1.7
137.02458	1.4
145.16118	0.8
147.04500	3.2
148.05244	1.5
149.06076	8.7
151.04037	1.6
151.06076	5.4
158.03746	1.5
160.01659	78.7
161.02051	2.6
161.04462	1.1
163.03976	1.4
173.06070	2.1
174.03294	1.1
175.03993	100.0
176.04773	14.1
177.01958	2.7
178.02609	3.9
191.07135	19.9
192.04323	2.0
193.05045	66.0
194.05447	2.3
195.04416	1.0
207.06621	8.0
213.05486	1.0
217.05096	1.9
219.06538	1.0
220.03781	2.6
235.06105	57.1
236.06476	1.9
265.07159	10.7
269.04672	0.9
283.06100	2.0
295.08133	12.6
297.04044	1.2
298.04834	3.1
311.05652	4.1
312.06253	3.5
313.07315	4.1
313.10669	0.8
323.05765	1.1
327.05063	3.2
337.09497	3.9
339.05035	3.5
341.06699	3.2
353.06723	2.1
355.10544	5.4
369.06158	17.4
370.06351	1.5
381.06122	1.6
399.07123	11.7
400.07474	1.0
429.08167	2.3
471.09369	0.9
473.71222	0.8
489.10120	25.7
489.16119	81.8
490.10349	1.5
490.16827	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	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06863	0.8
59.01376	61.7
65.49283	0.9
67.12326	0.9
71.01379	15.0
71.56332	1.8
73.02949	4.8
74.69064	1.0
75.95649	0.9
83.01379	2.0
85.02945	3.4
87.00872	6.7
89.02426	6.7
91.01883	1.1
96.96008	1.9
101.02448	9.2
113.02405	2.8
115.00368	11.5
119.01377	5.1
119.03485	2.2
121.02955	2.4
121.05067	3.8
134.03700	1.0
135.04530	1.1
139.00337	2.8
143.67880	1.0
147.00836	2.5
149.02446	17.8
152.01106	1.9
155.60352	1.0
157.01382	4.7
161.04611	1.8
163.03993	2.3
164.04788	19.2
165.01913	1.6
175.00342	27.3
175.02452	18.6
175.03894	0.8
179.07025	1.7
190.02705	77.6
190.77354	1.1
191.03195	3.9
205.05043	88.9
206.05467	4.9
207.02898	1.2
208.03697	1.2
209.04555	1.6
221.08133	3.6
223.06105	37.2
224.06451	1.5
265.07101	7.9
269.12924	1.9
273.32117	1.0
285.03955	1.2
307.08029	1.2
313.11926	1.9
325.09293	1.4
367.10239	1.1
369.06140	5.4
371.12302	1.4
399.07361	1.8
409.13742	1.3
427.15143	3.0
489.10440	6.7
489.16147	100.0
490.16400	7.8
490.58798	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	489.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31672	0.8
53.14990	0.8
57.03453	1.0
59.01101	1.4
59.01378	12.3
59.13065	0.9
59.86871	1.0
61.98827	2.7
69.68976	5.3
71.01376	2.1
74.25777	1.0
85.02940	1.0
96.95977	1.6
98.20533	1.8
99.70142	1.0
171.82790	1.0
179.00034	0.9
183.04510	1.7
199.03983	3.7
211.03938	2.4
227.03493	3.9
231.35461	1.0
254.02132	3.1
255.02980	59.9
256.03262	2.6
263.49771	0.9
269.04572	1.9
270.05304	81.5
271.05627	4.3
285.07672	100.0
286.07941	4.2
311.05643	1.8
363.59805	1.0
431.09576	1.8
489.14294	10.7
489.25659	1.4
489.33994	1.3
490.14584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01376	41.9
60.58943	0.3
61.98812	1.3
69.27145	3.6
69.38592	0.4
71.01368	3.1
72.99266	0.5
73.02943	2.3
83.01369	0.7
85.02931	0.6
86.16288	0.4
87.00858	0.5
89.02451	1.2
99.00871	0.5
99.04498	1.4
101.02435	2.7
108.02117	1.2
109.02911	1.1
113.02425	0.9
117.48502	0.4
119.03507	0.5
121.02948	3.6
125.02462	0.9
133.02931	1.7
137.02420	0.6
138.03133	0.4
139.03999	1.0
148.01657	2.5
149.02396	1.4
150.03064	0.4
151.03987	0.8
159.04535	0.5
161.02451	2.1
161.04546	0.7
163.04013	2.5
175.03984	0.4
181.06598	0.5
183.04446	1.1
185.06085	0.6
186.03137	0.5
187.03969	0.9
197.06033	0.6
199.03989	1.1
201.05544	0.6
202.06418	0.5
207.13844	0.7
209.06044	1.5
211.04031	0.9
213.05717	0.5
224.04866	0.4
225.05463	2.4
225.14912	1.3
226.06276	0.9
227.03474	4.5
228.04166	1.8
241.05037	2.5
242.05821	1.2
253.05048	10.6
255.03024	3.3
269.04471	3.7
270.05295	19.8
271.05615	1.0
279.06253	0.5
284.03308	0.7
285.07648	100.0
286.08032	5.9
311.09048	0.4
327.05136	0.5
353.10422	0.6
369.19217	1.5
373.35037	0.4
387.20151	1.5
429.21210	1.5
447.25751	0.6
489.10391	1.7
489.19687	0.5
489.27078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99063	0.4
57.03443	0.6
59.01377	100.0
61.98832	1.0
69.29710	3.7
71.01376	6.0
73.02942	2.3
75.00874	0.4
83.01382	0.9
85.02959	2.1
87.00887	0.8
89.02438	2.2
98.20705	0.9
99.00905	0.6
101.02440	5.6
111.40855	0.4
113.02436	2.8
119.03500	1.0
143.03484	0.6
144.19234	0.4
159.02983	0.4
161.04535	2.4
203.05714	0.4
205.16034	0.5
235.08185	0.6
264.91110	0.4
367.21143	4.4
367.24500	0.4
381.53427	0.4
385.22318	12.4
386.22803	0.6
427.23349	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35616	0.6
59.01375	20.2
61.98827	0.8
65.72853	0.7
69.32756	5.6
71.01377	2.5
73.02936	3.1
83.01375	0.8
85.02928	2.0
88.98778	1.7
89.02438	1.0
101.02467	1.0
108.42457	0.7
113.02430	1.5
128.03531	0.8
143.03502	0.6
207.13730	0.8
216.44743	0.7
227.03506	1.1
241.90074	0.7
255.02957	100.0
256.03305	4.8
270.05304	31.4
271.05630	2.0
285.07648	83.1
286.07962	3.3
371.20380	1.1
447.25592	0.8
488.32944	1.2
489.10330	0.8
489.27078	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
61.98813	0.3
65.00320	8.7
68.99829	0.3
69.29495	1.8
71.01362	0.3
81.22392	0.2
89.00326	2.2
91.01903	2.2
93.03457	16.2
94.03810	0.4
97.02947	7.3
108.02165	0.2
117.03450	0.2
119.05025	65.6
120.05350	1.6
121.02967	3.9
123.39206	0.2
134.33951	0.2
135.95358	0.2
136.01639	0.4
145.02930	0.9
149.99597	3.6
156.03572	0.2
164.01178	0.5
165.01929	55.5
166.02255	1.4
169.56551	0.2
176.01135	0.5
179.03473	1.4
191.03490	1.8
196.00197	0.2
241.04939	0.3
247.52702	0.2
252.04193	0.5
255.02977	1.5
267.06546	0.5
269.04474	0.3
270.05234	0.6
283.06143	0.5
284.06848	0.4
285.07663	100.0
286.08029	5.6
327.08463	0.4
429.12015	0.8
489.14108	2.4
489.25879	0.3
490.13928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
69.02884	0.4
69.03468	0.6
69.52584	3.3
71.01379	7.2
73.02945	9.8
76.35122	0.5
81.08728	0.5
83.01374	2.6
85.02499	0.5
85.02973	2.1
87.00894	0.6
89.02431	2.4
95.01421	0.9
97.02938	0.5
101.02438	10.6
113.02445	6.2
115.00364	0.7
119.03533	0.9
126.53224	0.5
131.03531	1.2
133.02936	0.7
137.51463	0.4
138.06860	1.5
139.07684	0.6
143.03528	1.5
149.02464	0.7
149.04567	1.7
151.07686	1.8
152.08409	4.6
153.09213	11.4
153.10475	0.6
161.02583	0.6
161.04565	4.8
162.81203	0.4
163.11296	0.6
177.01970	0.8
179.10735	0.7
189.85809	0.5
205.12326	4.4
221.06711	1.7
223.13365	2.7
235.05977	0.5
279.96622	0.5
286.04199	0.4
295.06268	0.9
299.05231	0.5
327.04959	0.7
328.05511	1.2
329.05600	3.5
330.72382	0.4
339.05338	0.6
359.06793	1.4
367.12933	0.9
367.17572	16.6
368.18015	0.9
385.18909	2.4
427.19653	8.4
449.09851	4.3
451.10712	0.5
482.94022	0.5
487.08517	0.9
487.14920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
59.01380	1.7
61.98827	0.8
65.15433	0.3
69.31556	0.3
71.01382	1.3
71.36877	0.3
71.55054	0.4
73.02938	0.6
75.00845	0.3
78.25481	0.3
85.02955	0.7
89.02422	1.0
93.03477	0.8
96.95998	2.2
101.02440	0.7
103.13567	0.3
113.02448	0.8
119.05020	100.0
120.05347	2.3
125.02496	0.5
128.11775	0.3
133.06523	0.3
134.03719	0.6
135.04530	1.1
145.02916	0.4
148.05313	3.1
149.06038	0.5
160.05208	0.4
161.02370	0.7
161.04512	0.4
163.04001	67.3
163.07610	4.2
164.04358	1.7
169.98964	0.3
174.03209	0.6
175.03996	0.5
176.04791	0.4
178.06310	0.7
179.03539	0.4
188.04799	1.3
189.05637	0.3
191.07123	0.4
203.07179	0.4
204.07817	0.5
205.05069	0.4
206.05890	0.5
219.10402	0.5
221.08176	3.8
263.09140	2.7
265.07135	1.1
285.10736	0.4
289.10843	0.3
307.08246	0.3
323.09424	0.4
487.14569	31.7
488.14694	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	487.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
56.55328	0.2
57.03444	0.7
59.01377	13.4
61.98824	1.4
63.02386	1.9
65.00331	0.6
69.31470	1.5
69.31886	0.3
71.01376	6.3
71.05031	0.2
72.18663	0.2
72.99298	0.9
73.02940	1.7
75.00865	0.7
83.01371	1.4
85.02945	3.7
87.00886	1.2
89.02419	0.7
93.03438	0.8
95.01373	1.3
96.96008	9.0
98.20605	0.5
99.00886	1.5
100.98775	0.3
101.02453	1.6
107.01389	2.6
111.00865	0.3
112.98553	0.3
113.02446	4.7
115.00346	0.8
115.04021	0.4
117.03458	5.8
121.02946	0.3
124.49174	0.2
131.03467	0.3
135.04521	0.4
139.00487	0.2
145.02873	0.2
148.04092	0.2
149.02454	1.5
151.00339	1.9
155.03506	0.2
157.01414	0.5
157.06601	0.3
159.04524	1.7
161.02501	1.1
161.04561	0.6
161.09671	0.4
169.06590	0.5
171.04544	0.4
175.02422	0.3
180.05812	0.2
181.06613	0.8
182.03680	0.3
183.04527	0.9
187.11288	0.5
190.99672	0.2
195.04469	0.3
196.05263	0.9
197.06036	1.0
199.03973	0.3
201.05577	0.8
202.97705	0.2
205.12312	0.3
211.04041	0.3
217.03528	3.2
223.13351	0.3
224.04782	0.5
225.05537	1.8
227.03471	0.8
237.09821	1.1
239.03397	0.6
239.07201	0.3
240.04266	1.2
253.05009	1.0
254.05467	0.2
265.05060	0.3
267.02933	0.3
268.03751	15.4
269.04517	100.0
270.04858	4.9
281.04611	1.2
283.06131	0.9
291.06680	0.3
293.04614	0.6
295.06024	0.3
297.03909	0.3
308.03152	0.2
309.04074	1.0
311.05688	1.5
319.05960	0.3
323.05521	0.4
337.07193	0.4
365.06659	0.7
367.04437	0.3
375.36237	0.2
383.07672	0.4
407.55463	0.2
427.06656	42.8
427.23065	0.6
428.06946	2.9
445.24374	0.8
451.21988	0.3
469.23956	0.3
487.08743	4.4
487.21698	0.9
487.25421	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.8
59.01378	29.5
60.41420	0.3
61.98795	0.2
63.02391	1.6
65.00328	1.1
67.01862	0.4
68.99809	0.7
69.62923	1.5
71.01385	3.7
72.99316	1.6
73.02946	2.1
75.00871	5.3
83.01399	1.2
84.02200	0.4
85.02946	7.6
87.00872	0.5
89.02433	0.6
89.78301	0.2
93.03448	0.6
95.01385	2.5
96.96001	0.8
99.00871	2.8
101.02432	0.9
107.01389	2.2
111.00885	1.4
113.02448	14.4
114.02791	0.3
115.00415	1.2
117.03449	5.7
121.02934	1.8
127.04042	0.5
133.01387	0.5
135.04485	0.3
139.00351	0.9
147.04485	0.3
149.02452	2.5
151.00378	2.6
155.03516	1.7
157.01395	1.0
159.04515	1.8
161.02472	1.4
161.04538	0.5
163.03943	0.7
168.00591	0.2
169.06676	0.5
175.02502	0.4
178.06371	0.5
181.06558	0.6
183.04482	0.7
193.08679	0.7
194.74585	0.2
196.05334	0.3
196.92068	0.3
197.05943	0.7
199.04045	0.4
199.26678	0.3
201.05534	0.8
217.03503	1.1
223.13550	0.3
225.05502	1.9
227.03473	0.7
228.35594	0.3
237.07690	7.3
260.17499	0.3
267.06635	1.0
268.03717	1.3
269.04532	100.0
270.04892	4.4
279.06622	0.5
282.09006	0.3
283.05957	0.3
294.09042	0.3
309.07678	0.4
311.05679	0.8
323.05573	0.7
338.08002	0.7
341.10266	1.5
353.10278	2.4
371.11270	0.7
383.07556	1.2
487.21530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91849	0.3
59.56721	0.3
63.08754	0.4
65.25777	0.4
68.77308	0.4
71.68665	0.3
88.04040	52.1
97.73494	0.4
147.08124	2.2
149.09703	1.4
161.09688	1.0
163.11276	3.4
187.11261	2.4
256.23669	0.7
257.23859	0.4
265.12286	0.6
279.13824	0.9
280.14706	1.5
307.17059	0.6
309.22205	2.4
311.22888	0.3
321.18463	0.4
322.19116	0.5
337.21713	100.0
338.22064	6.9
382.27600	0.9
486.26874	18.0
487.27368	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	487.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.7
63.02383	0.9
65.00305	0.8
69.59050	2.4
71.01364	1.1
73.02906	0.8
76.17809	0.3
77.82266	0.3
82.09370	0.3
83.01391	0.3
83.89678	0.3
85.02972	0.8
91.01862	0.3
93.03464	0.7
95.01398	0.5
98.20623	0.7
99.00843	0.4
101.02437	0.5
107.01402	1.0
113.02408	1.4
116.57278	0.3
117.03456	5.8
122.63606	0.3
133.02963	0.7
137.02438	0.4
148.01628	0.6
149.02415	1.5
151.00342	2.0
151.46321	0.4
159.04526	0.4
161.02397	0.9
169.06497	0.4
172.05324	0.4
181.06488	0.7
183.04506	0.6
185.02684	0.4
191.03462	0.6
193.01379	1.6
196.05321	0.6
199.03912	0.4
209.05972	0.5
211.03979	0.9
213.05696	0.5
225.05498	1.0
227.03561	0.5
237.05438	0.4
238.61212	0.4
239.03473	1.3
240.04234	1.6
252.04245	0.7
253.05067	1.7
265.04922	0.5
267.02975	0.7
268.03735	44.2
269.04507	38.2
269.07672	0.7
270.04779	2.2
281.04504	2.2
283.05960	0.8
295.05838	0.9
300.96533	0.4
311.05573	52.3
312.05875	2.7
383.07672	100.0
384.08014	6.8
427.06662	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.93990	0.4
60.01722	0.4
61.98825	0.8
65.18311	0.4
71.01370	2.7
73.02953	2.4
83.01385	0.6
85.02959	1.0
87.00903	0.5
89.02432	1.1
96.96063	0.5
101.02436	2.7
110.94045	0.5
113.02453	1.7
149.04526	0.5
159.16887	0.4
161.04576	0.9
179.32805	0.5
236.49210	0.4
274.67261	0.5
299.05615	0.7
308.32660	0.5
323.12994	0.7
327.05191	4.2
328.05145	0.5
345.85831	0.5
357.06354	1.1
447.09198	2.9
485.27347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01718	0.6
69.50053	2.1
69.50451	0.6
94.79079	0.3
96.96013	0.4
160.77039	0.3
160.84267	1.3
162.83907	3.6
284.03378	0.3
315.48904	0.3
327.05215	1.5
447.09305	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	485.2753
Annotation	10,11-Dihydro-12-hydroxynerolidol 3-O-beta-D-2'-acetylglucoside
Peak:m/z	Relative Intensity
52.24808	0.3
59.01376	100.0
60.01716	0.6
61.98842	0.3
70.50626	0.4
71.12550	0.6
95.96003	0.3
104.29294	0.3
118.96931	0.6
128.70413	0.3
157.51207	0.4
160.84148	1.6
162.83923	3.1
193.65765	0.3
327.05182	1.4
382.36856	0.3
447.09232	1.1
485.27591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.85595	1.3
61.98831	2.7
70.20555	5.9
71.01379	17.8
73.02936	14.8
83.01367	4.3
85.02966	4.1
87.00864	1.6
89.02436	6.2
96.95995	2.0
101.02438	14.1
107.01420	1.7
112.98563	3.2
113.02423	6.7
113.06039	1.4
119.03521	3.2
134.78633	1.3
141.84399	1.3
143.03419	2.3
147.74603	1.4
149.04590	1.7
149.56107	1.3
151.50470	1.3
161.04555	3.4
184.52292	1.4
221.06702	1.4
238.02402	1.6
284.03287	1.9
298.04742	1.6
327.05051	9.6
357.06067	2.9
447.09354	10.7
485.32559	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	485.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42069	0.3
59.01377	100.0
60.01692	0.5
61.98829	1.9
69.49757	1.4
69.50166	1.5
71.01383	4.5
72.61179	0.4
72.99326	0.6
73.02940	2.7
83.01403	1.1
85.02965	1.7
87.82638	0.4
89.02459	2.3
95.01451	0.5
98.19887	0.7
98.38389	0.4
101.02422	3.6
113.02448	2.5
119.03512	0.7
121.02982	1.4
161.04630	0.8
255.24391	0.5
299.05621	0.7
327.04977	2.5
355.69498	0.5
357.06116	0.9
399.24081	0.5
447.09290	2.1
485.24396	0.7
485.31433	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1817
Annotation	2',4',4-Trihydroxy-3'-prenylchalcone 4'-O-glucoside
Peak:m/z	Relative Intensity
57.03439	0.5
59.01373	7.3
60.21162	0.4
61.98824	4.9
63.53536	0.4
63.96465	0.4
65.03947	0.5
65.84127	0.4
68.99543	0.5
69.35468	2.8
69.47672	0.4
71.01382	1.6
72.99289	0.4
73.02942	0.8
78.95919	0.6
82.72279	0.4
85.02950	1.0
89.02414	0.6
93.03469	0.8
95.01373	0.6
96.95991	0.7
98.20699	0.8
99.00861	0.4
101.02420	1.1
107.05008	0.8
108.02174	2.3
109.02949	2.0
109.06592	0.7
113.02441	1.3
121.02943	2.9
123.04521	1.1
124.46004	0.4
132.45909	0.4
133.02942	7.3
135.04517	0.9
140.21144	0.4
145.02962	1.2
146.03714	1.2
161.04515	0.4
174.86110	0.4
175.07602	0.6
177.09229	1.1
185.06139	0.5
186.06505	0.4
189.09181	3.1
194.12076	0.4
197.06027	0.4
199.07483	0.4
200.04793	0.4
201.09161	1.8
209.06094	1.1
210.06744	0.7
223.07616	0.4
225.05562	1.5
235.07625	0.5
236.08350	0.5
237.05447	0.7
238.06406	0.5
239.03603	0.7
253.04991	3.9
253.12283	0.5
254.05742	5.8
255.06537	0.4
265.05032	2.5
267.06650	2.2
268.07285	1.1
279.06519	0.9
279.13870	2.0
280.07376	1.6
281.11676	0.8
284.03250	0.6
285.03842	0.6
295.13333	0.5
297.04074	0.9
298.04752	0.8
299.05420	1.0
305.11783	0.6
308.10474	5.2
321.11288	0.6
323.12839	100.0
324.13162	7.1
327.05069	7.1
328.05527	0.8
329.05768	0.9
357.06067	1.4
447.09164	6.7
449.09616	0.8
485.24219	1.4
489.87512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01073	1.2
59.01376	39.1
61.98828	100.0
64.76920	1.2
71.01380	11.1
71.58134	1.7
72.99293	1.1
73.02946	4.2
83.01369	2.1
85.02949	3.9
88.51137	1.1
89.02438	4.1
93.56752	1.1
95.01355	1.3
96.95979	1.2
99.00832	1.5
101.02451	7.3
106.53212	0.9
109.33366	1.0
113.02458	8.2
114.02765	1.5
119.03455	1.2
133.02859	1.5
156.06619	2.5
161.04549	2.5
206.68422	1.3
243.15846	2.4
267.06528	4.4
279.06638	1.2
282.08923	1.1
297.11377	1.4
298.04599	1.2
317.19565	1.7
322.12067	3.4
323.12814	19.2
327.05109	5.3
328.05426	4.9
335.20755	10.3
357.05936	2.0
358.06363	1.6
377.21732	4.9
424.21231	3.3
447.09250	3.3
448.09705	6.0
484.23264	4.7
484.33920	2.5
485.30823	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	484.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98824	100.0
69.95031	0.8
71.01379	0.5
73.02941	0.2
85.02932	0.2
89.02441	0.3
98.19933	0.2
99.00935	0.2
113.02438	0.2
149.32687	0.1
156.00824	0.2
168.40337	0.2
216.02817	0.2
282.97934	0.2
327.05197	0.3
328.05554	0.4
423.21484	0.2
424.21701	0.7
447.09686	0.3
448.09760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20713	0.3
59.01374	2.2
60.01714	0.3
61.98827	100.0
71.01389	0.9
89.02430	0.4
96.96014	3.1
101.02457	0.5
113.02477	0.3
113.97803	0.3
118.86029	0.2
152.62325	0.3
172.84537	0.3
177.73297	0.3
182.85355	0.3
327.05115	0.6
328.05750	0.8
358.06555	0.3
424.21674	0.5
447.09671	0.7
448.09677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.05947	0.3
60.01704	0.4
61.98817	0.5
71.01382	0.7
73.02959	0.3
75.00858	0.7
75.82860	0.3
88.35622	0.3
89.02469	0.6
93.98179	0.3
110.72938	0.3
111.00883	0.4
118.97016	0.4
135.02975	0.6
149.54106	0.3
149.92657	0.3
162.83934	0.4
172.83846	0.3
198.53142	0.3
206.55171	0.3
258.41318	0.3
285.04172	0.4
293.21140	1.4
297.04013	0.6
299.05734	0.5
307.60049	0.3
323.16000	0.3
323.33694	0.3
327.05112	3.3
357.06168	0.6
447.09384	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85056	0.3
58.90892	0.3
70.24500	1.0
73.44194	0.3
74.30154	0.3
74.30619	0.3
78.95901	8.0
90.49220	0.3
96.96948	0.9
97.49241	0.3
98.69629	0.3
111.01358	0.3
152.99582	14.5
171.00632	0.9
176.39833	0.3
227.03267	2.9
237.22368	0.3
245.04248	1.5
255.23277	100.0
256.23633	4.4
293.44653	0.4
421.75766	0.3
483.27255	38.5
484.27527	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	483.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65836	0.4
56.18009	0.4
59.01380	100.0
60.01714	0.6
61.98838	1.1
70.98772	0.4
71.01389	0.8
71.27372	0.8
96.96037	0.9
101.02455	0.6
103.13572	0.4
206.09712	0.4
272.41861	0.4
284.03284	0.7
285.04364	0.5
297.04071	0.9
298.04773	0.7
299.05536	0.8
327.05002	5.9
357.06323	1.6
421.44867	0.6
447.09320	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	483.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01731	0.8
61.98839	1.0
71.01379	0.8
71.14426	0.5
71.14771	0.5
72.20230	0.5
85.02974	0.4
96.96019	0.7
98.20582	0.6
99.34834	0.5
104.40187	0.5
119.03518	0.4
133.02951	0.8
142.80959	0.5
162.17804	0.4
184.38264	0.4
256.22083	0.5
284.03479	0.9
285.04166	0.6
293.21182	0.8
297.04105	0.9
299.05829	0.8
315.05484	0.7
327.05096	7.1
357.06238	2.1
447.09271	6.4
448.09616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38203	0.9
57.03444	19.6
59.01103	1.7
59.01381	18.8
61.98813	1.4
64.33186	1.0
70.31494	1.0
70.31838	3.6
70.33868	1.0
71.01376	9.6
73.02946	2.2
75.56297	1.1
79.88905	0.9
81.96810	0.8
82.37028	1.0
85.02947	1.2
87.00907	1.5
89.02428	4.3
96.96010	50.5
99.04523	11.9
101.02444	7.8
113.02440	2.2
114.56287	0.9
125.02438	5.6
129.81125	1.2
143.06143	1.7
153.05589	1.0
158.04836	3.3
159.05632	21.2
161.04539	8.5
161.07202	1.7
171.09125	1.1
173.07169	12.7
175.02547	1.0
176.05872	6.1
177.06688	19.8
189.06770	1.9
191.08241	26.1
191.45750	1.1
192.08595	1.1
199.08722	1.3
201.10265	1.0
203.08328	4.8
205.06172	55.4
206.06471	2.9
217.09737	4.5
219.07736	37.4
219.11133	7.1
220.08086	1.3
233.09161	1.1
245.09290	15.6
293.11411	3.7
321.10904	47.3
321.22699	2.2
322.11273	1.5
339.11932	100.0
340.12210	4.8
344.51950	1.1
359.67328	1.2
381.13065	17.9
421.16098	3.3
483.09607	2.0
483.15948	5.1
483.21008	4.1
483.28235	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	483.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	23.4
60.74216	1.7
71.01373	2.9
71.02814	3.9
71.03137	2.0
72.99313	2.4
75.00867	50.9
89.02445	6.5
101.80957	2.5
103.38882	1.9
117.01930	3.3
121.10223	18.6
134.64551	2.0
135.02002	3.7
135.02988	62.0
163.03998	2.9
169.60045	2.2
171.10265	39.4
177.16319	2.1
231.21181	2.5
256.60962	2.3
275.20135	68.9
276.20410	4.1
293.21191	100.0
294.21777	4.5
327.05099	11.3
357.06082	3.5
447.09299	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	483.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16372	0.6
50.74858	0.6
55.80181	0.7
59.01371	3.4
61.98822	2.8
67.17964	0.8
69.46409	5.7
81.87076	0.8
86.98489	0.7
96.95995	2.3
101.02435	0.8
105.03422	0.8
109.02929	2.1
121.02950	1.4
133.02936	11.1
135.04428	1.6
137.02457	0.8
141.66350	0.7
147.04459	0.9
161.02431	1.6
163.00339	2.6
163.03993	1.3
165.01964	1.2
175.03967	3.1
177.01857	0.9
191.03474	1.1
193.01392	1.1
199.03999	0.9
201.01897	1.2
205.71336	0.7
211.03836	0.8
213.05524	0.8
225.05606	0.9
241.04942	0.9
253.04987	1.6
255.02841	1.0
269.04556	1.7
284.03232	6.7
285.03973	12.9
297.04013	21.7
298.04745	9.9
299.05569	15.1
311.05539	3.3
325.03458	1.3
327.05051	100.0
328.05301	6.3
337.60626	0.9
339.05066	4.8
341.06628	2.0
357.06113	51.8
358.06131	1.7
369.05957	4.7
393.05933	1.4
411.07068	1.0
429.08221	1.3
447.09271	35.5
448.09711	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15629	0.9
59.01377	4.6
61.98821	3.2
71.01380	1.7
85.02927	1.5
93.03459	1.8
96.95999	3.8
101.02415	1.5
109.02924	1.3
114.21336	0.9
121.02934	1.9
125.02427	1.0
133.02928	9.6
135.04492	1.0
137.02403	3.7
147.04459	1.2
161.02409	1.8
163.00374	1.9
163.03995	2.8
165.01907	1.2
166.36969	0.9
175.03969	1.7
189.02071	1.3
191.03471	1.0
199.03973	1.1
201.01863	2.0
225.05431	0.9
241.04955	1.4
253.04980	1.8
269.04465	2.0
284.03293	8.4
285.03989	8.7
297.03992	20.5
298.04767	8.8
299.05557	13.6
300.06046	1.1
311.05557	3.9
325.03516	1.3
327.05051	100.0
328.05438	6.2
339.04959	4.0
341.06476	1.8
357.06131	44.9
358.06454	2.9
369.06134	4.8
393.06143	2.7
411.07077	1.5
447.09259	38.4
448.09433	2.6
483.08847	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	483.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14178	1.0
55.91234	1.0
58.12946	0.7
61.42492	0.8
69.80315	5.2
70.59135	0.8
77.91109	1.0
98.19953	1.1
105.03420	1.1
121.02922	1.4
125.02495	1.0
133.02943	12.1
135.04510	1.0
138.85277	0.9
142.97865	0.9
147.04474	1.5
161.02408	1.3
161.43172	0.9
163.00397	1.7
163.03976	3.7
165.01942	1.0
175.03951	3.0
177.01881	1.2
191.03384	1.7
198.03044	1.0
199.04042	1.2
201.01869	0.9
213.05540	1.4
253.05016	1.2
255.03120	1.2
255.29616	1.0
269.04404	1.0
284.03247	9.9
285.04059	7.1
297.03992	16.6
298.04782	10.5
299.05566	19.7
301.12317	1.1
309.03857	1.2
311.05527	3.4
325.03467	1.4
327.05066	100.0
328.05432	6.2
339.05057	3.9
357.06146	26.0
358.06540	2.2
369.06033	2.5
393.06058	1.1
423.49576	0.9
447.09286	96.4
448.09641	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	482.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83721	1.3
53.22838	1.3
55.31996	1.1
61.98828	100.0
70.79270	2.4
96.43162	1.1
96.96017	2.2
98.57301	1.1
116.86930	1.3
244.63875	1.0
257.32642	1.4
276.31732	1.3
327.05191	4.4
377.07956	1.3
447.09018	2.8
481.29361	1.3
482.30817	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	481.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83204	0.7
52.83457	0.7
62.71083	0.6
64.48632	0.7
64.55539	0.9
70.55473	2.1
78.95896	36.3
96.96966	3.1
121.96330	0.7
127.80850	0.7
152.99576	56.2
171.00632	16.1
171.02087	0.9
213.47697	0.9
227.03250	3.7
228.25966	0.7
245.04295	100.0
246.04599	1.7
253.21704	62.4
254.22031	2.7
481.25677	54.2
482.26031	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	481.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.2
55.27820	0.6
57.03450	4.0
58.00600	3.5
59.01379	89.0
60.01700	0.6
65.31976	0.6
68.99810	0.7
69.03462	1.0
71.01380	75.9
72.99308	5.5
73.02941	17.3
75.00891	0.9
83.01392	10.6
84.02168	0.8
85.02951	32.3
86.00079	0.8
87.00877	5.5
88.68742	0.6
89.02443	55.3
90.02767	0.8
95.01394	5.7
95.93745	0.6
96.95975	0.7
97.02973	2.4
99.00879	6.9
101.02440	82.1
102.02800	1.2
107.03566	0.7
112.50580	0.5
113.02448	37.2
116.92735	0.9
119.03500	23.6
125.02441	2.0
129.01915	0.8
131.03493	2.3
143.03488	6.6
149.04561	2.1
159.03003	2.2
161.04547	16.6
170.88316	0.7
179.05608	11.1
179.07033	1.1
319.21225	38.1
320.21579	2.4
481.26526	100.0
482.26843	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	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01371	3.2
61.98828	100.0
69.24879	0.7
69.25305	1.1
71.01383	0.9
73.02954	0.5
75.00862	1.6
77.55054	0.2
79.09852	0.2
81.75982	0.2
85.02969	0.3
89.02502	0.3
96.96011	0.5
101.02448	0.5
113.02431	0.3
123.04501	0.4
125.02438	0.3
161.04605	0.3
163.52953	0.2
275.16541	0.3
401.33853	0.2
479.32663	0.4
480.25964	0.3
480.32504	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1348
Annotation	Catalposide
Peak:m/z	Relative Intensity
50.19750	0.5
56.61555	0.5
56.97066	0.4
59.01373	1.4
61.98825	1.6
64.66874	0.4
65.03956	1.1
68.20544	0.5
71.01358	0.9
71.57504	0.9
75.00883	1.0
81.03471	1.8
83.05018	4.0
85.72708	0.5
93.03455	32.1
94.03786	0.5
94.98082	1.1
96.96006	0.5
99.04530	0.5
109.02936	0.9
111.04517	9.2
117.03488	1.8
119.05022	100.0
120.05341	2.8
137.02438	27.5
139.04010	0.7
145.02942	8.5
150.17673	0.5
153.01955	1.1
155.02251	1.0
155.03494	17.5
156.03810	0.8
163.03998	91.5
164.04324	3.1
214.66414	0.6
253.09566	0.5
292.62228	0.5
319.08203	64.3
320.08496	3.8
325.09280	2.4
361.09195	1.7
443.15475	1.1
474.40781	0.5
474.47641	0.6
481.13489	36.6
482.13864	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	480.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.98821	0.8
71.01406	0.3
73.02942	0.7
78.95897	0.7
79.32993	0.2
79.95734	3.1
82.32819	0.2
84.32544	0.2
84.34457	0.2
90.68460	0.2
96.65023	0.2
96.96008	100.0
97.91373	0.2
97.93150	0.2
98.20731	0.6
101.02418	0.6
113.02446	0.4
114.93420	0.6
161.04590	0.2
229.33044	0.3
371.71854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01379	5.4
61.98807	1.1
71.01418	0.9
71.05035	0.8
82.50864	0.9
83.05026	2.2
89.02415	0.8
95.05026	1.1
98.20670	1.5
104.16058	0.8
109.06586	2.9
111.08163	2.2
118.87875	0.8
135.08151	2.6
137.09694	2.7
167.03448	1.1
183.13907	1.2
186.39960	1.0
187.67145	0.8
193.12357	0.9
203.14406	1.4
211.13356	5.1
213.14973	3.1
217.00284	1.2
231.17430	1.6
237.14995	1.5
239.16444	3.9
241.18066	2.9
245.19070	1.1
247.13268	1.5
247.17067	1.6
261.18649	1.3
265.17984	1.7
267.19699	1.5
275.16534	2.1
277.17856	1.5
293.21237	1.3
313.25333	1.4
315.26813	4.8
317.28519	1.2
325.25320	9.2
333.27951	2.2
341.24759	3.7
343.26389	10.2
351.23196	1.9
359.25900	10.1
360.25912	1.2
361.27505	5.6
369.24329	10.8
370.24667	1.1
377.26889	2.4
387.25388	41.5
388.25745	2.5
405.26422	96.1
406.26715	9.6
479.30136	100.0
480.30533	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	479.3009
Annotation	Xestobergsterol B
Peak:m/z	Relative Intensity
57.03440	0.9
59.01378	4.1
69.03469	0.9
69.89577	1.6
69.89987	2.7
71.01361	1.3
76.97693	0.7
79.21275	0.7
83.05019	2.1
91.03993	1.7
95.05003	1.4
97.06580	1.4
98.19925	1.1
109.06593	2.1
111.08133	1.5
135.08195	1.4
137.09763	1.3
156.78915	0.7
179.14278	1.1
181.12297	0.9
203.14386	1.3
207.17435	0.9
211.13364	2.5
213.14891	3.7
217.00354	0.8
231.17557	2.1
232.83766	0.8
237.14789	0.8
239.16660	4.2
241.18079	3.2
247.13333	1.1
247.16972	0.8
263.16595	1.1
265.18121	1.9
267.19772	1.4
271.20795	0.9
275.16461	2.6
277.18146	1.5
287.23965	0.9
313.25381	1.2
315.26910	4.8
317.28256	1.1
325.25357	9.1
333.27951	2.2
341.24878	4.4
343.26358	9.7
351.23224	3.4
359.25961	8.2
361.27405	5.1
369.24252	13.3
370.24695	1.1
377.27017	2.9
387.25394	38.2
388.25674	2.9
405.26419	86.2
406.26773	8.2
461.28445	0.8
479.30106	100.0
480.30499	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	479.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	0.7
61.98830	2.1
63.86692	0.3
64.90945	0.4
71.01385	1.1
71.56919	0.4
78.95921	0.4
79.12989	0.3
85.02921	0.4
87.04513	6.4
90.31525	0.4
95.01389	0.4
96.96024	0.8
101.02436	1.0
101.82075	0.3
137.06091	0.4
200.44759	0.3
377.21820	0.6
430.43445	0.3
479.31509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32596	0.3
59.01377	100.0
60.01709	0.5
61.98824	1.0
62.61759	0.3
62.91025	0.3
69.20664	0.3
69.94055	1.6
71.01392	0.4
73.02943	0.4
81.75040	0.3
87.04510	4.5
96.96024	0.8
98.19792	0.3
98.46477	0.3
111.56931	0.3
126.76531	0.3
127.36187	0.3
145.52931	0.3
186.15446	0.3
377.22272	0.4
406.15378	0.4
450.98264	0.4
479.13864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19204	0.7
52.90971	0.7
57.03447	100.0
59.01378	88.6
60.01718	1.7
61.98829	10.4
66.15804	0.7
71.01378	5.9
71.54559	0.8
72.99331	2.2
73.02956	2.5
75.00871	29.3
81.03468	3.2
83.01424	0.9
85.02953	2.1
89.02457	2.7
91.07959	0.7
96.96026	1.2
99.04516	88.2
100.04879	1.2
101.02444	18.5
113.02480	1.5
116.72186	0.8
125.02442	32.4
131.03452	0.8
137.58659	0.7
143.03482	2.0
149.04575	1.4
161.04539	2.3
249.13385	3.8
291.14413	3.7
333.15506	0.8
347.24402	1.4
418.64597	0.8
479.32239	36.1
479.39246	1.7
480.32413	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	479.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56112	0.4
57.03432	0.6
59.01376	100.0
60.01710	0.8
61.98834	2.8
70.41252	0.9
70.41589	0.7
71.01384	1.5
72.99341	0.4
85.02981	0.6
88.29157	0.4
89.02451	0.5
97.07767	0.4
98.69009	0.5
101.02427	0.8
118.10616	0.5
125.02454	0.7
134.00331	0.4
137.17282	0.4
153.01955	0.5
160.01700	1.0
163.00394	0.5
175.03992	1.0
225.11272	0.5
243.12418	0.6
287.15186	1.0
299.05600	0.7
327.05048	2.7
347.17224	0.8
357.05933	0.5
399.16272	0.5
417.08105	2.5
443.15759	1.8
479.12021	0.6
479.21231	1.5
479.31674	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.4
59.01374	2.9
61.98824	2.5
63.92466	0.3
68.99778	0.4
69.03442	0.5
69.33997	2.4
70.27354	0.3
71.01369	0.9
71.05008	1.1
72.99306	1.8
79.19590	0.4
81.03449	13.7
81.03928	0.8
83.01382	2.8
89.02442	0.4
93.03451	0.7
95.01369	0.9
95.05022	5.8
96.96005	0.7
97.02932	4.1
99.04511	13.1
101.02441	0.8
105.03497	0.4
107.00253	0.3
107.04976	0.3
108.02177	0.4
109.02934	0.6
111.03780	0.3
111.04497	1.7
113.02448	0.9
121.02920	0.6
123.04505	5.7
123.64230	0.3
124.01675	0.5
125.02436	32.0
132.02162	1.3
135.04498	0.8
137.02434	4.7
138.03319	0.3
139.04010	3.3
147.04512	1.2
149.02405	1.1
150.03246	1.2
151.04028	0.9
153.51573	0.4
161.02469	0.3
164.01228	0.4
165.01895	0.6
165.05525	1.9
167.03479	100.0
168.03827	2.9
175.03979	0.4
176.01213	0.4
179.03523	2.3
191.03464	1.6
193.01453	0.3
195.06602	0.9
197.04530	18.5
198.04889	0.4
209.04480	0.7
227.05579	0.6
269.06741	1.8
287.07745	7.9
289.06903	0.6
317.06464	0.6
330.92758	0.3
359.07666	20.2
360.08102	1.1
389.08710	4.0
434.69971	0.3
461.10733	0.6
479.11743	4.3
479.25198	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86806	0.8
57.03434	2.4
59.01378	6.2
61.98830	7.7
71.01379	3.2
71.54880	0.8
72.99285	1.2
75.00855	1.0
83.05021	3.5
85.02951	1.4
87.00872	2.8
95.05010	1.2
96.96021	4.1
100.93626	1.0
101.02425	1.3
109.02998	1.0
111.04566	0.9
111.08118	1.0
113.02402	1.8
121.06605	2.1
123.08152	8.2
125.02471	1.2
130.75807	0.9
137.09674	0.9
145.10201	1.5
151.07724	0.9
153.09216	1.4
169.10307	1.1
171.11763	9.3
181.01498	0.9
189.12849	2.9
197.02223	1.5
201.12827	3.1
207.13852	2.3
219.13872	1.3
237.14940	15.0
281.13916	100.0
282.14304	6.6
327.13400	1.4
345.14456	2.4
479.16870	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	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03449	1.4
59.01377	100.0
60.01717	1.2
61.98838	6.7
65.00330	1.3
69.46896	1.6
69.47310	4.2
71.01379	24.3
71.86813	0.8
72.84447	0.8
72.99331	1.7
73.02945	6.3
75.00867	6.1
81.81635	0.7
83.01376	3.4
85.02947	9.8
87.04521	1.1
89.02439	7.9
93.03466	1.4
94.39468	0.7
95.01405	2.2
97.02998	1.0
98.20618	1.6
99.00909	2.6
101.02441	16.0
107.01415	1.4
109.02973	1.0
111.00890	0.7
113.02448	9.3
119.03545	3.4
119.04979	4.6
120.05382	2.2
125.02505	0.9
135.00903	0.8
143.03543	1.5
151.00331	4.2
152.00745	1.3
153.00830	1.3
153.01962	0.8
159.03017	2.3
161.04549	19.4
161.05872	1.1
179.05614	1.8
188.40860	0.9
192.06696	2.2
193.07002	1.5
195.95313	0.8
255.19705	1.5
271.06082	6.2
272.06439	5.0
273.06631	7.5
315.08661	1.4
373.22537	1.3
391.23340	1.0
417.24905	47.5
418.25394	3.3
477.23624	4.2
477.30917	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	478.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
61.98829	100.0
69.19202	0.3
69.19532	3.2
72.99294	0.8
87.65469	0.3
118.38739	0.3
120.01252	1.0
122.24442	0.3
149.02425	0.6
153.05598	0.5
175.71257	0.3
177.01894	0.4
178.02721	0.6
185.32840	0.3
193.05043	2.1
205.85944	0.3
224.04918	0.3
238.06418	0.3
238.60936	0.3
253.05171	0.6
254.05298	0.7
255.05635	0.5
267.06711	1.0
292.38126	0.3
317.10257	4.7
479.25430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68820	14.6
51.97020	14.0
61.98804	22.6
71.47702	20.0
102.92361	13.6
123.68551	14.0
135.56723	13.5
153.27257	15.9
220.81487	14.7
279.23267	100.0
362.15607	15.8
397.77777	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	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
58.00603	0.8
59.01375	100.0
60.01720	2.0
60.06442	0.6
61.98823	3.8
69.18475	1.4
69.18869	6.3
71.01377	23.1
72.99300	2.1
73.02957	1.2
73.06079	0.5
75.00867	1.8
83.01371	1.0
85.02950	5.2
87.00886	2.8
89.02437	34.3
95.01397	2.3
96.96019	1.0
99.00857	1.0
101.02441	14.2
106.06650	0.6
109.02096	0.6
110.62203	0.5
113.02441	11.1
113.03159	1.0
119.03487	14.6
125.02438	1.0
129.01860	0.6
131.03523	2.0
143.03465	4.1
149.04532	1.5
161.04535	4.3
165.12811	1.9
167.65817	0.6
179.05602	15.2
183.13934	2.8
187.14587	0.6
203.67854	0.6
211.13380	0.7
251.18684	0.6
255.10320	0.9
267.07153	0.8
296.47635	0.5
417.24911	4.5
424.06668	0.7
477.18713	5.3
477.25385	1.9
477.30774	1.2
477.74933	1.2
484.16949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03446	4.4
57.31607	0.8
59.01375	20.9
59.46615	0.8
60.01694	1.0
61.98835	1.8
69.03434	2.5
69.89248	2.4
71.01380	20.4
71.05019	1.1
72.99313	1.0
73.02935	7.4
82.36030	0.7
83.01383	2.1
83.05045	1.2
85.02941	7.0
87.00863	1.0
89.02442	6.2
95.01357	1.0
99.00890	2.4
101.02431	15.8
105.05566	4.3
109.06554	1.0
111.08154	9.2
113.02440	7.4
119.03497	1.6
125.02412	0.9
159.02945	1.6
161.04530	6.5
165.12833	53.5
166.13116	4.3
167.13350	0.9
181.12347	1.1
183.13890	62.6
184.14230	10.0
185.14499	4.5
191.10748	1.3
195.13899	1.3
196.14203	0.9
197.15706	0.7
209.11853	6.2
227.12878	22.2
228.13205	11.8
229.13417	10.3
253.13382	1.0
267.10815	13.3
314.93100	0.8
371.88391	0.9
418.35400	0.8
433.20062	1.5
477.23346	100.0
478.23868	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	477.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.8
61.98829	1.4
62.49493	0.8
69.03469	0.9
69.86853	0.7
69.97785	2.6
69.98187	1.4
71.01392	1.0
83.05035	1.8
96.96019	1.8
99.27385	0.7
102.28225	0.8
126.90620	0.7
150.03200	3.1
151.03557	2.4
152.03658	1.0
165.05544	14.3
165.06874	0.9
166.05896	8.4
167.06070	4.9
181.12291	7.4
183.13864	7.5
188.04436	0.8
201.08861	1.3
203.10556	4.5
219.10022	2.2
221.11635	2.0
223.11028	1.6
223.13144	28.5
233.07898	2.1
235.09485	5.7
237.11040	12.8
239.11632	0.9
241.12962	1.4
249.11055	100.0
250.11324	4.1
265.10361	1.9
267.12323	16.2
271.09735	2.8
272.10074	3.4
273.10364	3.8
405.24802	0.9
415.23276	4.5
459.22278	10.7
477.23358	25.6
478.23541	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89525	0.5
53.79706	0.5
60.35442	0.5
61.98814	0.9
69.90774	2.6
78.95898	100.0
93.23306	0.5
96.96956	8.1
131.57689	0.6
140.01120	0.6
152.99564	16.9
171.00621	19.3
199.76004	0.6
213.76549	0.5
236.64296	0.5
279.23212	1.1
354.57925	0.6
377.76563	0.6
400.32751	0.6
402.24185	2.1
476.27783	66.1
477.19089	0.6
477.28079	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	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84787	0.4
57.03447	2.5
57.40289	0.5
59.01376	17.0
61.98826	2.1
64.42882	0.5
67.01887	0.6
68.99807	1.3
69.03448	0.8
70.29501	0.5
71.01381	12.8
72.99301	4.1
73.02922	2.4
75.00864	10.4
81.19260	0.4
83.01373	0.8
83.04969	0.5
83.41113	0.5
85.02942	13.5
85.03465	0.7
87.00878	5.4
89.02438	3.6
93.03436	0.6
95.01385	3.4
97.02940	0.5
97.06593	0.5
99.00873	6.6
101.02432	1.8
103.00313	1.1
107.86591	0.5
109.02935	1.7
109.79705	0.4
111.00893	0.8
111.08134	1.1
113.02444	14.8
115.00381	1.2
117.01920	1.3
120.36896	0.5
122.03699	1.3
125.02440	2.4
129.01938	1.5
137.13301	0.5
149.02347	0.7
157.01358	0.9
163.03986	1.2
165.12831	11.9
175.01151	0.6
175.02463	2.9
178.06320	0.7
183.13878	56.5
184.14227	2.4
187.02342	0.8
193.08661	1.6
209.11786	1.5
227.12831	3.8
231.05014	1.1
249.06111	10.0
256.23706	0.5
262.96002	0.5
263.88730	0.5
267.07172	18.4
267.75070	0.5
267.80881	0.5
268.07614	0.8
273.07635	0.7
273.11240	1.1
273.20633	0.5
301.16580	3.2
302.13882	0.7
358.97382	0.5
397.29520	1.2
415.19797	3.6
417.25217	0.8
433.20248	0.7
435.25980	1.1
459.18521	2.6
460.19077	0.6
477.19705	100.0
478.20016	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	475.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14435	35.3
59.01369	100.0
61.98814	67.1
71.55315	42.9
76.19874	35.5
85.47375	35.8
121.52001	41.0
131.77199	38.4
152.19156	35.4
231.36934	41.1
278.54559	42.5
279.23328	43.8
315.20419	49.7
318.95435	38.1
393.83057	41.5
409.13818	37.1
475.17148	84.3
496.47253	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01363	0.3
61.98793	0.2
63.68964	0.2
67.98842	0.2
70.85732	0.5
78.95904	5.0
88.54066	0.2
93.30997	0.2
98.68298	0.2
113.43513	0.2
140.01175	2.2
152.99545	0.4
193.86267	0.2
196.03792	1.2
214.04822	2.8
243.21201	0.2
261.22229	0.3
279.23264	100.0
280.23605	6.3
476.27792	11.0
477.28195	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	0.3
62.96396	0.5
69.55925	1.5
69.56335	0.7
73.99065	0.3
75.19420	0.3
78.95899	26.5
96.96960	1.0
98.19933	0.5
114.33028	0.3
116.96260	0.3
118.65638	0.3
122.00110	0.8
140.01187	5.8
148.86629	0.3
152.99602	3.3
171.00665	1.7
196.03787	9.4
214.04799	2.5
249.96051	0.3
261.22192	0.6
279.23260	100.0
280.23633	6.1
300.05444	0.4
322.58240	0.3
476.27786	39.4
477.28256	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69187	0.2
59.01377	100.0
60.01722	0.7
71.01397	1.0
73.02984	0.4
81.03451	0.6
89.02454	0.6
89.87543	0.3
98.20631	0.9
99.04528	1.1
101.02451	0.8
113.02472	0.6
117.03481	0.4
119.03578	0.3
123.04543	0.4
125.02459	1.7
137.02489	0.4
153.78311	0.3
167.03494	5.3
179.05844	0.3
197.04591	1.1
283.06125	0.6
284.03143	0.4
304.40073	0.3
311.05621	0.9
313.07281	0.6
415.23602	0.7
475.09229	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	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34389	0.3
51.37067	0.3
59.01377	100.0
60.01721	1.0
61.98819	0.4
64.73100	0.3
69.56586	2.1
71.01339	0.3
72.16520	0.3
88.94006	0.3
92.26569	0.3
109.57059	0.3
113.02428	0.3
113.12779	0.3
117.03501	0.6
120.94340	0.3
122.14321	0.4
271.09833	0.4
313.07468	0.5
473.58417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69187	0.2
59.01377	100.0
60.01722	0.7
71.01397	1.0
73.02984	0.4
81.03451	0.6
89.02454	0.6
89.87543	0.3
98.20631	0.9
99.04528	1.1
101.02451	0.8
113.02472	0.6
117.03481	0.4
119.03578	0.3
123.04543	0.4
125.02459	1.7
137.02489	0.4
153.78311	0.3
167.03494	5.3
179.05844	0.3
197.04591	1.1
283.06125	0.6
284.03143	0.4
304.40073	0.3
311.05621	0.9
313.07281	0.6
415.23602	0.7
475.09229	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	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01718	0.8
61.04681	0.3
71.01398	0.7
71.33291	0.6
80.70310	0.3
82.23871	0.3
113.02489	0.5
125.95725	0.3
127.09219	0.3
165.35696	0.4
170.38188	0.3
188.04764	0.3
238.06883	0.3
327.21674	0.4
373.22449	0.3
381.16568	0.4
407.01056	0.3
415.23605	0.9
475.25632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64466	0.5
59.01377	100.0
60.01692	0.9
69.57339	3.3
71.01380	2.3
73.02945	0.8
73.20445	0.5
75.13431	0.6
77.36461	0.5
85.02962	0.7
89.02452	1.1
91.44860	0.5
96.96008	2.9
98.95604	3.0
98.96452	0.5
99.92592	2.4
100.93401	0.5
101.02442	1.7
113.02445	1.3
115.92087	5.0
116.92860	24.5
120.26330	0.5
133.34837	0.6
133.41710	0.6
184.91833	0.6
355.21393	1.6
373.22211	3.7
415.23416	5.3
431.10059	1.3
442.90747	0.6
475.08957	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	475.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75285	4.4
54.50144	5.0
56.87523	4.7
58.78386	4.1
59.01381	16.8
61.02760	4.5
69.35992	12.2
69.36401	30.9
78.95895	100.0
84.74184	4.7
120.41007	4.5
152.99574	21.3
155.08650	4.8
171.00653	21.3
177.01759	5.0
197.02200	8.1
277.21695	73.0
369.51978	4.9
380.50937	5.6
448.50208	5.9
475.08633	5.3
475.34509	9.1
476.27740	79.5
476.34122	7.9
503.18130	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	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67129	1.2
59.01375	100.0
60.01702	1.8
60.44709	1.2
61.98841	2.3
69.03476	1.3
69.91422	1.3
70.40292	3.6
70.40648	1.5
71.01379	23.9
72.99271	1.6
73.02943	14.4
83.01381	3.8
85.02946	10.7
89.02454	9.4
91.09853	1.2
95.01360	2.6
95.68503	1.3
99.00870	3.0
99.04547	1.3
101.02435	20.1
113.02443	17.8
117.03412	2.5
119.03484	4.4
119.04955	1.9
125.02444	2.3
135.04471	1.6
143.03532	1.2
154.55316	1.1
160.49838	1.3
161.04488	8.4
179.05595	1.7
225.05496	2.9
228.26404	1.4
253.05032	24.3
283.05981	3.7
311.05615	6.6
313.06909	3.0
323.05667	1.3
355.07700	1.4
371.20746	2.7
389.21722	14.3
415.10394	1.7
415.18866	2.9
415.23358	5.6
431.09326	1.7
431.22910	3.7
433.20264	2.7
475.10049	4.8
475.21942	2.8
476.21045	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	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.4
59.01377	100.0
60.01717	6.3
61.01805	6.9
61.06598	0.7
61.98830	4.6
67.00599	0.7
69.49664	2.7
69.50084	2.2
71.01382	12.0
72.83040	0.7
73.02946	6.0
75.00876	0.9
83.01393	2.7
85.02960	4.9
89.02432	4.6
90.71824	0.7
93.03471	1.0
95.01430	0.9
96.95991	1.0
99.00917	1.0
101.02438	8.6
107.01419	1.1
109.02968	1.1
113.02451	7.2
117.03482	2.8
119.03506	1.5
119.05032	2.2
121.02966	2.5
123.04596	1.1
125.02437	1.5
143.03514	1.1
151.00374	4.7
151.04062	1.0
161.02516	0.9
161.04530	5.4
163.04012	1.0
165.01976	1.6
165.12869	1.7
175.04033	1.1
179.05637	1.1
180.04262	1.0
203.05603	1.1
219.02942	0.9
227.16536	0.7
253.04999	1.7
253.08836	0.7
257.75278	0.8
271.06192	10.2
271.09875	2.2
272.06638	0.8
283.06161	2.2
283.14703	0.7
284.03278	0.9
299.05627	1.9
311.05713	2.2
313.07324	2.0
327.21896	1.5
359.80328	0.9
371.20538	4.1
389.21902	4.7
415.23462	4.0
431.22815	3.2
475.08463	1.0
475.13104	1.4
475.24045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46106	0.7
55.95792	0.7
59.01377	100.0
60.01706	1.7
61.01780	1.2
61.98827	1.6
63.02376	1.1
65.00311	1.7
70.15518	1.9
70.15910	1.6
71.01385	8.2
73.02936	2.7
83.01378	2.2
85.02944	3.4
88.97447	0.8
89.02436	3.8
93.03442	1.8
95.01350	1.0
98.20597	1.1
101.02447	5.8
107.01395	2.7
113.02435	5.6
117.03455	1.2
119.03481	2.4
119.05012	7.2
123.04522	1.2
135.04495	1.4
143.98367	0.8
151.00374	10.2
151.04007	1.0
159.02936	0.9
161.04552	1.8
165.01880	2.8
177.01880	1.1
183.23138	0.8
271.06119	25.7
272.06320	1.9
283.05972	0.8
299.05518	0.9
311.05377	1.0
313.07004	1.2
389.21860	4.9
403.05893	0.8
415.23242	2.6
431.22824	5.1
433.20990	1.1
475.13232	4.2
497.81818	0.8
501.03345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37683	0.7
59.01374	14.2
71.01377	3.3
73.02941	5.0
92.30762	0.7
101.02435	2.9
111.08160	1.0
113.02432	1.5
165.12834	24.0
177.12753	0.9
180.09697	0.6
183.13881	77.3
184.14255	4.0
185.67200	0.7
195.13879	11.4
197.15468	2.0
207.13837	1.4
209.11797	2.7
225.14960	1.9
227.12865	100.0
228.13211	3.7
228.32780	0.8
239.12846	0.7
251.12866	2.0
253.09183	0.9
269.13901	2.8
321.41205	0.8
418.70029	0.9
431.19376	3.7
475.21698	10.2
476.22165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78533	1.3
58.00589	3.3
59.01376	100.0
71.01377	50.3
71.56445	2.1
72.99300	2.2
73.02948	12.1
74.28951	1.4
83.01393	1.7
85.02959	6.3
87.00870	5.8
88.98789	4.9
89.02438	75.8
93.96468	1.3
98.25086	1.4
99.00931	1.6
101.02433	36.1
109.02994	1.7
113.02441	12.5
113.06716	1.3
119.03493	7.1
125.02469	2.9
130.31564	1.3
131.03490	35.0
132.02193	1.5
133.02946	2.2
143.03540	1.7
149.04544	77.0
157.06279	1.3
160.01633	3.4
161.02272	2.4
161.04556	4.4
175.04034	3.2
176.04289	2.7
191.05589	16.0
193.05032	2.7
197.06119	2.0
199.45842	1.3
209.06198	1.6
225.05559	1.6
241.05055	14.8
241.58978	1.5
251.07875	2.0
252.04346	1.7
253.05051	18.7
255.03050	1.9
269.04495	2.3
270.04916	4.1
271.05759	4.9
271.09680	3.8
283.06094	4.6
293.08804	1.9
295.15564	2.4
311.05511	6.7
415.10562	3.3
415.16000	23.5
415.22351	3.0
431.09830	2.8
475.07813	8.5
475.17273	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40408	1.0
58.60028	1.2
59.01361	3.0
61.54333	1.2
69.47034	4.9
69.47460	3.9
71.01381	13.2
71.97384	1.2
72.99304	9.8
73.86086	1.3
87.01709	1.2
89.02429	8.2
94.98624	1.2
100.64816	1.3
115.00367	36.6
116.76053	1.3
116.87612	1.2
131.04590	1.4
132.94649	4.9
133.01425	100.0
134.01797	1.5
140.41614	1.3
149.04535	15.5
188.14569	1.2
242.47893	1.4
252.00754	1.3
269.73526	1.5
341.10791	4.3
377.08499	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	475.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24577	0.2
57.39353	0.2
59.01377	8.3
61.98827	0.3
70.23422	0.6
71.01387	0.5
73.02955	0.2
75.90205	0.2
85.02943	0.3
86.27753	0.2
93.03455	3.9
93.46236	0.2
101.02467	0.3
107.01383	0.4
108.02171	0.8
109.32807	0.1
113.02454	0.3
115.35091	0.2
119.05029	1.3
122.03735	4.1
123.04516	0.5
130.94376	0.2
135.00925	0.4
136.01659	0.6
149.02444	0.3
150.03214	24.6
151.03552	0.6
153.01860	0.2
161.04443	0.2
165.05556	100.0
166.05893	3.0
177.05566	0.7
234.44478	0.2
238.06265	0.5
253.08701	0.7
255.06688	0.2
266.57904	0.2
269.08188	0.4
270.08633	0.5
271.09729	31.3
272.10074	1.8
415.13803	0.7
415.26880	0.6
433.27979	1.0
475.09195	0.3
475.15930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1242
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
57.03429	1.3
57.22028	0.7
57.41108	0.7
59.01375	64.0
60.01694	1.7
61.01783	1.1
61.98827	5.5
63.02385	2.0
65.00319	6.4
68.87769	0.7
69.28337	6.3
71.01376	9.4
72.99284	0.8
73.02945	4.3
75.00872	1.7
83.01380	6.3
83.20441	0.7
83.89601	0.6
84.69692	0.7
85.02968	4.0
87.00883	1.5
89.02444	4.4
93.03456	7.9
95.01366	1.3
97.02940	0.9
99.00906	1.2
101.02445	7.9
106.47793	0.7
107.01386	11.3
107.19119	0.7
108.02138	0.9
113.02451	5.3
113.62125	0.7
117.03466	3.8
119.03588	1.4
119.05018	38.0
120.05347	1.3
121.02963	1.5
123.04506	1.4
125.02425	3.5
131.01357	1.2
135.04510	1.9
137.02400	1.4
137.09752	0.9
143.03520	0.8
143.04997	4.0
145.02936	1.7
147.03009	0.6
149.02496	0.9
151.00351	45.4
151.03955	2.5
159.08107	0.7
160.01678	0.9
161.02399	1.9
161.04549	4.3
163.04045	0.9
163.07666	1.5
165.01909	2.5
167.03464	2.1
169.01416	0.7
173.11678	0.9
175.00374	5.2
175.03900	1.2
177.01903	4.7
183.08119	0.7
185.06052	6.0
187.03963	1.2
193.01357	2.1
193.05029	0.8
217.01547	1.0
227.07112	48.7
228.07433	2.5
230.01051	0.7
235.16986	0.9
241.04349	0.8
243.06633	0.9
247.89018	0.7
253.05127	1.7
253.17950	0.8
265.17941	1.0
268.03735	3.1
269.04169	4.2
270.01883	0.8
270.04343	4.8
271.06088	100.0
272.06387	4.8
283.06070	3.6
283.19077	1.7
284.03311	4.3
284.06107	1.1
295.06143	4.2
297.00031	0.7
299.05551	3.6
311.05545	5.0
312.06046	1.1
313.07138	6.0
327.21744	3.0
343.21365	1.5
355.07880	0.9
361.16879	0.8
415.10110	5.6
415.23364	13.3
433.24561	1.7
475.11850	14.2
475.22079	7.2
476.21597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1259
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
55.01875	0.8
55.36412	0.2
57.03450	0.9
57.27931	0.2
59.01377	28.1
60.01712	0.6
61.01805	0.5
61.98829	2.2
63.02392	3.4
65.00318	4.2
68.99818	0.4
69.03468	0.2
69.21585	2.1
71.01376	5.9
71.05030	0.2
72.99313	0.3
73.02942	6.1
75.00876	0.6
75.93509	0.2
81.03449	0.4
83.01384	4.0
84.57269	0.2
85.02966	1.2
87.00873	0.5
89.02436	1.5
93.03454	0.5
95.01407	0.7
96.12058	0.2
96.96032	0.3
97.02938	0.2
99.00909	0.3
101.02443	4.8
101.03928	1.0
107.01383	4.9
109.02956	0.6
111.08162	0.4
113.02446	1.4
115.05550	1.2
117.03451	1.6
119.03480	0.4
119.05043	0.8
121.02941	0.4
123.04510	0.4
124.01650	0.5
125.02438	5.7
129.01903	0.4
130.12927	0.2
131.03494	0.2
136.01709	0.3
137.02417	0.4
137.09721	0.3
139.00394	0.2
139.05557	1.0
141.07118	0.6
143.05019	2.4
145.02962	1.1
145.06602	0.6
147.00890	0.2
147.03020	0.4
148.01653	0.2
151.00360	7.8
151.04037	0.4
151.05493	0.2
152.01169	0.6
153.07095	0.5
157.06520	0.6
161.02412	0.5
161.04544	0.7
161.06070	1.9
163.04034	0.5
164.01172	0.7
165.01875	1.1
165.05672	0.4
165.07088	1.9
167.05040	0.5
169.01384	0.2
169.06587	0.5
171.08112	0.2
171.10301	1.6
175.02521	0.3
175.03999	0.7
177.01886	0.6
178.99849	1.1
179.05559	0.4
180.05753	1.1
181.06551	1.6
183.04497	0.4
183.08095	0.3
185.06070	1.4
187.04041	0.4
187.07635	0.4
193.05106	0.5
195.04413	0.2
197.06067	3.2
199.07623	0.5
203.07144	0.3
208.05257	0.5
209.06055	5.9
210.06364	0.4
211.03986	0.6
211.07559	0.3
213.05492	0.3
218.61797	0.2
219.02856	0.4
225.05499	1.1
226.06366	0.3
227.07153	1.0
237.05533	0.6
243.06602	3.3
253.05034	100.0
254.05379	5.0
255.06569	1.8
265.18118	0.5
271.06122	2.9
271.09430	0.4
273.18610	0.3
283.06049	0.6
283.18970	1.0
284.03275	0.6
291.19504	0.3
299.05563	0.6
309.20654	0.4
311.05682	0.7
313.07144	1.0
327.21759	4.1
401.49274	0.2
415.23438	1.0
475.12418	71.5
475.25549	3.2
476.12708	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	475.1256
Annotation	Naringenin 7-O-beta-D-glucoside 6''-acetate
Peak:m/z	Relative Intensity
54.56431	0.4
55.01878	0.6
59.01376	55.2
60.01709	3.1
61.01802	2.0
61.98824	0.9
63.02392	2.1
65.00319	6.0
69.32581	2.2
69.32982	0.7
71.01380	4.8
71.67508	0.3
72.99272	0.4
73.02949	2.0
75.00878	0.7
83.01388	3.8
85.02944	1.7
85.03532	0.3
87.00915	0.5
89.02425	1.9
93.03454	8.0
95.01398	0.5
98.19864	0.7
99.00856	0.7
101.02419	3.2
104.28062	0.4
107.01387	10.9
108.02227	0.6
109.02969	0.5
113.02454	3.0
117.03447	1.3
119.05020	31.1
120.05357	1.2
121.02959	0.7
123.04485	0.4
125.02449	1.1
129.01950	0.6
135.00865	0.6
135.04501	2.6
136.01639	0.6
137.02394	0.7
143.04991	0.3
145.02942	0.8
151.00360	36.3
152.00766	1.2
161.04573	1.6
163.03947	0.4
164.01128	0.4
165.01939	7.8
175.00365	1.1
175.38564	0.4
177.01918	5.7
187.03976	0.5
193.01334	0.6
197.06084	0.6
219.03038	0.6
225.05449	0.7
225.14999	1.0
227.07106	0.7
241.05005	0.6
243.06595	0.8
253.04999	1.4
265.18103	0.6
270.04617	0.5
271.06094	100.0
272.06372	5.7
281.00861	0.4
283.06046	0.8
283.19159	1.8
284.03204	0.9
295.06049	0.5
297.00531	0.4
311.05435	1.0
313.07217	2.6
327.21686	3.4
341.06653	0.4
364.79623	0.4
389.21912	2.3
415.23334	1.1
431.22858	1.3
475.12958	7.1
475.25357	3.0
476.13040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0895
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
53.61379	0.4
53.66915	0.4
55.01875	0.7
57.03436	2.1
59.01377	45.8
60.01714	2.1
61.01804	1.0
63.28199	0.4
67.01877	0.4
68.99816	0.7
69.55482	2.4
71.01380	11.9
72.99306	1.5
73.02933	2.8
75.00869	4.4
79.50150	0.4
81.38596	0.4
83.01392	1.4
85.02947	21.3
85.12135	0.4
86.03283	0.4
87.00871	3.3
89.02446	3.1
91.01878	0.9
95.01388	6.0
99.00877	6.2
101.02432	2.7
103.00350	3.6
107.00631	0.4
107.01373	0.9
109.02934	0.5
111.00882	0.6
113.02448	38.1
114.02808	0.8
115.00356	1.6
117.01949	2.6
119.03475	0.4
122.02460	0.5
127.20191	0.4
129.01901	1.5
133.01375	0.5
133.03036	0.6
134.03770	0.8
135.00896	1.9
135.04539	4.5
150.99290	0.4
151.00275	1.9
153.01900	0.7
157.01442	1.1
161.04515	0.8
175.02460	10.0
175.03960	0.6
197.84842	0.4
199.35432	0.4
211.03996	0.8
212.04742	0.6
213.18233	0.3
218.88969	0.5
227.03763	0.8
227.63243	0.4
255.02966	1.2
256.03726	5.8
271.06134	3.4
283.02350	0.6
283.06064	0.5
284.03244	87.4
285.03644	4.9
299.05582	100.0
300.05984	5.3
311.05627	0.6
312.05869	0.6
313.06570	0.8
341.06744	0.8
415.23486	1.4
431.19241	1.3
433.24353	0.7
475.08307	10.2
476.08954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0879
Annotation	Clerodendroside
Peak:m/z	Relative Intensity
59.01382	5.7
60.99296	1.9
61.98821	1.4
69.55180	3.8
71.01378	1.8
73.54905	0.6
77.03957	2.3
79.01888	1.9
83.01395	0.5
87.00871	2.8
88.98801	8.9
89.02424	1.6
93.03455	2.2
96.96002	0.7
101.02445	1.0
109.02935	1.5
117.03458	9.5
119.04984	1.3
121.02931	3.4
125.02425	0.8
133.02957	1.2
134.42525	0.5
135.04535	1.6
149.02415	1.3
159.04463	2.2
161.02460	6.6
161.04593	0.7
162.02908	0.6
163.00380	1.1
163.04022	2.1
165.01892	2.7
173.06137	0.6
175.00394	0.7
180.05833	1.1
182.03708	1.4
183.04495	2.1
183.08131	1.5
189.02034	0.7
193.06534	0.7
195.06538	0.7
196.05263	1.0
197.06059	2.0
210.06769	1.0
211.07574	1.6
219.02855	0.6
224.04745	1.7
225.05563	1.4
237.61632	0.6
239.07106	3.4
241.04990	3.2
243.06592	1.0
251.07394	0.7
253.05089	4.7
254.05823	1.3
255.06564	1.2
268.03738	0.7
269.04486	5.6
270.04944	0.7
271.06009	1.7
281.04553	9.1
282.05222	3.1
283.06088	79.0
284.06442	3.6
293.04593	3.2
295.06064	7.7
298.04712	1.2
308.03152	0.7
309.04111	2.2
311.05579	100.0
312.05939	6.2
314.04395	3.6
323.05563	15.3
324.06030	0.7
325.03534	0.8
325.07028	1.1
337.03299	1.4
339.04871	0.9
341.06607	25.9
342.06903	1.4
353.06744	2.0
355.04517	1.6
383.07669	1.1
385.05658	2.6
404.80920	0.7
431.09778	24.5
432.09976	2.1
475.08771	96.9
476.08981	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	475.0878
Annotation	Isoophioglonin 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.32459	0.6
59.01376	2.4
62.77861	0.6
65.69267	0.7
70.72285	1.5
70.72623	1.2
71.01380	0.8
77.03954	2.3
79.01906	1.6
82.64532	0.7
88.98766	0.9
93.03448	1.9
96.96081	0.8
101.20766	0.6
103.01894	0.7
105.03423	1.2
106.22417	0.6
107.01394	1.0
117.03467	13.1
119.01377	0.9
119.04989	1.3
121.02959	2.1
123.00906	0.9
131.01393	1.7
133.02951	0.9
135.04526	2.7
145.02901	0.9
147.00897	0.8
149.02420	2.8
159.04518	2.5
161.02431	5.3
163.04002	3.4
165.01958	1.1
173.02397	1.4
175.00371	5.2
175.04057	0.7
176.53482	0.7
189.01862	1.4
191.03447	2.5
196.05196	0.7
201.05508	0.7
203.03468	1.2
205.01404	0.9
217.01404	1.9
218.99332	1.1
225.05589	1.0
237.05577	1.1
239.07042	1.0
241.04922	1.1
243.06714	0.9
252.04233	0.7
253.05092	1.8
265.05142	1.4
268.03693	2.1
269.04495	1.8
281.04480	2.6
282.05292	1.2
283.06116	41.5
284.06424	1.9
293.04541	3.1
295.02701	0.9
295.05936	1.5
307.02786	0.7
308.02872	0.9
309.04083	6.1
311.05603	40.3
312.05969	2.8
323.05609	2.9
337.03513	29.3
338.03793	1.9
341.06738	4.0
355.04535	4.2
355.08325	0.9
385.05576	1.2
389.54773	0.8
431.09872	2.3
439.29236	0.7
457.07715	23.0
458.07932	2.2
475.08780	100.0
476.09140	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	474.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26119	0.2
56.86849	0.2
58.47592	0.2
59.01375	12.7
60.01707	0.8
61.81938	0.2
61.98827	100.0
63.58572	0.2
66.40072	0.2
70.18175	1.1
74.59675	0.2
79.27046	0.3
93.03452	2.4
101.02475	0.3
109.51001	0.3
121.02888	0.2
137.02437	4.4
147.04561	0.3
148.05295	25.7
149.05652	0.7
157.80435	0.2
163.07637	32.3
164.08014	1.3
239.09575	0.3
312.05923	0.4
332.48035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30640	0.2
59.01381	1.4
61.98838	0.3
71.01400	0.2
71.58078	0.2
78.95902	6.7
85.19028	0.1
91.07774	0.1
91.87370	0.1
100.37341	0.2
106.93788	0.1
115.40549	0.1
122.00071	0.3
127.07653	0.2
137.00055	0.1
140.01186	2.4
152.99586	0.8
162.83923	0.2
196.03796	1.2
205.19571	0.1
214.04858	3.5
214.06770	0.3
233.22725	0.2
241.97516	0.1
244.37721	0.1
259.20660	0.3
275.20074	0.4
277.21695	100.0
278.22028	6.2
293.21234	0.2
438.08826	0.1
474.26233	12.4
475.26675	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99098	0.3
59.01378	2.3
61.98816	0.7
70.00166	1.4
78.95901	34.3
96.95984	0.4
96.96950	1.1
98.72285	0.3
122.00136	0.9
134.04767	0.4
140.01180	7.3
144.62904	0.4
151.19234	0.3
152.99577	3.4
171.00647	1.9
196.02034	0.8
196.03783	11.8
205.19679	0.4
214.04848	2.7
233.22586	0.3
277.21701	100.0
278.22043	6.7
474.26236	42.5
475.26440	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	475.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38870	0.6
59.01373	12.3
61.98827	0.6
69.30097	4.5
70.33591	0.6
71.01382	1.7
73.02933	0.9
76.36236	0.6
77.03954	3.4
79.01902	2.2
83.94206	0.6
85.02949	0.9
87.30468	0.6
89.02479	1.0
93.03423	2.7
95.01420	0.9
97.02976	0.5
101.02447	1.4
103.01907	0.7
104.76025	0.6
109.02951	1.0
117.03457	8.9
119.05053	1.0
121.02954	2.9
123.04529	0.7
132.02153	1.2
133.02950	1.4
135.00880	1.3
135.04501	1.5
137.02515	0.6
137.87439	0.6
149.02505	0.8
159.04547	2.5
160.01666	1.1
161.02437	4.9
163.00427	0.8
163.04012	0.7
165.01888	2.1
169.06602	0.9
173.06174	0.6
175.00417	0.8
175.04056	1.6
176.04396	0.8
180.05753	0.9
182.03857	0.8
183.04453	1.9
183.08124	2.2
195.04468	0.8
195.08200	1.0
196.05287	1.3
197.06058	1.8
209.06067	1.3
210.06828	1.1
211.04179	0.6
211.07686	1.4
223.04048	1.8
224.04718	3.0
225.05536	0.9
239.07224	3.2
240.04286	0.7
241.05017	0.9
243.06537	0.8
251.03415	0.7
252.04248	13.6
253.05026	62.8
254.05424	4.0
267.06512	0.7
269.04575	5.8
271.06049	2.1
279.06470	1.4
281.04489	11.6
282.05356	3.8
283.06088	81.9
284.06430	5.0
293.04492	2.3
295.06097	9.4
295.09094	0.9
296.06464	0.7
298.04752	0.8
308.03140	1.0
309.04047	2.3
311.05576	100.0
312.05954	6.2
314.04373	3.5
323.05563	13.9
324.05914	1.0
337.07025	0.6
341.06631	26.7
342.06915	1.9
353.06573	2.5
355.04422	1.3
355.08411	0.7
383.08157	0.7
413.08746	1.3
415.10324	13.4
416.10645	0.7
431.09802	25.4
432.10077	2.5
475.08737	97.1
476.09146	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60661	0.5
59.01376	100.0
60.01737	0.7
61.98830	2.5
62.40893	0.5
70.70737	0.8
70.71088	1.1
70.86224	0.5
71.01382	6.2
73.02935	3.7
83.01395	1.5
85.02961	1.8
87.00909	0.6
89.02444	4.6
90.38391	0.5
95.01392	0.8
99.00883	0.8
101.02441	7.6
110.53631	0.5
113.02454	2.5
117.89442	0.5
119.03516	2.1
123.04565	0.7
131.03543	0.8
135.04532	0.5
138.06653	0.5
143.03520	0.8
149.04564	0.7
150.05611	1.1
161.04582	1.9
162.05598	3.2
163.05936	1.5
166.05104	0.6
179.05623	0.8
283.06073	2.4
286.11017	0.9
287.11212	1.2
311.05704	2.3
353.10379	0.9
353.19730	1.0
371.20636	5.6
413.21747	4.4
436.14056	0.9
437.14392	1.6
473.10962	1.1
473.27786	1.7
495.42303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	0.6
71.01379	0.5
74.57729	0.3
86.58145	0.3
91.79335	0.3
101.02434	0.3
273.93860	0.3
413.22229	0.5
473.11322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01734	0.6
69.25608	1.4
69.26029	2.2
71.01382	1.0
72.66977	0.3
73.02934	0.4
87.12038	0.3
208.46088	0.4
269.14014	0.8
271.72433	0.4
413.21765	0.7
473.24246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93783	1.4
59.01376	97.0
66.99938	1.6
71.01376	11.8
73.02940	5.6
85.02968	3.3
86.80554	1.5
87.00807	1.8
89.02443	5.4
92.16230	1.5
93.03470	2.3
95.01320	1.9
96.96011	2.2
101.02436	7.2
102.80680	1.5
106.08932	1.6
113.02426	3.4
117.03443	12.2
119.03485	2.8
119.05025	2.7
121.02992	1.8
125.02563	1.5
125.92374	1.7
135.04521	7.5
149.02409	4.0
149.05890	2.1
161.02409	4.3
161.04456	1.8
163.03970	4.0
164.04716	2.6
175.00311	4.7
175.04007	2.8
189.01936	2.9
189.05634	1.6
189.12851	2.3
190.02711	12.2
191.03380	2.4
203.03564	2.0
205.05035	16.6
223.05971	2.4
281.04443	1.8
282.05209	2.6
283.06036	4.3
295.05984	6.1
296.06720	2.8
297.07626	39.2
298.07819	1.9
309.07852	2.0
311.05530	3.9
323.05545	4.4
325.07162	18.9
326.07501	1.9
328.05994	4.1
335.05429	3.2
337.07184	4.4
353.06616	85.8
354.07016	5.0
354.16629	1.7
365.06424	5.4
383.07623	19.5
387.20096	2.8
395.08292	2.1
413.08960	1.9
473.10806	100.0
473.16757	13.1
474.11166	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	473.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55548	1.7
55.65147	1.6
57.85726	1.5
59.01376	100.0
71.01376	13.8
71.56892	2.8
71.60612	1.6
73.02939	8.7
85.02953	5.6
87.00887	2.3
89.02435	4.5
93.03454	2.2
101.02433	8.8
113.02445	6.2
116.04915	1.7
117.03505	9.9
119.03467	3.5
119.05011	2.6
133.06508	2.1
135.04477	5.4
149.02480	2.8
161.02371	4.1
161.04565	2.7
163.04034	3.2
164.04837	1.7
175.00372	4.3
175.03996	2.7
177.05531	2.0
189.12788	2.3
190.02637	14.8
191.03484	3.3
205.05025	14.3
223.06036	2.5
230.69286	1.9
254.05437	1.7
268.07367	2.2
282.05380	4.1
283.05991	2.6
295.06088	5.6
296.06747	4.3
297.07632	39.4
298.07993	2.7
307.06113	4.9
309.07587	2.4
311.05432	3.4
323.05502	3.6
324.05722	2.1
325.07092	20.7
328.05829	2.8
335.05621	3.6
353.06631	91.4
354.06979	6.3
365.06760	3.9
373.40338	1.7
383.07678	20.7
387.20190	4.2
455.09698	2.7
473.10782	98.1
473.16800	15.0
474.11130	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	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
58.00572	1.6
59.01374	100.0
69.25946	8.0
69.26377	5.5
71.01381	21.0
73.02949	8.7
83.01378	3.0
85.02947	6.4
87.00829	2.1
89.02428	6.9
95.01409	1.6
99.00879	1.9
101.02433	13.6
113.02435	8.5
117.03423	3.5
119.01428	3.0
119.03476	3.8
134.03734	3.7
135.04509	3.6
147.00856	3.8
148.65230	1.4
149.02460	9.7
160.01642	6.8
161.04515	6.0
161.25380	1.4
161.53357	1.3
163.03979	2.0
164.04793	8.0
175.00339	19.9
175.04036	8.2
179.07094	2.1
189.12823	2.7
190.02695	58.5
191.03258	2.3
193.04985	2.4
205.05034	64.4
206.05554	2.4
223.06065	17.4
235.06067	1.3
268.03510	1.5
269.04483	1.4
296.06509	2.2
297.07611	12.8
325.07114	8.4
328.05685	2.1
335.15945	1.3
353.06625	32.0
354.06961	3.1
365.06699	3.0
383.07513	8.1
387.20044	4.7
431.15439	3.6
431.22586	1.6
455.09763	1.4
471.68570	1.3
473.10562	36.7
473.16617	86.1
474.10843	2.3
474.16928	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	473.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46989	0.8
55.23735	0.8
55.29048	0.8
57.03442	1.2
58.01198	0.9
59.01375	24.1
62.88506	0.9
70.43375	2.8
71.01373	9.0
73.02932	4.1
75.00900	0.9
83.01379	1.4
85.02951	4.1
86.10369	1.0
87.00861	1.1
89.02455	3.9
90.57787	0.8
92.17283	1.0
93.03466	2.3
93.83578	0.9
95.01393	2.1
99.00883	2.5
101.02425	9.9
105.05566	1.8
113.02461	5.2
116.98676	0.8
117.03478	2.8
119.01378	4.1
119.03526	2.0
121.02946	3.0
132.02203	0.8
134.03677	1.9
135.02991	2.4
135.04521	4.0
147.00851	3.3
147.04497	1.4
149.02417	12.4
149.06053	1.3
152.01147	1.6
160.01628	3.1
161.02425	1.8
161.04533	1.8
163.04021	2.5
164.04774	11.8
165.05339	1.3
168.56270	0.8
169.05043	1.5
175.00348	30.5
175.04001	3.3
177.01982	1.1
179.07141	1.6
189.01910	1.1
190.02701	83.2
191.03166	3.7
193.05034	1.3
197.65506	1.1
205.05032	100.0
206.05420	3.2
208.03688	1.4
209.04488	1.0
223.06100	25.7
223.22406	0.9
236.87842	0.8
268.03827	4.6
268.06363	0.8
269.04654	1.2
269.07718	0.8
281.04401	0.9
293.82849	1.0
295.06128	2.5
296.06845	2.4
297.07620	12.0
307.05899	1.3
313.40979	0.8
325.07053	5.6
328.06177	1.3
335.05157	1.0
351.05334	0.9
353.06598	27.2
365.06796	2.0
383.07562	8.2
451.80194	1.0
455.19772	0.9
458.14246	1.3
473.10580	31.1
473.16611	94.9
474.10944	2.4
474.16992	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50716	0.6
57.03447	0.7
59.01377	20.1
61.98809	0.8
64.74168	0.7
66.75298	0.6
71.01379	9.5
71.57405	0.9
71.59850	0.6
72.99295	0.8
73.02937	4.2
78.35149	0.6
81.82978	0.7
83.01367	0.7
85.02943	3.2
85.99158	0.6
87.00878	1.2
88.98822	0.8
89.02422	4.3
93.03462	2.5
95.01348	1.4
96.96004	1.3
99.00912	0.7
99.04526	0.8
101.02427	6.9
109.02966	0.7
113.02440	3.2
117.03457	9.0
119.03503	1.4
119.05011	1.7
121.02936	0.9
132.02168	15.6
133.02914	2.2
134.03740	26.0
135.04474	2.8
135.06633	1.7
137.02423	1.5
145.02959	0.7
147.04520	1.2
149.02420	3.4
149.06075	4.3
156.37570	0.7
159.04472	1.7
160.01654	83.4
161.02396	4.1
161.04488	1.2
161.06085	1.1
163.00340	0.6
163.03999	2.2
164.04802	1.3
165.01923	1.1
167.03435	1.3
173.06087	1.0
175.03990	100.0
176.04356	3.3
177.01894	1.2
177.05539	1.6
178.02673	1.8
179.03468	1.3
181.67979	0.6
183.59081	0.7
187.04077	0.9
189.01968	1.7
189.05461	0.8
191.03468	2.2
191.07098	1.2
193.05048	37.7
194.05415	1.5
203.03450	1.7
205.05101	1.4
207.06621	0.7
219.32266	0.7
221.04443	0.9
224.08340	0.8
235.06082	7.1
259.02423	0.7
265.07181	1.4
267.07074	2.5
268.03717	1.3
268.07379	1.4
269.04507	2.9
269.07458	0.7
273.07581	2.5
279.06503	0.8
281.04617	0.9
282.05304	2.4
283.06033	6.0
295.05765	5.6
296.06830	5.0
297.07629	24.9
298.08090	1.7
307.06125	2.0
309.07785	4.7
311.05670	3.3
321.07565	0.9
323.05569	3.1
324.06400	1.9
325.07150	9.5
326.07504	0.8
328.05853	5.4
331.59219	0.8
335.05661	1.8
337.06689	4.9
341.06464	1.3
353.06641	33.6
354.07001	2.8
355.08221	3.0
356.05246	1.4
365.06668	7.9
381.06018	1.3
383.07690	44.2
384.08090	4.1
395.07745	2.8
413.08716	6.3
431.22754	1.0
439.51733	0.7
455.09964	1.6
473.10791	99.3
473.16739	75.8
474.11124	8.8
474.16998	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	473.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
58.00600	0.3
59.01376	100.0
60.01709	0.8
61.98830	0.9
68.99835	0.4
69.03448	0.4
70.20811	0.7
70.21198	0.6
71.01376	6.8
71.94292	0.3
72.99303	0.4
73.02945	7.9
76.92560	0.3
81.03526	0.3
83.01386	2.5
85.02978	0.9
89.02451	2.1
96.96007	4.2
96.96591	0.4
99.00896	0.8
101.02439	10.7
108.02190	0.9
109.03003	0.6
113.02458	3.5
119.03519	1.4
121.02956	7.6
123.04549	0.6
125.02452	0.5
131.03513	1.1
133.02951	5.8
143.03517	1.3
149.04536	2.6
161.04547	4.1
203.05617	0.4
209.06117	0.9
210.06900	0.9
211.04068	0.9
221.06647	1.6
221.38426	0.3
225.05563	0.5
226.06400	0.7
239.03526	0.9
253.05124	1.1
254.05826	15.6
254.42747	0.4
255.06250	0.7
268.03857	0.7
269.08160	22.1
270.08615	1.3
281.04620	0.5
283.06146	0.9
311.05533	2.1
323.05380	0.4
353.19598	0.4
413.21921	0.9
473.11026	1.2
473.27573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87595	0.3
59.01376	15.9
62.67337	0.2
68.99815	1.4
70.86298	0.3
70.86623	0.5
71.01368	1.5
73.02953	0.9
78.95911	0.9
79.95734	2.9
83.25845	0.2
85.32398	0.2
89.02444	0.6
96.96007	100.0
99.00881	3.3
99.35926	0.2
101.02457	1.3
108.02142	0.3
113.02464	0.6
114.93404	1.9
119.03545	0.4
121.02956	2.3
133.02968	1.3
160.97708	0.3
161.04495	0.4
210.98302	0.3
236.36458	0.2
253.04875	0.4
254.05774	1.6
269.05133	0.4
269.08173	3.6
283.06097	0.3
311.05667	0.5
344.84909	0.2
373.22366	0.5
387.13458	1.4
471.14905	0.3
473.10583	1.0
473.27695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.3
61.81927	0.6
61.98857	2.3
69.28773	4.5
71.01401	0.6
91.62293	0.6
98.19891	1.0
99.00890	0.9
170.92758	0.6
183.04532	0.7
195.04556	1.2
197.93385	0.6
211.03987	32.8
212.04391	1.1
226.25354	0.7
239.03474	71.8
240.03786	3.2
254.05821	88.8
255.06274	4.1
269.08160	100.0
270.08502	6.2
311.05542	1.1
433.77939	0.6
473.27563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01377	18.2
61.50578	0.2
64.38708	0.2
68.99810	1.2
70.11945	0.7
71.01379	1.9
73.02940	0.9
78.95914	0.5
79.95735	3.4
83.01420	0.3
85.02969	0.4
89.02453	1.0
90.42439	0.2
91.37617	0.2
96.96009	100.0
97.02956	0.2
97.95949	0.3
99.00877	4.6
101.02418	1.7
109.02945	0.3
109.06702	0.2
112.44579	0.2
113.02419	0.7
113.92616	0.3
114.93414	1.4
116.00644	0.2
118.96586	0.3
119.03518	0.5
121.02930	1.6
132.98230	0.3
133.02924	0.8
144.75159	0.3
161.04643	0.4
170.99677	0.3
246.66568	0.2
254.05809	1.2
255.30629	0.2
269.08154	2.0
283.06049	0.5
293.21143	0.2
297.06265	0.3
311.05637	1.0
341.06592	0.3
373.22577	0.3
387.13303	1.5
400.89911	0.2
413.21460	0.3
419.85303	0.3
473.10699	1.0
473.27548	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1084
Annotation	Germanaism B
Peak:m/z	Relative Intensity
52.44122	0.4
59.01382	3.3
65.00322	0.7
69.67977	2.2
70.19357	0.4
71.01359	0.6
76.92031	0.4
77.03941	2.0
79.01896	2.1
88.98806	2.3
93.03434	1.8
103.01928	0.5
105.03450	0.6
117.03461	9.4
118.32047	0.4
119.05050	0.9
121.02949	2.2
123.98213	0.4
135.04529	1.6
145.02939	0.8
159.04521	2.0
161.02417	3.9
163.00314	1.1
163.04027	1.1
165.01875	2.1
173.06067	0.6
175.00339	0.8
177.01874	0.4
182.03716	0.6
183.04465	1.5
183.08112	1.2
189.01704	0.4
195.08144	0.7
196.05226	1.1
197.06020	1.3
209.06085	0.6
210.06783	0.6
211.07550	1.2
224.04732	1.5
225.05524	1.0
228.74007	0.5
237.05576	0.6
239.07193	2.7
241.04951	0.5
253.05013	1.1
254.05884	1.0
269.04492	6.5
279.06485	0.7
281.04535	11.3
282.05267	3.4
283.06091	58.3
284.06445	2.7
293.04434	3.4
295.06064	9.5
296.06421	0.9
297.07590	1.0
309.03955	1.3
309.07526	0.5
309.61905	0.4
311.05573	100.0
312.05954	5.1
314.04364	2.4
321.04105	1.6
323.05585	16.0
324.05923	1.2
325.07074	0.6
339.05124	0.8
341.06616	23.1
342.06927	1.7
353.06696	4.4
367.08438	0.5
377.06580	0.9
383.07776	0.4
395.07764	3.2
413.08719	9.7
414.09140	0.6
473.10861	47.8
474.11267	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	473.1085
Annotation	Germanaism B
Peak:m/z	Relative Intensity
50.42289	0.3
53.47480	0.3
59.01376	100.0
60.01704	0.4
71.01385	0.6
71.56483	0.4
73.02953	0.6
74.87616	0.3
80.64510	0.3
84.68117	0.3
89.02441	0.4
90.24594	0.3
101.02418	0.6
109.59234	0.3
113.02512	0.4
161.04497	0.3
217.70993	0.3
224.04779	0.5
226.03014	0.3
239.03566	0.7
254.58018	0.3
268.03720	3.4
268.06213	0.3
268.84219	0.3
269.04529	6.0
270.05106	0.4
283.06119	0.5
293.04697	1.0
311.05704	1.0
473.10815	3.0
474.50909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1085
Annotation	Germanaism B
Peak:m/z	Relative Intensity
51.61243	0.3
57.83321	0.3
59.01384	3.4
65.00312	0.7
71.02837	0.5
71.03159	0.4
77.03963	3.4
77.36136	0.3
79.01890	1.7
83.01411	0.3
85.02926	0.3
89.03996	0.5
93.03456	3.8
101.11383	0.3
105.03460	1.1
107.01376	1.0
109.02941	0.5
117.03460	16.5
118.03722	0.3
119.05024	1.2
121.02951	3.3
123.04508	0.5
125.02458	0.7
130.26366	0.3
133.02988	1.1
135.04503	3.2
137.02434	0.9
138.74751	0.3
145.02954	0.9
147.04535	0.6
148.01721	0.5
149.02452	2.6
151.00336	0.5
155.05089	0.4
159.04500	2.1
161.02443	7.4
163.00345	1.7
163.04015	5.1
164.01189	0.4
164.04301	0.3
165.01941	1.5
171.07925	0.3
173.02411	0.8
173.06114	0.5
175.00388	0.6
175.03995	1.2
177.01927	0.9
177.66721	0.3
179.03490	0.9
182.03682	0.3
183.04402	0.7
183.08105	0.6
185.02458	1.0
189.01904	0.6
191.03519	2.2
193.01424	0.9
195.04463	0.4
195.08142	0.4
196.05272	0.7
197.06039	1.2
203.03464	1.8
207.06644	0.5
209.06061	0.3
211.04085	0.5
211.07605	1.1
213.05562	0.8
215.07132	1.0
221.06137	0.6
224.04839	0.5
225.05655	0.7
227.03482	0.4
229.01372	0.4
237.05537	0.4
238.06259	0.3
239.07121	2.2
241.05095	0.7
243.06570	0.4
253.05104	1.0
254.05717	0.4
255.06592	0.4
264.04074	0.4
267.02975	0.3
267.06522	0.6
268.03772	4.4
269.04526	5.5
270.05087	0.3
279.03516	0.2
279.06650	1.2
281.04544	8.8
282.05286	4.4
283.06104	54.0
284.06485	3.3
293.04572	4.2
295.06079	5.6
296.06366	0.4
297.07507	0.6
307.05994	0.9
308.03256	0.5
309.03989	1.2
309.07462	0.5
311.05591	100.0
312.05951	5.7
314.04294	1.4
321.04034	0.4
323.05582	10.1
324.05823	0.6
325.07108	1.0
333.53064	0.4
335.05557	1.5
341.06635	15.4
342.06903	0.5
349.07474	0.4
353.06595	3.3
377.06339	0.6
395.07706	0.8
413.08749	22.4
414.09048	1.4
431.09985	0.4
473.10855	47.4
474.11124	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	472.1583
Annotation	Raloxifene
Peak:m/z	Relative Intensity
59.01350	4.3
61.98829	10.0
62.93707	1.8
67.02998	3.1
68.02517	1.7
70.33923	6.2
76.49282	1.6
87.18494	1.5
92.05065	12.2
96.96002	5.1
102.05595	6.7
106.04102	2.9
109.04041	2.4
111.03143	3.0
120.04576	2.2
126.06728	6.2
128.03531	28.1
130.20534	1.5
135.05612	4.8
136.04010	5.7
146.04576	5.0
147.05644	6.5
148.04048	10.8
149.04707	1.7
151.06265	1.9
163.06206	5.6
175.02397	2.0
177.10274	6.2
189.10272	4.1
215.08232	2.0
221.09312	10.8
229.10916	1.7
233.09322	17.4
275.11530	7.2
300.10986	33.2
300.14432	2.5
343.11526	6.0
360.16675	4.9
385.16144	13.7
404.15732	35.7
405.15643	2.1
411.14325	3.1
429.15286	10.9
454.14560	3.8
472.15817	100.0
473.16147	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	473.1083
Annotation	Apigenin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03423	0.3
59.01376	92.1
60.01715	0.6
61.98845	0.5
63.02405	0.7
64.06847	0.3
65.00326	0.6
71.01376	2.7
71.56522	0.4
72.08461	0.3
73.02943	1.1
74.22399	0.3
77.03973	0.4
79.01906	1.0
83.01394	0.9
85.02974	0.8
89.02440	0.8
91.01910	0.9
91.05547	0.4
93.03447	1.8
95.01402	0.4
101.02428	2.3
105.03482	0.3
107.01392	0.9
113.02437	1.2
117.03458	5.0
119.05035	0.9
121.02945	1.6
123.04544	0.3
123.43836	0.2
129.92966	0.3
132.02148	5.5
133.02982	2.1
133.06630	0.3
134.03812	0.4
135.00870	1.8
135.04504	2.8
137.02444	1.6
137.27930	0.3
144.61784	0.3
145.02979	0.5
147.04482	0.7
149.02405	0.6
149.06029	0.3
153.01958	0.6
154.04286	0.4
159.04510	1.2
161.02435	2.2
161.04564	0.7
163.04010	1.0
163.53787	0.4
165.02023	0.3
167.04997	0.4
168.05840	0.4
171.04472	0.5
175.04007	0.6
176.01108	0.4
177.01883	0.5
177.05542	1.0
180.05788	1.0
181.06558	0.9
182.03699	0.5
183.04520	0.9
184.05252	1.0
189.01923	0.8
189.05569	0.3
190.02710	0.3
191.03519	0.4
195.04445	1.9
195.06161	0.4
196.05273	1.3
197.06073	0.9
198.03102	0.4
199.03995	0.6
201.05620	0.8
203.03485	0.7
205.05086	0.6
210.06717	0.3
211.03978	6.7
212.04727	2.1
223.04025	3.4
223.07507	0.4
224.04771	3.4
224.08241	0.3
225.05457	1.2
226.02687	2.2
227.03389	0.8
233.04501	0.6
237.05496	0.5
239.03464	12.9
239.07132	0.6
240.04207	4.5
241.04892	0.8
246.07074	0.3
249.05666	0.4
251.07037	0.6
253.05074	0.9
253.08437	0.4
265.04868	0.4
267.02966	13.7
267.06281	0.6
268.03735	89.1
269.04501	55.6
270.04877	2.7
279.06543	0.6
281.04495	2.0
282.05377	1.5
283.06110	8.9
284.06464	0.5
291.06647	0.7
293.04523	0.6
295.06097	3.7
296.06671	1.3
297.04065	1.2
297.07608	13.9
298.07919	0.4
307.06015	1.3
309.04321	0.4
309.07758	0.9
311.05588	15.7
312.06046	1.4
314.04187	0.5
323.05508	3.1
324.06393	0.8
325.07095	5.9
328.05725	1.4
335.05563	1.2
337.07166	1.0
341.06659	3.4
353.06616	23.4
354.07028	1.7
356.05237	0.4
365.06705	2.0
383.07675	9.2
383.12637	0.4
384.07935	0.8
395.07785	1.0
413.08710	5.0
413.21658	0.5
419.07596	0.3
425.09180	0.5
431.22479	0.6
455.09622	0.8
457.52643	0.3
473.10846	100.0
474.11194	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	471.3476
Annotation	Crataegolic acid
Peak:m/z	Relative Intensity
51.00236	1.0
61.98828	2.4
63.42269	0.9
65.49821	0.9
70.40718	4.3
82.84650	0.9
110.23496	1.1
185.67409	0.9
253.07953	1.1
377.28256	2.6
393.31552	16.8
394.32071	1.6
409.34738	24.9
410.34799	3.2
427.35754	9.7
453.33740	4.0
460.11832	1.0
471.34760	100.0
472.35013	12.2
484.02802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57371	0.8
59.01377	32.9
61.98827	3.1
65.63381	0.8
69.20293	2.2
69.20715	6.2
71.01382	3.2
71.46146	0.9
71.75098	0.9
73.02964	1.7
89.02406	1.4
96.96024	1.2
98.19859	2.0
101.02449	2.2
108.02132	1.2
121.02970	1.7
123.04523	11.3
134.02513	4.2
135.03206	0.9
135.04523	1.1
148.04028	2.7
149.04761	1.4
150.05595	32.9
151.02751	1.3
151.05989	1.0
161.46793	1.0
162.05597	100.0
163.05968	3.4
164.07152	3.1
166.05072	10.1
170.40019	0.8
192.98810	1.0
199.42059	0.9
208.14346	1.0
211.13440	1.0
211.34782	0.9
269.08167	1.4
286.10846	26.0
291.19684	1.1
292.19977	1.4
300.08734	16.6
309.20709	3.0
310.21194	1.7
311.05435	1.1
312.08582	2.1
432.74808	1.0
436.13971	44.9
437.14279	4.0
473.27820	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	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45425	0.1
57.03436	0.8
59.01376	100.0
60.01717	0.5
69.05761	0.2
70.56062	0.4
70.56392	0.2
71.01382	2.2
73.02951	0.3
83.01391	0.3
85.02964	0.5
89.07565	0.2
96.96044	0.2
99.00865	0.2
101.02457	0.6
106.22524	0.2
113.02465	0.6
125.02444	0.2
127.54864	0.2
137.09735	0.3
143.03522	0.2
161.04637	0.3
192.11630	0.6
203.05597	2.1
207.13884	5.7
208.14331	0.2
253.42854	0.2
318.51306	0.2
411.19971	0.3
471.22699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03624	0.2
59.01376	100.0
60.01722	0.6
61.98809	0.3
69.93901	0.9
71.01377	2.2
72.99277	0.2
73.02937	3.3
74.64498	0.2
83.01393	1.0
85.02954	0.4
89.02450	0.5
101.02439	3.9
113.02436	1.4
119.03481	0.2
125.02512	0.3
131.03540	0.3
136.01003	0.2
139.04025	0.3
143.03491	0.4
149.04576	0.6
156.19080	0.2
161.04524	1.2
177.83366	0.2
181.85812	0.2
185.76488	0.2
191.27734	0.2
221.06766	0.3
223.28314	0.2
229.55057	0.2
284.55698	0.3
435.42160	0.2
471.09695	0.4
471.22571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37142	0.3
57.03449	0.5
59.01377	100.0
60.01727	0.6
61.98788	0.3
63.79147	0.3
64.32592	0.3
69.25911	2.4
69.26328	0.7
71.01376	0.6
96.96047	0.3
97.02977	0.5
101.02473	0.4
118.58652	0.3
140.62946	0.3
162.16048	0.3
203.05687	0.5
207.13860	5.9
291.19595	0.4
309.20657	1.8
310.59277	0.3
324.07809	0.3
388.24243	0.4
411.20377	0.5
471.26068	1.0
471.34390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.0
59.01375	100.0
60.01701	0.4
69.84226	2.3
71.01378	2.2
72.37068	0.4
73.02948	0.6
85.02937	0.7
90.08227	0.4
98.20650	0.5
101.02475	0.9
123.86298	0.4
127.78574	0.4
192.11484	0.6
203.05684	1.9
207.13878	6.4
226.33723	0.5
471.22165	0.5
483.42963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84577	2.3
59.01104	3.5
59.01376	45.5
61.98816	4.0
69.79501	12.7
71.01382	19.8
73.02941	23.1
75.61436	1.9
78.03391	2.2
81.99574	2.2
82.83951	2.1
83.01384	5.0
83.05006	8.1
85.02941	2.4
89.02449	5.2
101.02437	23.5
101.27245	2.1
113.02424	7.1
117.03426	9.2
119.05009	2.2
131.03493	2.1
143.05008	2.4
149.04558	3.3
153.42442	2.4
161.02400	6.1
161.04547	7.5
175.04005	7.0
177.01862	4.5
185.02452	3.0
189.01895	6.5
203.03427	2.8
205.01404	3.7
231.02965	3.8
265.04965	2.6
283.06100	6.8
295.06088	20.5
307.06110	18.3
311.05545	6.0
322.04840	3.1
323.05600	19.1
349.07251	4.0
351.05096	18.2
363.05203	3.4
369.06067	4.7
443.09750	3.3
471.09271	100.0
472.09698	16.5
476.09671	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	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29829	2.2
56.97760	2.9
57.03434	3.5
59.01376	54.5
60.25530	2.9
61.98833	4.2
66.38451	2.7
70.00176	2.7
71.01369	21.9
71.56330	3.2
73.02945	36.2
74.76236	2.4
81.03509	3.0
83.01389	14.3
83.05023	9.5
85.02912	4.2
88.04031	3.8
89.02448	4.8
95.01366	3.0
101.02441	24.6
108.02229	2.9
113.02457	8.0
117.03486	8.1
125.02454	7.1
132.02214	4.5
133.02936	3.3
134.03752	5.5
140.02267	2.5
149.04572	2.8
160.00517	2.8
160.01665	17.2
161.02432	5.1
161.04529	4.5
161.96452	2.3
168.06570	2.5
175.04027	17.4
177.01930	4.5
189.01930	4.1
195.44067	2.7
199.06427	2.9
220.05391	2.7
223.13422	12.9
231.03036	3.2
232.69232	2.6
233.00870	2.9
247.13332	4.3
251.07225	3.9
265.14532	3.6
266.53827	2.6
267.06546	3.9
283.05966	3.0
293.04666	3.2
295.06119	11.8
307.06216	12.8
311.05328	4.6
323.05603	9.4
337.26102	3.6
339.04935	4.0
349.07501	2.9
351.05139	22.6
356.25391	2.8
363.05072	7.3
381.06104	6.0
383.13507	6.3
401.54666	2.8
427.10449	3.6
446.82513	2.8
471.09311	100.0
471.15353	19.1
471.28372	8.2
472.09622	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52555	2.8
52.55818	2.4
52.57979	2.7
53.73977	3.0
55.17817	2.7
59.01370	74.1
61.98831	3.6
69.59856	18.4
71.01369	21.8
73.02940	43.3
78.29349	2.8
83.01383	10.4
83.05051	6.6
85.02928	4.5
89.02431	8.6
101.02431	40.1
113.02424	11.4
117.03439	5.2
119.03464	4.7
139.08275	2.9
142.01518	2.8
143.03551	3.9
149.04515	3.6
161.02382	5.6
161.04488	14.0
177.01955	3.7
189.01868	4.3
210.94882	2.7
212.66895	3.0
223.14821	2.8
231.02913	4.2
244.32216	3.4
251.06947	2.8
255.43402	2.9
262.31351	2.7
283.06058	6.6
295.06015	13.1
307.06140	14.4
311.05490	10.9
321.03888	3.4
322.04712	3.4
323.05450	14.5
351.05106	21.4
369.06134	4.4
381.05853	3.9
443.09781	3.4
471.09271	100.0
471.19293	5.1
471.43201	2.8
472.09683	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	470.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
56.48925	0.7
57.03440	2.5
57.28068	0.7
59.01377	34.8
61.98814	2.4
65.99827	1.0
66.03495	0.8
68.99783	1.0
69.03447	1.9
70.86767	1.8
71.01376	7.3
72.99292	0.9
73.02932	2.7
83.01387	2.3
84.04523	1.6
85.02953	7.7
87.00854	1.2
89.02428	2.6
89.02934	0.8
95.01369	2.6
96.00923	3.9
96.01454	0.7
97.02946	1.4
98.02474	1.3
98.06110	6.1
99.00882	4.0
101.02431	4.1
107.51151	0.7
108.04539	1.2
110.02477	5.1
111.00906	0.8
112.04047	8.5
113.02438	5.4
118.06606	3.4
119.03464	1.4
121.02950	6.1
123.00887	3.8
124.01613	3.8
125.02453	7.6
125.04800	1.1
126.01937	0.9
126.05586	2.7
131.03625	1.3
132.04543	2.6
134.06140	1.3
135.04524	9.9
140.03540	15.6
145.02924	1.2
146.02594	0.9
146.03625	1.6
147.04498	1.2
148.03984	1.7
149.76447	0.8
152.03474	1.0
159.03207	5.0
159.04436	1.6
160.02751	1.3
160.04042	15.0
160.05328	1.0
161.04820	25.0
162.05597	34.2
163.06020	1.0
174.03162	0.9
174.05582	9.4
175.06291	2.1
176.07147	7.9
186.05576	3.4
187.06326	1.1
188.07141	2.3
189.05495	1.2
198.05537	2.4
199.06346	1.7
206.05742	1.5
214.05061	3.7
215.05820	3.3
216.06595	2.7
217.07304	0.9
221.08252	1.6
225.05539	1.4
226.05002	1.2
229.07388	0.8
230.08189	2.5
232.09561	1.0
238.06250	1.6
242.08160	1.9
243.05374	8.3
244.06001	2.9
254.05823	2.0
258.07693	9.8
259.08301	1.1
260.09213	1.9
264.06482	1.2
265.07391	2.8
266.08331	0.9
268.06161	2.3
269.04016	1.2
269.08130	9.0
270.08539	1.0
271.09665	1.7
280.06110	1.4
281.06787	4.0
284.10468	3.4
286.07178	13.9
296.09290	3.8
297.11691	0.9
300.08807	0.9
311.11597	14.8
313.13202	4.4
326.13913	11.7
328.15506	26.7
329.15903	1.0
336.12332	1.2
363.10855	1.3
364.11584	1.0
378.13995	1.1
408.18866	0.8
410.16074	1.9
424.17621	1.4
426.19183	12.0
437.14713	3.5
452.17108	100.0
453.17386	7.8
470.24808	3.1
470.74921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84233	0.6
57.03447	56.4
57.26415	0.5
58.03764	0.6
59.01378	21.7
61.98825	3.2
66.64989	0.5
69.48849	4.4
71.01379	5.2
73.02953	2.8
81.03483	0.8
83.01397	1.8
84.66506	0.6
85.02936	2.9
94.65163	0.6
95.01385	1.3
96.96009	1.2
98.19902	1.3
99.00876	1.2
99.04517	41.0
100.04835	0.9
101.02435	14.7
113.02460	2.9
119.03457	0.6
121.02945	1.2
123.04517	1.1
125.02445	17.4
143.03548	1.4
147.04475	0.9
148.05299	100.0
149.05579	2.9
153.05528	1.1
161.04552	6.0
163.07640	90.4
164.07936	3.3
203.05424	0.7
265.14551	0.8
288.79169	0.7
296.34952	0.6
425.18256	0.7
433.24371	1.1
469.16968	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	469.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	96.2
58.00598	0.5
58.03779	1.0
59.01376	79.6
60.01723	0.8
61.98835	5.2
63.58480	0.4
69.03452	0.8
69.19318	0.8
69.19731	3.8
71.01379	14.0
71.05465	0.4
72.99305	0.8
73.02943	13.3
74.03276	0.4
78.95895	1.3
80.56389	0.5
81.03446	3.4
83.01383	4.8
85.02957	3.1
87.00858	0.7
89.02438	2.6
93.03462	1.6
96.95993	1.2
97.02926	0.7
99.04514	100.0
100.04839	1.4
101.02436	28.0
111.00874	0.5
111.89414	0.5
113.02449	6.4
117.03466	1.3
119.03503	1.2
119.05019	9.5
121.02919	0.5
123.04501	1.3
125.02440	37.8
126.02767	0.8
131.03479	2.0
132.05807	0.9
133.02846	0.5
133.06618	3.3
141.05579	0.6
143.03490	4.1
145.02945	7.4
147.04485	0.8
149.04520	1.3
152.99570	1.4
153.01968	0.7
155.03471	1.1
161.04529	3.1
161.06039	9.2
162.03180	0.5
163.04002	12.0
164.04462	0.5
177.05551	5.2
187.03954	0.5
203.05627	2.2
203.14418	1.3
205.05028	10.3
206.11819	3.2
221.06573	0.5
235.06125	3.3
265.07162	6.4
269.17444	0.5
272.44891	0.4
277.16360	1.2
323.13440	4.7
383.14676	0.5
383.34354	0.5
409.20889	4.7
469.16800	16.6
470.17258	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	467.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.1
60.00648	0.4
60.96560	0.4
61.98822	4.2
69.52977	0.8
69.53385	2.4
71.01372	0.8
72.88204	0.5
72.99298	3.8
74.81763	0.4
75.00853	3.1
83.01382	1.6
89.03738	0.4
98.19891	0.8
99.00880	0.5
101.02431	0.6
102.85362	0.4
111.00867	0.6
113.02472	0.6
113.99583	5.0
128.01117	0.6
135.02991	1.1
154.07892	0.4
156.00653	5.2
171.10294	0.5
174.01677	100.0
175.01987	2.6
275.20151	1.1
285.17169	0.4
331.19006	1.5
347.18790	1.4
349.20142	3.8
367.21368	1.1
389.19748	1.0
407.20728	1.9
449.21829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64450	0.5
59.01378	3.5
61.98815	2.2
71.01370	1.8
71.59115	0.5
72.99297	3.8
75.00880	3.5
83.01380	1.2
88.98800	1.2
89.02432	0.6
94.68230	0.5
96.96011	1.0
99.00873	1.7
101.02341	0.6
113.02462	1.1
113.99593	4.6
135.03038	0.6
156.00642	3.4
161.09843	0.7
174.01680	100.0
175.02052	2.3
184.97736	0.5
275.19974	0.7
277.21667	0.9
293.92688	0.6
323.13010	0.7
331.19196	1.5
347.18613	1.8
349.20203	3.8
389.19995	0.6
407.20685	0.7
428.34018	0.7
449.21750	0.6
467.23270	0.6
468.21591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84792	0.7
55.01863	0.7
55.15380	0.5
57.03446	33.7
59.01380	21.5
61.98819	3.7
67.20532	0.5
69.64897	4.0
71.01377	6.9
72.99308	0.7
73.02937	1.3
81.03469	0.7
83.01373	0.9
89.02441	2.3
99.04517	17.2
101.02440	12.5
117.84700	0.6
119.03512	0.7
125.02435	7.2
143.03525	0.7
145.07684	4.5
149.10501	0.7
159.09303	0.7
160.06415	11.8
161.04549	10.5
161.07191	37.2
162.07579	1.2
171.10284	1.7
173.10768	2.1
175.08748	27.2
185.10794	0.9
187.08768	4.6
189.06679	71.0
190.07001	2.6
199.08754	1.3
201.10304	7.3
203.08253	31.5
203.11888	9.1
204.08621	1.3
217.09807	0.9
229.09810	17.8
229.12120	0.9
230.10291	0.7
245.09398	0.9
277.11829	2.4
283.06036	0.8
305.11411	60.0
306.11771	4.4
311.05670	1.4
323.12448	100.0
324.12769	6.3
331.15228	0.8
365.09021	0.9
365.13498	13.6
366.13483	0.8
405.16586	2.3
431.09872	2.1
467.10532	1.1
467.16595	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	467.1553
Annotation	6-O-(4-Hydroxybenzoyl)-ajugol
Peak:m/z	Relative Intensity
57.03434	1.3
59.01369	5.5
61.98827	21.5
62.86456	0.7
66.25119	0.7
71.01379	2.7
71.56220	1.1
72.99303	1.9
75.47675	0.6
84.96410	0.7
85.02983	0.9
87.00877	1.1
89.02424	1.0
93.03453	2.9
95.04967	1.2
96.96029	3.3
99.00928	0.8
101.02424	2.6
108.02184	1.8
109.02972	1.6
119.03493	0.7
119.05001	1.1
120.04520	0.9
121.02951	45.5
122.02372	1.0
122.03764	8.7
123.04520	44.8
124.04845	1.2
125.02426	1.7
125.91161	0.7
133.02948	2.3
135.04506	1.7
137.02448	4.9
137.06070	1.7
139.04030	0.9
145.02914	0.8
146.06050	0.7
147.04468	1.3
149.02431	14.8
150.03212	30.5
151.03929	3.2
153.05556	1.3
154.02722	1.6
161.04530	1.0
163.03937	4.2
164.03513	1.0
164.04784	9.0
165.05557	67.6
166.05881	2.1
175.02463	0.9
181.05040	3.1
193.82120	0.6
212.66336	0.7
269.04501	2.5
270.09778	4.2
287.05997	1.6
287.09222	23.8
288.09601	1.9
305.10275	100.0
306.10599	7.0
339.08414	0.8
467.15723	12.2
468.16257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.3
61.98807	1.3
72.99306	2.3
75.00862	1.1
80.02666	0.9
96.95982	0.8
108.02166	42.6
113.99576	1.4
123.04516	51.7
124.04858	1.2
124.22976	0.6
132.37651	0.6
135.02988	0.9
152.01152	3.0
167.03484	100.0
168.03775	3.8
174.01686	14.0
226.02707	3.4
229.45029	0.7
241.05083	2.7
305.21304	0.8
309.43362	0.7
317.06622	83.8
318.06949	4.9
331.18930	1.2
347.18729	0.7
349.20209	0.8
371.18735	0.8
389.19543	0.9
400.78088	0.7
467.09705	4.3
468.10342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04799	2.5
52.50221	2.3
59.01377	11.1
61.98822	15.7
69.38171	18.4
70.96055	2.3
71.01380	4.9
72.99316	4.3
96.96001	4.5
97.02972	2.1
98.20681	4.9
113.02484	3.2
113.99605	5.3
118.58437	2.6
122.42592	2.4
137.02315	3.2
156.00589	3.2
159.38756	2.5
174.01677	100.0
211.04018	3.8
239.03477	10.2
254.05849	15.6
269.08179	32.6
270.08435	2.9
349.20239	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03441	0.5
59.01367	2.5
60.88158	0.4
61.98833	0.9
64.37223	0.5
68.25219	0.5
69.29192	3.4
71.01370	1.2
75.00867	1.8
83.01389	0.6
85.02929	0.7
93.03457	1.7
93.06557	0.5
94.03803	0.6
98.20634	1.1
101.02456	0.7
107.01401	0.6
119.03359	0.5
121.73235	0.5
132.02151	0.6
133.02951	1.4
136.07693	3.7
137.02419	2.7
138.02762	0.8
138.05579	1.5
140.07126	0.7
145.02986	0.5
147.03006	0.5
151.54066	0.5
159.04535	0.7
165.04022	3.6
171.10297	1.1
172.78085	0.5
183.04500	0.8
201.05656	0.6
224.04742	0.9
225.05479	0.6
257.12854	1.5
268.03769	3.1
269.04526	100.0
270.04886	5.9
275.13965	1.9
281.75717	0.5
283.06082	1.2
283.10953	0.6
311.05579	1.7
319.13019	0.9
323.12473	1.4
431.09900	4.2
466.31027	0.6
467.10016	0.5
467.16678	2.1
467.28580	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	467.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83922	0.2
51.11424	0.2
59.01380	2.3
61.19767	0.3
61.98803	0.4
69.92236	0.9
71.01363	0.8
73.02931	0.8
75.00869	1.0
78.95903	1.2
79.95736	2.5
96.96009	100.0
101.02439	0.8
113.92606	0.3
114.93408	1.3
133.53777	0.3
149.21211	0.3
161.04556	0.3
165.04018	0.5
201.95726	0.2
210.76134	0.3
255.05844	0.3
257.12979	0.6
351.85147	0.3
421.61340	0.3
466.31320	0.5
467.28217	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.1
60.01708	0.8
61.98825	100.0
71.01381	1.5
71.55959	0.5
72.99314	0.6
75.00900	0.6
76.11520	0.4
89.02453	1.3
93.95099	0.4
96.95995	2.0
101.02457	0.9
113.02431	0.6
119.03529	0.6
135.04469	0.5
137.02473	0.7
146.08220	0.5
150.03238	0.6
162.03374	0.4
165.05525	0.9
179.05624	0.8
204.22484	0.4
254.97751	0.4
372.04312	0.5
406.21585	1.3
467.15924	1.2
467.36475	0.4
476.12845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.5
69.24490	16.5
69.24912	3.6
71.01401	3.7
87.73814	2.0
93.03455	3.4
101.02435	2.0
105.06377	2.2
105.07161	2.3
117.03455	5.5
119.05012	4.5
125.85323	2.2
135.04520	2.4
137.02480	2.6
147.77324	1.8
155.03494	2.0
161.02383	2.2
163.04007	6.3
191.03450	3.0
245.15839	2.5
268.03555	2.4
269.04453	2.3
272.51593	2.1
281.04321	2.8
283.06061	54.6
284.06488	4.2
311.05591	80.2
312.05896	7.8
323.05621	4.5
326.29358	2.1
341.06543	6.4
379.26080	1.8
419.36133	1.9
431.09787	100.0
432.10471	9.2
467.21481	3.2
473.07733	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	465.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03928	0.4
55.01873	1.5
57.03445	3.9
58.00585	0.6
59.01381	19.4
60.40866	0.4
61.98828	0.7
67.01886	0.7
69.03432	0.4
69.95766	1.7
71.01381	22.5
72.99306	4.1
73.02952	2.9
75.00869	22.9
76.01156	0.5
81.23070	0.4
83.01382	2.4
84.02150	0.5
85.02950	25.5
87.00874	6.1
89.02444	8.2
95.01382	3.1
96.96027	0.5
97.02923	0.7
98.19946	0.9
99.00879	8.0
101.02436	5.2
103.00385	0.6
109.02960	0.4
111.00890	0.7
112.01649	1.1
113.02452	24.9
114.02751	0.6
115.00381	2.0
117.01926	1.5
119.03498	2.1
123.04535	1.4
125.02450	1.3
128.18785	0.4
129.01958	0.8
129.09213	3.7
131.03520	0.6
133.02982	0.7
143.03471	0.5
153.02000	0.6
157.01366	1.1
161.04578	0.4
162.50702	0.4
164.04764	0.7
165.01915	1.4
166.02293	0.6
167.02312	0.5
172.07739	1.0
173.04549	0.9
175.02513	2.8
179.07138	0.6
187.39751	0.4
191.05585	0.6
259.09589	0.6
302.07623	0.6
303.07977	0.8
303.13513	1.8
303.21729	0.8
331.18539	0.4
398.48734	0.5
405.17624	0.7
447.19263	0.5
465.19775	100.0
465.26816	8.1
466.20078	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	465.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66275	0.4
57.03442	0.8
58.00591	0.4
58.68211	0.4
59.01377	100.0
60.01700	0.6
61.98827	36.7
71.01377	8.3
71.25195	0.6
72.99303	0.7
73.02950	0.6
74.32535	0.4
81.03479	0.7
83.01396	0.4
85.02967	1.5
88.84340	0.3
89.02443	13.8
95.05132	0.4
96.95995	1.9
97.02937	0.7
99.04530	0.5
101.02435	6.2
113.02436	3.4
119.03493	7.4
121.02963	1.0
124.01649	0.6
125.02444	3.0
131.03526	1.1
137.02478	0.6
139.04063	0.4
143.03528	1.7
145.81261	0.5
149.99640	0.7
151.00316	0.5
151.04039	0.4
161.04550	1.9
167.03508	3.4
167.10892	0.6
168.00655	1.2
169.01060	0.5
170.01207	0.7
179.05605	6.0
190.17400	0.4
197.04559	0.5
215.72658	0.4
235.02475	0.5
285.04108	0.7
301.08954	0.3
302.92303	0.4
339.89380	0.4
345.06290	1.4
405.21262	9.0
406.21454	0.6
449.20236	0.7
465.11444	5.2
465.23590	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	465.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01376	100.0
60.01699	0.7
61.98828	3.6
62.31278	0.5
63.03416	0.6
69.61526	4.1
71.01382	10.5
73.02956	0.8
80.55100	0.6
84.12533	0.8
85.02961	1.2
89.02444	15.6
95.01356	0.6
98.27672	0.6
99.04528	1.2
101.02430	6.0
107.89819	0.7
109.02927	0.9
113.02441	4.5
119.03490	7.7
123.04521	1.0
125.02465	3.1
143.03493	1.6
149.09700	3.4
153.09251	1.1
161.04549	3.1
167.03493	6.8
167.10785	6.3
173.25122	0.6
179.05560	5.5
210.05756	0.7
225.14998	1.2
235.02499	1.5
240.85681	0.7
243.16061	0.8
285.04172	0.8
285.12411	3.9
287.07745	0.9
303.05264	0.9
303.08752	1.6
345.06186	2.1
348.26297	0.7
351.10675	0.7
405.21201	10.1
406.21451	1.1
419.17752	0.6
465.10010	0.8
465.23529	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	465.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36544	0.5
59.01377	3.0
59.80857	0.6
61.98831	0.8
71.01373	5.5
71.20893	0.5
73.02934	4.3
79.46090	0.5
87.00862	2.7
89.02438	27.6
103.04025	2.0
108.02147	1.6
110.98594	0.5
115.00343	0.7
124.32896	0.6
125.02397	0.7
131.03490	6.2
133.01428	1.0
137.19833	0.5
137.45642	0.5
144.36014	0.4
149.04543	100.0
150.04861	2.6
152.01126	1.2
153.01974	0.8
217.62306	0.7
250.39612	0.5
273.03687	0.7
285.06390	2.6
411.16232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1972
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
55.01872	2.2
57.03439	3.9
58.00558	0.4
59.01108	0.9
59.01374	10.6
61.98824	0.5
67.01894	0.7
68.99792	0.7
69.03442	0.9
70.00766	1.5
71.01377	22.2
72.99308	3.4
73.02938	4.2
75.00866	26.0
83.01376	3.0
84.02168	0.5
85.02946	28.6
86.94341	0.5
87.00868	7.0
88.01154	0.6
89.02443	2.4
95.01378	3.5
97.02945	1.0
99.00874	8.9
101.02430	7.1
109.02940	0.5
111.00890	1.2
112.01647	1.1
113.02448	26.5
115.00362	1.6
116.01140	0.5
117.01913	1.1
125.02399	1.1
125.33004	0.5
129.01973	0.9
131.03476	0.5
157.01445	0.9
159.02989	0.9
161.04539	1.6
175.02489	3.0
179.05701	0.5
192.74118	0.5
193.75720	0.4
198.52211	0.5
229.14436	2.0
241.87263	0.5
260.17224	0.5
264.86670	0.5
289.16470	1.0
298.47714	0.4
303.21582	0.5
403.20160	0.6
405.17746	0.9
447.19025	0.8
465.19733	100.0
466.20065	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	465.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30721	0.6
59.01377	9.4
60.99305	13.5
61.98823	8.9
69.39228	5.3
71.01377	1.1
71.79422	0.7
75.00871	0.7
81.78993	0.7
83.62525	0.8
88.68340	0.6
88.98801	100.0
98.20620	1.1
116.05008	1.2
137.02393	0.8
185.09949	0.6
186.04216	0.7
196.07239	0.8
255.59244	0.7
314.52783	0.7
464.32950	0.7
465.22153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92752	0.8
59.01377	11.8
59.98708	0.9
60.99302	13.9
61.98829	5.2
65.72604	0.8
66.27734	0.9
71.01367	1.5
71.56847	1.2
75.00862	1.1
78.95917	4.5
79.05533	1.0
85.02920	1.0
88.98799	100.0
89.99126	1.1
96.96016	1.0
101.02431	1.2
105.07824	1.0
107.01411	1.0
137.02451	1.0
144.69095	1.0
149.99559	1.5
161.00252	0.9
190.05048	2.2
219.43018	0.9
242.05785	1.1
265.13120	1.3
306.13724	1.7
314.60388	0.9
318.13467	4.4
357.07144	2.6
379.06064	1.8
405.12021	2.1
405.23898	2.9
465.14432	1.4
465.25827	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	465.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01377	11.1
61.98826	100.0
68.59850	0.3
70.09013	0.9
70.09406	0.6
71.01388	1.2
85.02954	0.5
89.02448	1.4
93.70004	0.3
96.96004	3.3
97.49074	0.3
101.02435	0.7
112.23391	0.4
113.02426	0.5
119.03475	0.9
122.02491	0.5
123.04549	0.8
125.02451	1.0
161.04520	0.5
167.03467	1.9
179.05612	0.8
258.95999	0.6
265.03714	0.4
275.45828	0.4
285.12726	0.4
302.74078	0.5
303.05069	0.4
303.13617	0.5
328.70840	0.4
345.06244	0.9
367.37567	0.4
370.88306	0.4
405.21436	1.1
412.20880	0.4
465.10526	0.5
474.57620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.14
Annotation	Catechin 5-O-beta-D-glucopyranoside-4'-Me
Peak:m/z	Relative Intensity
50.49731	0.4
54.72948	0.4
55.49176	0.3
57.03461	0.6
59.01374	7.8
61.98816	1.4
70.89075	0.9
71.01379	3.9
73.02937	0.6
75.00895	0.4
80.02682	0.5
83.01385	0.8
85.02943	1.1
89.02436	3.7
95.01397	0.5
101.02445	3.4
106.06643	1.3
107.01368	0.9
108.02168	22.8
109.02991	0.6
111.80655	0.4
112.28648	0.5
113.02441	2.4
115.48553	0.4
119.03494	1.8
120.07384	0.8
120.08188	9.3
122.93854	0.4
123.00855	0.4
123.04514	27.0
124.04856	0.5
124.07682	0.7
125.02452	2.5
127.02898	0.5
133.02916	0.5
134.06111	8.8
136.01671	2.9
137.02460	1.2
149.04504	0.5
151.03996	57.8
152.04315	2.3
153.01918	1.8
153.03027	0.4
163.00345	2.2
164.07141	12.2
167.03514	3.2
178.05077	6.4
178.08659	0.4
179.03484	48.7
180.03818	1.7
192.06592	1.3
195.62677	0.5
198.46257	0.4
205.14677	0.4
206.08157	0.8
211.04170	0.4
220.06104	1.2
227.03444	1.2
255.02962	100.0
256.03336	5.9
257.08179	0.8
270.05307	37.0
271.05698	1.7
280.08121	0.6
285.07651	38.0
286.07965	1.5
303.08713	58.4
303.13449	1.9
304.09042	3.4
340.10266	1.6
362.75797	0.4
465.13852	16.3
465.27032	11.4
466.14114	1.3
466.27365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.2
58.52690	0.3
59.01106	0.5
59.01376	5.7
70.66988	0.7
70.67334	0.6
71.01384	1.3
71.05031	0.9
75.33758	0.4
80.02637	0.5
81.03447	11.8
83.01376	2.8
83.05019	0.6
89.02417	0.6
89.60025	0.4
89.80996	0.4
93.03454	0.8
95.01366	0.8
95.05019	5.6
97.02948	3.2
99.04508	14.9
101.02446	1.1
101.06051	0.7
105.03440	0.7
109.02940	7.0
110.52298	0.4
111.04515	1.5
111.99085	0.4
113.02401	0.5
119.03478	0.4
120.08299	0.5
121.02950	1.0
123.04517	6.0
124.01670	0.7
125.02431	28.0
126.02782	0.8
127.04012	0.8
132.02202	0.4
133.02946	11.2
135.04506	1.0
137.02422	5.1
139.04002	2.4
145.05069	6.1
149.02420	1.7
151.04008	1.5
161.02470	0.7
162.05661	0.5
163.03999	1.4
165.01913	1.3
167.03477	100.0
168.03853	2.7
175.03975	0.5
177.01947	4.0
179.03481	1.9
181.05037	0.8
191.03394	1.0
192.00633	1.1
193.01390	3.7
195.90601	0.5
197.04530	16.2
199.03839	0.5
205.01414	1.1
206.02148	0.8
207.02931	1.5
209.04515	2.9
235.02438	17.1
236.02841	1.0
244.36505	0.4
247.02486	0.9
265.03485	3.5
269.06589	1.7
283.06177	0.5
285.04691	0.5
285.07605	2.2
287.07709	8.0
303.05423	0.7
303.08560	2.8
327.05008	1.5
337.05490	0.6
345.06100	34.6
346.06497	2.8
355.06793	0.8
357.06082	0.5
375.07126	6.1
376.07339	0.4
403.80066	0.4
405.21179	1.3
447.09467	1.2
465.10327	2.4
465.19775	0.9
478.55264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25716	0.8
59.01367	3.7
61.98822	1.8
64.79923	0.8
71.56185	1.2
78.95904	7.9
95.42399	1.0
108.78616	0.9
110.98529	6.6
113.09723	2.6
116.94851	0.9
167.01102	3.2
171.10263	2.6
179.14445	1.2
185.02129	4.1
195.13898	16.9
217.00320	1.4
241.53700	1.0
246.75706	1.1
277.18817	1.6
277.21674	16.8
277.55795	1.2
277.59198	1.1
295.22754	100.0
296.23145	7.3
427.00360	1.4
463.24597	29.0
464.24796	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30456	0.3
54.54811	0.3
55.68780	0.3
56.01756	0.3
59.00920	0.3
59.01377	13.7
61.98827	100.0
66.67870	0.3
66.97363	0.3
70.00826	0.5
70.01235	1.0
71.01378	2.4
73.02943	1.9
74.16042	0.3
74.86788	0.3
77.73408	0.3
78.95920	0.5
83.01378	0.8
89.02463	0.9
98.20491	0.4
99.75980	0.3
101.02427	3.1
113.02470	1.4
119.03522	0.4
127.88232	0.4
131.03456	0.4
134.11108	0.3
140.00493	0.3
143.03493	0.7
149.04527	0.7
153.92606	0.3
161.04581	0.9
173.46320	0.3
469.15274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.7
61.98827	100.0
69.33244	0.7
69.33653	1.7
71.01407	0.4
72.05338	0.3
75.00489	0.4
75.00857	1.7
93.03451	0.5
113.02458	0.4
117.52847	0.3
137.02452	0.8
150.86681	0.3
180.06694	0.4
183.60110	0.3
229.14571	0.3
239.12895	0.4
280.81705	0.3
400.06857	0.3
464.26114	0.7
464.33194	2.1
465.26385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
56.85138	0.3
59.01380	8.9
69.03505	0.6
71.01385	5.8
73.02940	1.6
83.01381	0.7
85.02959	1.4
87.00894	0.9
89.02449	5.4
95.01405	0.9
97.02929	0.6
97.06614	0.5
99.00877	0.7
101.02443	6.5
111.08167	0.6
113.02451	2.8
119.03513	1.3
125.02446	1.0
131.03471	0.5
133.05116	0.5
138.32205	0.3
143.03484	0.6
144.83838	0.3
146.34444	0.3
161.04575	1.7
165.12830	9.4
179.05632	0.5
183.13887	100.0
184.14201	3.5
199.48839	0.3
209.11789	1.6
227.12854	8.5
235.08182	1.4
253.09261	7.9
301.07147	0.6
401.46893	0.4
463.21808	76.1
464.22101	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	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89904	0.4
57.03450	0.8
59.01383	7.4
60.84531	0.4
61.98821	0.8
69.03497	0.5
69.42392	2.8
71.01378	6.9
73.02945	1.9
75.00880	0.6
81.03469	0.5
83.01384	0.9
85.02934	2.7
89.02425	3.0
91.03995	1.1
99.00903	0.7
101.02435	6.9
109.02955	0.5
111.08125	1.2
113.02486	2.4
119.03529	1.1
123.04543	1.8
148.96127	0.5
151.03996	1.1
161.04556	2.4
165.12840	14.3
176.27870	0.4
183.13887	100.0
184.14218	4.6
187.76291	0.5
195.68175	0.4
209.11736	2.2
227.12885	13.4
228.13092	0.8
235.08224	0.8
253.09288	5.4
257.08154	0.6
259.08667	0.7
301.07098	0.9
311.18555	0.5
344.78088	0.5
463.21799	87.5
464.22141	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12565	0.7
55.94329	0.7
57.03439	2.7
58.00586	2.5
59.01375	100.0
61.98832	4.6
68.15071	1.0
69.03443	1.3
69.87687	1.9
69.88097	2.6
71.01379	39.1
71.01778	1.9
72.99303	3.6
73.02951	4.4
75.00875	1.0
80.12203	0.9
81.03442	1.1
83.01373	2.9
84.02174	6.0
85.02952	8.2
87.00848	4.7
88.98817	3.2
89.02438	53.0
95.01379	3.4
96.96001	3.7
97.02929	1.5
99.00880	1.3
99.04515	1.8
101.02435	26.5
109.02950	2.5
113.02444	20.1
116.92859	0.9
119.03487	23.3
119.19445	1.0
122.02472	7.2
123.00858	1.5
123.02825	2.5
123.04533	1.2
124.01649	3.1
125.02444	17.2
131.03508	2.8
137.02437	3.3
139.04010	1.8
139.07642	1.1
143.03488	6.5
149.04536	2.6
149.99568	7.8
151.00346	3.1
153.05495	0.9
153.43800	0.9
159.03117	1.1
161.02426	1.4
161.04568	9.4
162.05589	1.2
163.04086	0.8
163.05876	0.8
165.01953	1.2
165.09123	1.0
166.05060	7.3
167.03464	1.9
168.00630	14.6
169.01385	4.0
175.03850	1.0
179.05627	14.3
179.07138	0.8
205.12381	4.8
223.13376	19.9
224.13831	1.2
239.12946	1.3
241.05067	0.9
241.07368	0.9
241.14423	2.4
265.10818	0.8
269.04471	1.3
271.06152	1.1
273.07791	1.6
283.11755	2.5
283.17004	0.9
300.02768	1.0
301.03860	1.6
301.07074	6.7
301.12662	1.1
343.04636	1.7
367.17712	1.6
373.05759	1.2
385.18671	11.8
403.19711	21.7
404.19913	2.1
427.16205	2.2
463.10864	31.4
463.17798	2.4
464.11313	2.1
464.17767	0.9
465.76794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.4
59.01375	100.0
60.01708	0.6
61.43869	0.4
61.98822	2.4
69.64751	1.5
69.65151	0.9
71.01377	8.1
72.99310	1.0
73.02941	1.1
83.01384	0.6
85.02953	1.5
87.00868	1.0
89.02437	10.9
93.03468	2.7
94.03803	0.6
95.01366	0.5
96.95989	3.7
101.02437	7.3
109.02954	0.7
113.02431	3.9
119.03481	7.0
122.02481	0.6
123.00948	0.7
123.04558	0.5
124.01678	1.3
125.02455	4.4
127.04043	1.6
131.03526	0.5
133.02910	0.5
137.02406	4.8
137.03368	0.4
138.02837	1.4
139.02924	0.7
143.03510	1.8
149.04601	0.8
149.99632	1.8
151.00362	0.6
161.02489	0.5
161.04578	2.7
166.05078	1.6
168.00627	4.6
169.01434	1.1
175.11244	0.7
179.05588	3.5
186.37633	0.4
205.12309	2.9
232.43684	0.4
241.07191	2.2
241.14407	0.6
272.83270	0.4
273.07593	0.5
301.07019	0.8
403.12039	0.5
403.19644	13.6
404.20395	1.0
463.10898	8.4
463.21616	2.4
464.11642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
57.03435	2.8
59.01380	100.0
69.18919	1.2
69.19221	12.7
71.01378	44.1
73.02944	16.6
75.00880	7.9
81.72321	1.3
82.82678	1.4
83.01368	5.5
83.17197	1.1
85.02953	19.0
85.03450	2.1
87.00865	5.5
89.02452	9.7
95.01384	2.7
97.02950	1.9
99.00900	6.3
101.02439	35.7
109.02947	1.7
113.02453	18.6
119.03521	2.1
119.10491	1.2
121.02974	2.0
125.02408	3.4
131.03467	4.9
133.02931	2.1
137.02441	2.2
143.03445	3.0
149.02394	2.7
151.00352	1.8
151.03970	3.1
159.02989	7.4
161.03259	2.4
161.04546	37.3
165.01894	7.6
166.06252	2.0
173.66945	1.1
177.01920	1.7
179.03503	1.5
179.05495	1.8
179.06940	1.5
181.01395	1.3
191.03464	1.7
193.01378	3.3
193.05003	1.9
198.05257	1.6
199.04187	1.1
200.01436	1.2
201.05507	1.3
215.03571	1.4
221.06627	8.1
223.09650	2.0
225.05507	1.4
227.12833	1.5
255.02873	2.7
269.04605	7.1
271.06006	1.9
283.02548	2.3
297.03940	9.8
299.05563	6.5
300.02750	11.3
301.03391	5.3
301.07077	3.2
313.03436	2.4
314.04218	2.5
315.04858	1.4
325.03513	7.3
327.04816	2.2
329.06650	3.2
343.04538	20.2
344.04620	1.8
355.04666	2.7
373.05353	6.4
403.16064	33.3
404.16327	2.3
445.07556	3.3
451.42743	1.2
463.08698	44.1
463.21945	1.8
464.08911	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	463.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88990	0.3
59.01376	7.8
61.98758	0.4
63.02399	1.8
65.00320	5.6
71.01376	3.3
71.58793	0.5
73.02920	0.6
74.14355	0.3
75.00835	0.5
79.92229	0.3
83.00925	0.4
83.01385	4.2
85.02908	1.2
89.02465	2.0
93.03417	0.6
95.01363	0.5
97.02913	0.5
101.02423	1.8
107.01385	10.1
108.02184	4.6
113.02396	1.2
119.03428	0.5
121.02928	1.0
123.04536	2.3
124.01637	0.4
125.02377	1.4
125.03208	0.3
131.01396	0.5
134.03737	19.8
135.04370	0.8
136.01613	1.5
137.02371	1.2
149.02512	0.5
149.06079	12.7
150.06322	0.4
151.00359	36.3
152.00722	0.9
160.01578	0.7
161.04488	0.5
163.03894	0.4
164.01143	4.4
164.98216	0.8
165.01917	14.9
165.98993	0.8
166.02156	0.5
167.03514	0.4
169.01355	1.1
174.03229	0.7
175.00314	1.3
175.03951	1.1
177.01918	4.3
178.99757	1.3
179.05585	0.5
189.12778	0.8
193.01373	0.7
196.00163	1.8
199.03943	0.6
201.01866	0.8
209.11751	1.1
213.05637	0.5
217.05133	0.4
227.62477	0.4
228.22989	0.4
229.05130	0.4
239.03635	0.4
240.03949	0.4
242.05933	0.8
255.02936	0.5
257.08142	0.7
258.05295	0.5
265.14352	0.8
268.03735	0.5
283.15677	1.7
284.02972	0.6
285.04031	6.5
286.04688	3.4
287.05222	0.6
299.05426	0.7
300.05621	0.7
301.07150	100.0
301.20303	1.2
302.07498	7.0
325.07132	1.0
343.08121	2.1
403.19763	0.4
427.16245	0.6
463.12390	16.4
463.25735	8.5
464.12820	1.1
464.25665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88990	0.3
59.01376	7.8
61.98758	0.4
63.02399	1.8
65.00320	5.6
71.01376	3.3
71.58793	0.5
73.02920	0.6
74.14355	0.3
75.00835	0.5
79.92229	0.3
83.00925	0.4
83.01385	4.2
85.02908	1.2
89.02465	2.0
93.03417	0.6
95.01363	0.5
97.02913	0.5
101.02423	1.8
107.01385	10.1
108.02184	4.6
113.02396	1.2
119.03428	0.5
121.02928	1.0
123.04536	2.3
124.01637	0.4
125.02377	1.4
125.03208	0.3
131.01396	0.5
134.03737	19.8
135.04370	0.8
136.01613	1.5
137.02371	1.2
149.02512	0.5
149.06079	12.7
150.06322	0.4
151.00359	36.3
152.00722	0.9
160.01578	0.7
161.04488	0.5
163.03894	0.4
164.01143	4.4
164.98216	0.8
165.01917	14.9
165.98993	0.8
166.02156	0.5
167.03514	0.4
169.01355	1.1
174.03229	0.7
175.00314	1.3
175.03951	1.1
177.01918	4.3
178.99757	1.3
179.05585	0.5
189.12778	0.8
193.01373	0.7
196.00163	1.8
199.03943	0.6
201.01866	0.8
209.11751	1.1
213.05637	0.5
217.05133	0.4
227.62477	0.4
228.22989	0.4
229.05130	0.4
239.03635	0.4
240.03949	0.4
242.05933	0.8
255.02936	0.5
257.08142	0.7
258.05295	0.5
265.14352	0.8
268.03735	0.5
283.15677	1.7
284.02972	0.6
285.04031	6.5
286.04688	3.4
287.05222	0.6
299.05426	0.7
300.05621	0.7
301.07150	100.0
301.20303	1.2
302.07498	7.0
325.07132	1.0
343.08121	2.1
403.19763	0.4
427.16245	0.6
463.12390	16.4
463.25735	8.5
464.12820	1.1
464.25665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1091
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
52.80250	0.5
54.14515	0.4
59.01104	0.6
59.01376	8.3
61.24038	0.4
61.98829	3.6
65.73143	0.4
69.03455	2.6
69.19460	0.4
69.78016	0.8
69.78416	2.2
70.60725	0.5
71.01373	2.8
81.03432	0.9
83.01385	1.8
85.02949	1.2
87.00864	0.9
89.02428	2.6
93.03448	0.7
95.01381	1.9
96.96001	2.6
97.02929	2.1
98.20622	0.6
99.00880	0.6
101.02477	2.2
107.01390	2.3
108.02213	0.6
109.02914	0.7
113.02462	1.2
119.03487	1.3
122.02482	4.5
122.56609	0.4
123.00885	5.2
123.02798	1.3
124.01662	13.3
125.02443	50.0
126.02724	0.7
137.02437	3.3
139.04019	0.6
148.01683	0.5
149.99571	22.4
151.00365	8.3
161.02446	0.5
161.04520	0.7
163.00414	0.5
166.05077	0.6
167.03465	0.8
168.00629	47.9
169.01407	12.8
179.03456	0.4
179.05548	0.9
191.03545	0.6
205.12367	1.4
223.13362	1.0
255.02959	2.6
271.02539	0.5
283.02335	2.9
283.11810	0.8
300.02783	1.2
301.03500	1.9
301.07095	1.4
321.05515	0.4
403.19464	0.7
445.10019	1.0
463.10876	100.0
464.11246	7.2
468.80243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43084	0.4
56.19268	0.5
56.64230	0.5
57.03437	0.7
57.42472	0.4
59.01376	44.8
61.98828	4.1
66.24524	0.5
68.99802	0.5
69.03446	2.6
69.88081	2.5
71.01379	18.6
72.99290	1.2
73.02929	3.2
78.03477	0.5
79.01928	0.5
81.03468	1.2
83.01392	2.3
84.02157	1.7
84.60293	0.4
85.02936	3.4
87.00887	1.3
88.98830	1.2
89.02439	14.7
93.03457	1.1
95.01379	2.7
96.96017	2.9
97.02945	2.8
98.95588	0.5
99.00869	1.3
99.04524	1.3
101.02437	9.8
107.01398	1.9
108.02187	0.5
109.02939	2.1
111.00938	0.5
113.02433	7.0
113.06185	0.5
119.03497	6.4
119.69667	0.4
121.02937	0.6
121.06535	0.5
122.01631	1.0
122.02475	12.8
123.00882	4.3
123.02814	5.4
123.04565	1.3
124.01656	12.9
125.02441	47.6
126.02789	1.2
131.03497	1.2
133.02864	0.8
135.00830	0.7
135.04544	0.8
135.06616	0.6
136.04037	0.8
137.02434	3.2
139.04031	1.0
139.07657	1.1
141.01894	0.6
143.03467	1.9
149.02428	1.8
149.04591	0.9
149.98352	1.2
149.99573	22.9
151.00372	8.4
151.04019	0.6
159.02997	0.8
160.02554	0.6
161.02435	1.1
161.04553	6.4
161.05894	0.8
162.05594	0.8
165.01945	0.7
166.05084	3.0
167.03477	1.0
168.00627	48.9
169.01422	12.2
177.12782	0.7
179.03497	1.1
179.05605	4.9
179.07074	0.8
179.10782	1.3
191.03537	0.9
203.10675	0.5
205.12294	8.4
223.13370	13.7
224.13625	0.8
239.12827	0.5
241.07184	0.8
241.14424	10.1
241.16743	0.9
254.02045	0.7
255.02985	0.6
265.10864	0.9
270.05341	0.6
271.06085	1.3
273.07675	1.7
283.06100	0.7
283.11917	3.6
299.05576	1.1
301.03903	0.7
301.07169	3.2
343.04529	1.6
373.05576	1.2
385.18451	2.4
403.19739	8.1
404.20319	0.8
421.20438	0.5
445.09814	1.2
463.10892	100.0
464.11374	7.2
465.77136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.5
61.98827	100.0
70.80488	0.4
71.01382	1.7
71.56842	0.4
73.02944	0.4
91.76912	0.4
101.02496	0.6
113.02446	0.5
143.53467	0.4
171.21452	0.4
175.79428	0.4
178.08794	0.6
183.14046	0.4
211.13435	0.8
227.12926	0.6
273.03308	0.4
286.04404	1.0
311.22400	0.6
329.23535	1.9
376.29947	0.5
421.21045	0.5
462.28632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	SCHEMBL1155662
Peak:m/z	Relative Intensity
59.01376	1.6
63.02397	1.0
65.00308	1.2
69.20068	1.6
69.20480	4.1
81.54631	0.6
83.01394	0.8
97.07473	0.6
98.20669	1.4
107.01398	2.7
108.02151	1.4
109.02944	1.5
110.14777	0.6
111.02000	0.7
114.90571	0.6
121.02960	2.1
125.02403	0.6
134.03775	0.7
135.00880	0.7
148.01649	1.6
151.00354	11.9
163.00325	2.8
163.04112	0.6
178.99895	4.8
187.03993	0.8
193.01358	0.7
199.03938	1.4
211.03961	1.0
226.02664	2.2
227.03513	3.9
243.02956	11.2
244.03732	0.6
245.04594	1.2
254.02211	2.7
255.02972	23.2
256.03268	1.1
271.02457	61.6
272.02887	3.7
273.04041	1.7
283.02408	1.4
299.02005	1.7
300.02731	100.0
301.03494	54.0
301.06989	2.6
301.10379	0.7
302.03802	2.3
463.08777	79.9
464.09177	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	462.1766
Annotation	Naamidine B
Peak:m/z	Relative Intensity
55.56068	0.2
59.01374	1.4
60.60127	0.2
61.98825	0.2
71.01366	0.4
71.11504	0.3
71.11854	0.2
75.00140	0.2
85.02973	0.3
96.96046	0.3
101.02447	0.2
104.52857	0.2
106.47577	0.2
121.02959	0.7
122.03735	0.6
123.04457	0.3
125.02437	0.3
135.04503	1.4
136.05176	0.2
147.03215	0.8
147.04333	0.3
149.02394	0.5
160.04024	0.9
161.04686	0.6
162.05591	100.0
163.05959	2.9
165.01823	0.3
167.03494	0.7
171.02847	0.2
176.07133	0.3
191.03531	0.3
207.62668	0.2
216.53020	0.2
218.54854	0.2
255.06581	0.6
256.03964	0.3
285.09933	1.0
300.12375	67.0
301.03696	0.3
301.07312	0.4
301.12708	4.3
313.03491	0.4
314.04294	0.7
343.04587	1.8
355.04556	0.2
373.05737	1.3
402.08319	0.2
402.14664	0.3
403.19818	0.2
462.17651	7.6
463.08630	1.9
463.17889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97978	0.5
59.01376	8.0
61.98827	100.0
67.65372	0.6
67.86285	0.6
71.01363	1.0
71.10294	0.6
71.56650	0.7
71.56999	0.6
78.95918	0.8
85.02940	1.1
92.68134	0.6
109.70306	0.6
112.98575	0.6
113.02431	0.9
117.89008	0.7
165.12808	0.9
286.04477	1.0
299.05237	0.7
366.37518	0.6
462.24750	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	462.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60103	0.3
57.03445	0.3
59.01376	19.1
60.01712	0.4
61.98827	100.0
69.33554	1.7
69.33963	0.6
71.01378	4.2
73.02944	4.4
75.00883	0.3
83.01392	1.3
85.02931	0.7
89.02444	2.8
99.04536	1.0
101.02430	5.2
103.08350	0.3
108.01987	0.3
109.02997	0.5
113.02451	2.3
119.03519	0.9
120.03851	0.3
131.03520	0.8
143.03510	0.5
149.02499	0.4
149.04559	0.8
161.04547	1.1
191.07391	0.4
200.89874	0.4
214.54961	0.3
221.06587	0.3
229.45639	0.4
281.17563	2.8
282.17862	2.1
285.04105	0.3
286.04218	0.8
298.04868	0.5
299.05151	0.9
342.06961	0.8
461.23880	0.5
462.11349	0.8
462.24139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09268	0.4
59.01372	9.2
61.98813	1.6
71.01385	1.8
71.51414	0.7
73.02934	0.5
78.03090	0.5
78.03487	2.2
79.75378	0.4
85.02935	0.6
89.02449	1.7
91.38103	0.6
93.03456	2.4
94.03789	1.1
96.95997	2.5
98.79536	0.6
101.02439	1.4
108.01553	0.5
113.02431	0.9
119.03470	0.5
122.02473	100.0
123.00857	0.5
123.02843	2.2
125.02431	1.1
128.03558	0.7
133.68080	0.5
135.06642	1.0
136.04036	3.5
137.02414	4.9
138.02788	2.2
139.00394	0.5
150.03198	0.7
161.04543	0.6
162.05595	2.1
164.03499	0.9
165.05496	1.4
166.05885	1.5
168.00626	1.2
178.08676	0.6
179.43588	0.5
180.64375	0.4
195.06667	0.6
300.12354	1.1
320.09042	0.7
402.13873	2.3
403.13831	0.5
403.19815	1.2
463.10962	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	461.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
57.03449	6.0
59.01376	31.2
61.98827	21.0
69.03457	3.0
69.56219	0.9
69.56627	3.1
71.01379	22.4
72.99307	0.8
73.02946	7.6
75.00880	1.1
81.03448	0.7
83.01376	4.0
83.05031	1.1
85.02943	10.6
85.53222	0.6
86.05047	0.6
87.00846	1.5
89.02433	4.0
95.01368	0.8
97.02927	0.9
97.06613	1.1
98.20628	0.9
99.00882	2.7
101.02441	15.5
111.00829	0.7
111.08154	11.5
113.02442	9.0
119.03551	0.8
133.02919	0.9
135.07307	0.6
143.03490	0.8
152.07068	0.6
152.99548	0.7
159.02983	1.8
160.84286	0.6
161.04550	5.8
163.11299	0.9
165.12834	85.4
166.13199	3.9
166.85143	0.6
181.12328	1.6
182.83034	0.6
183.13887	64.6
184.14265	2.3
191.10805	2.1
199.70447	0.6
209.11813	7.9
227.12872	8.4
251.11359	8.4
257.08301	0.7
285.03867	5.8
286.04282	0.9
298.04962	1.8
327.21832	2.0
341.06427	0.7
401.14246	2.0
433.24255	0.7
461.23892	100.0
462.24289	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	461.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.8
59.01375	100.0
59.52854	0.3
60.01714	1.7
60.78537	0.4
61.01804	0.9
61.98830	3.9
71.01376	8.7
71.57146	0.5
72.01719	0.8
73.02943	3.7
74.03265	0.6
75.03364	0.5
83.01406	1.8
84.49317	0.4
85.02940	4.8
87.00903	0.8
89.02446	3.9
91.04006	8.6
91.71848	0.4
95.01385	0.8
97.02974	0.8
97.06606	1.0
99.00895	0.7
101.02438	5.1
101.06095	0.9
102.02809	0.5
103.02904	0.4
113.02450	5.5
115.02895	0.5
118.88372	0.4
119.03500	0.8
131.03545	0.6
133.02942	0.5
143.03555	0.5
151.00406	0.4
155.69354	0.4
160.57205	0.4
161.04579	2.5
165.12900	1.1
167.14507	0.5
171.10289	1.7
175.07649	0.9
183.13962	0.9
209.11855	0.9
211.13405	4.8
221.11853	1.0
227.12941	0.7
229.14436	3.8
239.12958	0.8
245.10329	0.9
247.20886	0.4
254.95789	0.4
256.57642	0.4
273.12527	0.5
285.04053	5.1
291.13647	0.4
291.19632	2.9
298.04788	2.0
309.20685	8.3
309.24179	0.5
310.21149	0.6
327.21722	29.3
328.22192	2.1
329.23434	0.9
341.06714	1.2
342.06696	0.4
363.11957	0.8
401.25452	4.9
419.26599	4.4
420.27530	0.5
461.06976	0.9
461.13910	0.5
461.24106	0.6
461.31345	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	461.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77511	0.5
55.01870	1.8
57.03443	5.0
58.00599	0.8
59.01379	29.4
60.01716	0.5
61.98829	8.7
65.22076	0.5
69.03453	2.4
70.65884	1.2
71.01379	23.6
71.05026	0.7
72.99303	0.7
73.02940	6.9
75.00876	1.5
81.03449	0.6
83.01382	4.0
83.05067	0.7
83.82737	0.5
85.02949	13.6
87.00881	3.3
89.02444	3.9
95.01393	1.8
96.95992	0.5
97.06600	0.9
99.00885	3.6
101.02439	21.5
109.06544	0.7
111.08158	9.4
113.02447	16.4
115.00359	6.3
119.03487	1.7
125.02465	0.7
131.03564	1.5
135.72954	0.5
143.03482	1.4
149.04556	0.7
153.09178	0.7
159.02975	1.5
161.04527	8.3
161.45010	0.5
163.11247	0.6
165.12836	74.7
166.13121	3.3
175.02463	10.7
175.03967	0.9
181.12344	1.6
183.13884	54.5
184.14215	2.2
191.10765	2.1
201.54765	0.5
203.25934	0.5
209.11784	7.7
218.04610	1.5
227.12842	7.0
238.72537	0.5
251.11340	8.2
285.04056	6.5
285.12436	1.2
298.04712	1.5
316.94278	0.6
327.21716	2.9
341.06631	1.7
355.46732	0.6
358.42627	0.5
397.00085	0.5
401.13684	0.9
438.00089	0.5
461.23883	100.0
462.24252	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	461.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
55.27289	0.5
57.03439	1.5
58.00585	1.2
59.01377	100.0
60.46715	0.5
61.98830	1.9
63.87377	0.5
69.03464	2.0
70.56146	1.2
70.56556	1.0
71.01379	34.5
71.42489	0.6
72.99317	1.2
73.02943	59.4
74.03305	0.8
75.00890	0.8
83.01382	14.2
85.02946	5.3
87.00896	1.0
89.02442	8.8
91.72425	0.6
95.01398	1.6
95.35418	0.6
97.02950	1.0
99.00873	1.1
101.02437	50.2
102.02797	1.0
103.99333	0.5
107.01440	1.0
111.08174	1.6
112.54470	0.6
113.02438	15.0
117.19659	0.6
119.03490	3.2
125.02470	2.3
129.32274	0.6
131.03510	3.8
133.02950	11.6
133.03897	0.9
143.03503	4.0
149.04555	3.5
151.00362	0.6
155.03545	1.6
161.04530	9.7
165.12846	12.0
165.14134	0.9
183.13863	4.6
203.05692	1.0
209.11819	1.2
210.46031	0.7
221.06718	1.0
239.03720	0.5
239.10753	15.3
240.11128	0.8
242.05940	0.9
251.11409	1.0
257.08310	2.2
285.03946	2.7
298.04919	0.8
327.21811	0.9
341.06854	0.9
461.23804	10.2
461.29749	0.8
462.24606	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	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
58.00593	1.9
59.01379	100.0
60.01718	1.3
60.07408	1.2
61.98828	23.6
69.03459	3.0
69.59052	6.3
69.59467	3.1
71.01378	28.1
72.99301	3.2
73.02942	15.8
75.00865	2.6
79.95764	1.4
83.01387	4.7
83.75396	1.5
85.02946	14.4
87.00871	4.1
89.02435	11.0
91.04002	8.0
94.22399	1.5
95.01354	1.8
96.95983	3.5
97.02962	1.4
98.46480	1.4
99.00858	2.8
101.02431	21.8
110.67827	1.3
113.02448	11.8
115.00372	3.2
119.03531	3.4
125.02419	2.1
130.72552	1.4
133.03011	1.5
143.03432	2.0
161.04584	2.3
165.12845	1.8
171.10255	11.3
175.02463	8.6
183.13918	1.8
195.13911	9.7
211.13438	3.4
213.14944	4.2
229.14415	3.3
235.64465	1.5
284.03256	22.7
285.03998	21.3
291.19876	1.4
297.04077	2.3
298.04889	9.2
299.05612	49.4
299.09149	2.4
300.05878	2.8
309.20575	5.5
327.21738	41.0
341.06525	5.3
357.19284	7.1
371.07578	1.9
375.20151	18.9
376.20270	1.6
384.04770	1.4
401.24899	1.7
417.21268	73.5
418.21512	6.0
461.10571	6.3
461.23975	5.7
461.31107	7.7
462.23813	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17120	1.5
57.03445	100.0
59.01377	54.1
61.98578	1.4
61.98835	13.6
68.75552	1.6
71.01382	8.7
71.58408	1.8
72.99306	2.4
73.02937	3.8
75.00870	2.8
81.03457	7.9
83.01342	1.7
85.02970	2.9
89.02432	5.6
95.01434	1.4
96.95998	12.8
99.04515	55.2
100.04863	1.3
101.02435	28.2
109.02956	1.5
111.00865	1.9
113.02412	3.8
119.03426	1.6
119.04998	1.6
121.02923	1.9
125.02442	12.6
126.04109	1.5
130.43134	1.4
135.04480	2.7
151.03947	4.0
153.01924	2.3
153.05556	2.4
161.04517	2.4
162.05595	14.6
164.03510	2.8
165.01901	14.8
166.02695	2.4
167.03319	1.9
168.04272	9.9
180.04262	19.0
181.04929	2.1
183.06618	38.2
191.03448	1.3
195.06619	51.9
196.06985	2.0
207.06625	1.6
221.11693	1.6
243.08716	17.2
285.03973	4.3
298.04709	1.5
298.95511	2.4
299.11194	2.7
300.12433	10.9
302.02747	1.6
317.12494	3.0
339.14337	2.1
359.13370	5.8
399.16501	6.4
451.70416	1.7
461.06516	1.6
461.10681	2.1
461.16510	27.8
462.16937	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92501	0.4
52.42562	0.4
58.34688	0.4
59.01376	3.5
61.98795	1.4
71.01344	1.5
71.32060	1.1
89.02431	1.0
93.03440	0.6
101.02430	0.5
102.15978	0.4
113.02439	0.6
130.15869	0.4
132.02159	0.8
133.02887	2.5
134.03745	2.3
135.00830	1.2
149.02441	0.9
161.02406	0.8
163.00389	3.5
164.01125	0.8
165.01875	1.9
176.01213	0.7
209.05864	0.5
214.37184	0.4
225.05554	0.9
227.03540	0.8
229.04935	0.8
241.05009	1.3
253.05115	1.3
255.02934	1.7
268.03946	0.6
269.04431	2.6
270.05386	2.2
281.04614	0.5
281.17450	0.5
284.03299	3.6
285.04016	9.4
296.03079	2.2
297.04013	16.7
298.04791	100.0
299.05179	6.4
308.03210	1.3
309.04044	3.5
310.04700	1.3
311.05582	2.3
312.06281	1.0
313.03635	0.6
313.07126	4.7
321.97470	0.5
323.05750	0.9
324.02789	0.7
325.03555	1.7
326.04263	3.6
330.03818	1.6
337.03555	0.8
338.04315	1.0
341.06628	93.4
342.06976	5.9
353.06528	2.5
356.05267	1.0
360.72665	0.5
371.07684	14.0
372.07849	0.7
378.03946	0.4
383.07675	1.1
425.08664	0.5
451.27475	0.5
461.10922	53.6
462.11285	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	461.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.03753	0.9
59.01378	40.9
61.98832	3.8
69.27180	0.8
69.42669	2.8
69.43082	2.9
71.01385	6.4
72.99300	2.6
73.02946	3.4
74.79067	0.7
78.65605	0.8
81.03457	6.9
82.99529	0.8
83.01389	1.6
85.02955	1.7
87.00878	0.8
89.02430	2.4
95.52838	0.7
96.96001	4.5
99.00871	0.9
99.04513	56.3
101.02431	27.9
111.00914	0.8
113.02421	2.0
113.06065	0.9
122.03740	1.0
123.04482	2.2
125.02434	12.7
137.02405	2.0
143.03476	1.3
150.03215	1.6
151.00400	1.7
151.03970	1.2
153.01921	3.2
153.05576	3.7
161.04572	0.9
162.05566	3.7
163.97450	0.7
164.03526	2.0
165.01917	13.7
166.02646	3.1
168.04260	10.4
176.01125	1.6
179.03424	0.9
179.07137	1.8
180.04269	16.7
181.05026	1.9
181.50902	0.8
183.06612	40.9
184.06969	1.3
191.03392	1.8
192.04317	1.8
195.06609	56.0
196.06960	1.6
207.06592	2.8
209.04480	0.9
238.04706	1.4
243.08713	13.1
254.84985	0.8
283.45435	0.9
285.04077	5.3
300.12268	4.0
317.12390	4.2
339.14624	1.8
341.12570	0.9
354.44702	1.0
359.13446	7.8
366.32629	0.9
399.16550	10.7
461.06760	1.4
461.16525	27.6
462.17038	3.2
482.60779	0.8
488.70816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1087
Annotation	5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
52.72794	0.7
57.03420	0.7
59.01371	5.8
61.39392	0.5
61.98816	1.0
70.59451	0.5
71.01361	1.5
73.02953	0.8
80.34928	0.5
82.66161	0.5
85.02922	0.7
89.02455	0.7
93.03460	0.9
95.01357	0.8
97.02924	0.7
98.19769	0.9
101.02399	1.0
109.02950	0.7
110.53877	0.6
113.02464	0.7
114.09953	0.6
121.02961	1.3
123.04508	1.0
133.02925	0.7
135.00868	1.3
135.04497	2.0
145.02946	1.1
149.02435	0.8
151.00290	1.0
155.00609	0.5
163.00400	1.0
177.09212	0.7
183.04489	0.7
229.04985	1.6
230.67482	0.9
241.05075	0.7
255.02963	78.6
256.03333	4.7
256.06931	0.8
257.04544	7.4
257.08289	2.9
258.04938	0.8
268.03729	1.3
269.04541	3.6
271.02332	0.9
280.16498	0.8
281.04434	1.0
283.02454	55.9
284.03143	11.1
285.03989	9.1
297.04004	11.6
298.01358	1.1
298.04782	16.8
299.01947	1.7
299.05493	9.9
313.03558	3.9
341.06589	1.9
446.08514	18.1
447.08820	1.5
461.10867	100.0
462.11246	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0722
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
53.94807	0.1
55.01882	0.1
57.03445	0.4
59.01377	4.7
63.02400	0.9
65.00315	0.8
67.01910	0.2
68.99828	0.2
69.51217	1.0
69.82273	0.1
71.01379	2.7
72.99303	0.4
73.02952	0.2
75.00870	0.7
75.29543	0.1
83.01389	0.7
85.02953	2.8
87.00884	1.0
89.02444	0.5
95.01385	0.8
98.57430	0.1
99.00872	1.2
100.59558	0.2
101.02419	0.2
103.00395	0.4
105.03474	0.4
107.01377	1.7
109.02967	0.8
111.00919	0.2
113.02460	2.4
115.00336	0.3
117.01949	0.5
121.02960	0.7
133.02943	6.1
149.02435	1.7
151.00359	3.8
167.05078	0.2
171.04532	0.5
173.87085	0.2
175.02513	0.5
175.03940	2.3
176.26994	0.2
177.01869	0.3
185.06062	0.4
187.04068	0.3
197.06032	0.4
198.03235	0.3
199.04002	1.7
201.01961	0.8
213.05583	0.5
215.03534	0.3
217.05040	1.3
223.03976	0.2
229.05084	0.2
239.03433	0.3
240.04161	0.2
241.05016	0.7
243.03009	0.8
256.03802	0.2
257.04602	0.4
267.02924	0.3
271.50516	0.2
284.03320	0.6
285.04025	100.0
286.04367	5.9
297.03992	0.3
298.04892	0.2
327.05060	1.3
355.04651	0.2
357.06012	1.0
369.05814	0.2
381.06253	0.3
399.07159	0.2
401.90479	0.2
461.07211	12.8
462.07584	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	461.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	1.7
61.98791	2.1
62.55460	0.5
69.20120	1.3
69.20535	3.5
71.01358	1.1
93.03423	0.9
106.09133	0.5
119.23039	0.5
133.02950	2.3
134.03752	3.4
135.00850	1.0
136.01651	0.8
137.02452	0.5
160.01895	0.4
161.02388	1.4
162.03108	0.5
163.00375	4.7
164.00955	0.6
165.01945	1.1
174.41238	0.5
175.02698	0.5
188.10930	0.5
201.01875	0.6
211.03897	0.7
225.05502	1.2
227.03635	0.8
229.05060	0.5
230.07855	0.5
241.01454	1.1
241.04996	1.7
253.04907	1.2
254.05788	0.6
255.02898	1.8
256.03604	0.6
268.03693	0.6
269.04492	3.9
270.02383	0.5
270.05292	2.9
284.03183	3.1
285.04044	12.8
286.04117	0.8
296.03210	1.4
297.00601	0.7
297.04013	19.5
298.04791	100.0
299.02002	0.7
299.05219	7.1
309.04050	8.1
310.04739	2.1
311.05673	3.5
312.06378	1.1
313.03766	0.6
313.07153	8.0
314.07355	0.7
323.05649	0.5
324.02780	0.6
325.03421	1.7
325.07016	1.0
326.04254	2.4
326.80835	0.6
327.04810	0.8
330.03720	2.0
337.03531	0.8
338.04285	1.0
339.05124	1.2
341.06628	86.6
342.06921	6.1
344.05371	1.2
353.06583	5.0
356.05338	2.2
371.07690	27.3
372.08008	1.5
382.06500	0.6
383.07657	2.2
385.09027	0.6
401.09070	0.8
431.13696	0.5
443.09976	1.5
461.10938	69.3
462.11383	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	459.2903
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
53.29267	0.2
56.72025	0.2
61.98816	0.2
69.49573	1.1
107.05025	30.8
108.05363	0.7
133.28523	0.2
133.69395	0.2
147.08122	0.4
156.08910	0.2
163.11276	100.0
164.11604	4.4
190.16859	0.2
238.10020	0.4
280.14746	0.5
283.17026	28.3
284.17334	1.5
295.16995	15.0
296.17310	0.9
459.29013	78.8
460.29346	9.3
460.35980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35365	0.9
54.55612	1.2
57.02096	0.9
59.01374	41.9
60.01701	1.1
60.99305	1.1
61.98821	4.6
63.96233	31.1
71.01379	4.6
71.56915	1.6
72.24767	1.0
72.99908	4.2
73.02949	2.9
73.98322	7.3
74.00691	2.1
75.00884	1.3
77.59102	1.1
79.95687	1.5
83.01398	1.7
83.46862	1.1
84.04534	4.4
84.48203	0.9
85.02952	2.3
87.00864	1.2
88.04037	1.9
89.02435	2.8
96.96007	2.9
99.00881	2.4
99.02723	2.5
99.98623	9.2
100.04094	1.2
101.02435	3.4
109.02965	1.3
113.02458	1.9
115.00973	33.9
116.01744	5.8
117.97305	3.7
119.03539	1.2
123.04510	1.1
125.02456	1.5
126.63875	1.0
128.03500	2.1
134.99927	4.9
135.04546	2.5
137.02415	1.7
149.02467	1.7
151.03995	1.8
177.00993	100.0
178.01398	2.5
179.03490	3.7
193.01433	8.9
211.02472	2.3
232.22253	1.1
255.03008	2.2
257.08279	2.4
269.15762	3.9
280.15878	1.1
281.17413	1.9
284.03241	4.6
285.04004	8.4
298.04849	3.0
299.05341	2.0
341.06696	4.0
353.06607	1.4
371.07712	1.7
374.20013	3.1
416.21158	8.4
460.09262	1.4
460.22699	3.5
461.11221	5.4
461.19705	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03448	0.5
58.00599	0.5
58.73455	0.3
59.01377	100.0
60.01702	0.7
61.98861	0.3
67.01910	0.3
69.03467	0.7
69.35290	1.9
71.01380	25.0
72.99314	0.9
73.02944	25.7
74.03283	0.3
75.00889	0.5
81.03456	0.4
81.12873	0.2
83.01384	6.9
85.02946	5.0
87.00882	0.7
87.04553	0.2
89.02442	7.9
95.01378	1.5
97.02971	0.4
99.00858	0.5
101.02439	27.3
102.02773	0.4
113.02445	15.9
114.02820	0.3
119.03494	3.5
125.02444	1.2
131.03491	2.8
138.74451	0.2
143.03476	2.0
149.04539	2.1
151.00375	0.3
155.03519	0.8
161.04547	6.0
161.05873	0.4
175.07712	0.2
179.05635	0.8
194.79727	0.2
203.05579	0.4
221.06665	0.4
255.06705	0.9
294.26181	0.2
399.23953	0.7
417.25024	0.5
459.13174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01710	0.8
61.98840	1.8
70.76211	0.6
70.76555	1.4
71.01386	0.9
74.23089	0.7
75.00906	0.8
78.95914	0.8
79.01476	0.6
96.96019	1.0
212.57552	0.8
236.83661	0.7
355.59158	0.8
372.20288	0.6
444.08411	0.8
459.10703	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	459.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32008	0.3
55.01874	1.3
57.03453	2.0
58.00595	0.8
58.91270	0.4
59.01374	100.0
60.01710	0.7
61.98827	2.1
69.53633	2.4
71.01376	20.1
72.99329	0.8
73.02941	6.1
75.00874	0.6
83.01380	2.3
83.04993	0.5
85.02943	9.4
87.00866	1.0
89.02435	5.0
95.01414	1.4
96.96017	0.6
97.02968	0.4
98.20614	0.8
99.00880	2.4
99.04500	3.4
101.02441	11.4
102.02762	0.5
109.36197	0.4
113.01718	0.3
113.02440	8.1
119.03493	2.2
121.02941	0.8
123.08235	0.4
124.00373	1.9
125.00771	0.9
125.02438	0.8
129.01924	0.4
130.91191	0.4
133.02962	0.4
137.13277	0.4
143.03516	1.3
146.02434	0.4
147.03163	0.6
148.03679	0.7
151.03906	0.5
159.03001	1.1
161.04550	11.6
162.04926	0.5
174.01625	0.7
179.05591	0.5
195.10233	0.5
203.05342	0.4
205.03506	0.4
225.07753	0.8
233.03264	2.9
234.03514	2.5
235.13437	1.5
237.07608	0.5
237.18719	0.7
239.16516	0.8
248.05627	3.1
249.05969	3.8
254.05870	0.8
255.06560	4.6
255.19676	2.8
269.04593	1.0
279.15982	10.7
279.18875	0.6
280.16681	0.7
283.02628	0.6
283.06110	0.6
308.07748	3.8
309.04425	0.6
309.08014	8.6
309.11301	0.7
310.08279	0.7
311.05615	0.5
312.06430	0.4
339.04987	1.3
399.10562	1.1
399.23825	1.0
417.24896	14.6
418.25378	1.6
459.09369	3.6
459.22186	2.1
460.27145	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03445	0.4
58.00606	0.4
59.01377	100.0
60.01717	0.6
63.42377	0.2
69.03471	0.2
69.68636	0.7
71.01377	13.7
72.89281	0.2
72.99319	0.6
73.02942	6.8
78.13419	0.2
83.01385	1.7
83.57066	0.2
85.02943	4.1
87.00888	0.7
88.61919	0.2
89.02440	8.5
91.01902	1.1
95.01370	1.4
97.02972	0.2
99.00887	0.8
101.02434	8.0
106.60444	0.2
113.02444	11.8
114.02744	0.2
119.03533	2.8
119.05016	6.8
121.02863	0.2
125.02442	0.5
131.03542	0.7
135.00874	3.2
143.03465	0.9
149.02495	0.2
149.04558	0.5
150.31374	0.2
153.01952	0.8
161.04543	3.1
174.01753	0.3
179.05569	1.4
196.34145	0.2
255.06598	7.9
255.19801	0.3
256.06924	0.4
334.92566	0.2
354.86652	0.2
399.23798	5.9
399.28741	0.4
400.24377	0.4
417.24884	4.6
417.30017	0.3
418.25519	0.5
427.37689	0.2
459.13000	0.2
459.25967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
56.47411	0.2
57.03442	0.4
58.00595	0.3
59.01377	100.0
60.01713	0.8
61.98828	1.2
69.34315	0.8
69.34742	0.7
71.01380	7.9
72.01714	0.2
72.99319	0.4
73.02943	3.0
75.00868	0.3
83.01380	1.3
85.02949	2.8
87.00861	0.4
87.04528	0.6
89.02438	2.9
95.01400	0.7
97.02964	0.3
99.00889	0.7
101.02437	5.2
101.06101	0.8
101.97706	0.2
103.12440	0.2
111.00892	0.4
113.02449	3.5
118.34956	0.2
119.03468	1.1
125.02457	1.0
131.62088	0.2
141.79086	0.2
143.03517	0.8
149.04498	0.3
158.39136	0.2
159.03049	0.3
161.04562	2.4
174.01747	0.6
179.05655	0.8
207.10347	0.2
209.11909	0.2
211.04025	1.0
237.15242	0.2
239.03471	1.1
240.04242	3.4
240.97534	0.2
254.05821	0.7
255.06618	3.6
255.19768	0.4
267.06451	0.8
268.07013	0.4
269.07321	0.7
295.06186	0.8
296.06366	0.9
297.06662	1.8
297.20667	0.3
298.07147	0.2
309.06805	0.2
325.07016	0.2
327.07855	0.5
381.22531	0.9
399.10092	0.3
399.23825	3.8
399.28683	0.2
400.24231	0.4
417.24963	4.6
418.25128	0.3
459.12463	1.5
459.22079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
52.27709	0.2
55.01877	0.7
55.67598	0.2
57.03444	0.6
59.01374	100.0
60.01707	0.8
69.03481	0.2
69.32783	1.4
71.01374	8.4
73.02941	2.1
83.01376	1.2
85.02949	3.5
87.00869	0.4
87.04510	1.0
89.02434	1.8
95.01389	1.1
96.00691	0.2
99.00866	1.1
99.63032	0.2
101.02435	3.6
113.02441	6.7
119.03506	0.4
125.02419	0.2
129.01935	0.2
143.03484	0.5
146.09828	0.2
159.03099	0.4
161.04539	3.5
236.05806	0.2
255.19756	0.5
399.23831	9.0
400.24390	0.7
417.24899	3.4
417.86722	0.2
418.25400	0.3
459.26071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87119	0.6
53.73787	0.6
57.26669	0.5
59.01368	2.1
69.24196	3.7
69.24601	1.4
78.95892	6.4
117.00829	0.6
125.00062	3.1
152.99582	2.2
181.02730	1.6
199.03766	3.7
277.21695	100.0
278.21994	7.1
459.25095	7.0
459.34634	2.1
460.25885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03455	1.0
59.01378	100.0
60.01725	0.7
60.99301	3.7
61.93064	0.3
61.98834	0.6
67.68438	0.3
71.01379	15.5
71.55695	0.6
72.74632	0.4
72.99323	0.6
73.02940	5.3
83.01388	2.0
85.02952	7.1
86.03303	0.4
87.00867	1.1
88.98802	24.5
89.02453	2.9
91.01891	8.5
93.03477	1.6
95.01398	1.3
97.02924	0.6
99.00906	1.8
101.02441	9.9
113.02450	5.9
118.65395	0.4
119.05020	44.4
120.05373	1.6
121.02974	0.5
125.02428	0.4
135.00882	19.1
136.01233	0.6
137.02422	2.8
140.59360	0.4
143.03481	1.1
145.02896	0.4
148.01651	0.4
149.02390	0.5
153.01942	6.3
159.02992	1.6
161.04549	9.0
174.01669	0.6
180.00629	0.4
192.22218	0.4
203.05519	0.5
209.92189	0.4
221.15358	0.4
237.07750	2.8
237.18871	0.6
255.06610	50.9
255.19598	2.6
256.06955	2.7
279.15973	0.4
297.07697	0.4
339.04947	1.0
369.05969	0.7
379.70132	0.4
398.12054	0.4
399.23773	1.5
417.24939	15.1
418.25342	1.4
459.08707	1.2
459.12958	1.8
459.26746	1.7
470.11945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04303	1.4
56.71908	1.0
57.03415	1.5
58.00567	1.5
59.01376	73.8
61.98817	2.6
65.27949	1.1
67.01451	1.1
69.59234	5.9
71.01372	22.3
72.99297	2.8
73.02932	7.4
83.01375	3.0
83.05035	1.9
85.02938	6.4
87.00858	2.6
88.98798	4.4
89.02440	19.7
93.03448	1.2
95.01363	1.9
99.04517	16.1
101.02426	12.0
108.02158	3.5
109.02934	6.6
113.02450	9.4
113.91302	1.0
114.51286	1.1
115.00368	1.5
117.03449	3.8
119.03514	7.5
121.02934	6.7
131.03450	1.5
133.02975	6.9
135.11833	2.5
143.03464	1.6
143.04828	1.0
145.02904	2.2
149.02354	2.1
161.02400	2.1
161.04523	2.3
174.01683	2.8
177.01921	5.2
179.05589	2.1
185.06149	1.4
187.07758	1.5
191.14374	2.6
195.04550	1.7
196.05322	1.6
198.03188	1.3
207.02925	4.2
209.06010	3.6
210.06757	2.9
211.03983	2.7
211.07541	3.3
213.05547	2.1
217.15865	1.8
219.02914	2.5
225.05482	2.5
235.13266	6.5
237.05505	1.4
239.03621	1.7
240.04225	6.4
253.04990	4.7
254.05824	43.2
255.06583	100.0
256.07059	6.5
279.15994	59.2
280.16263	4.1
281.04556	1.6
282.05188	2.0
283.06024	6.3
297.03876	1.7
311.05530	7.0
339.05020	12.7
369.06039	3.6
373.22137	1.6
413.08810	1.3
415.23083	1.3
459.08441	23.6
459.22986	14.9
460.08994	2.5
460.22821	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	459.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39277	1.4
57.94797	1.5
59.01379	100.0
63.81192	1.4
69.38009	12.4
71.01379	24.9
71.89643	1.5
73.02945	32.7
75.24086	1.6
83.01385	8.8
83.75568	1.5
85.02937	5.3
89.02448	11.1
91.92704	1.4
99.04498	2.1
101.02444	30.5
113.02435	9.7
115.12527	1.5
116.02061	1.5
119.03503	4.6
130.85437	1.6
131.03508	3.5
143.03476	2.0
149.04570	3.9
155.03465	1.8
161.04552	5.8
174.01637	3.7
237.14955	2.4
254.75746	1.5
267.06635	5.2
268.06961	2.2
269.07236	7.3
273.86096	1.4
279.15915	4.3
295.06027	3.0
296.06323	4.3
297.06659	9.7
393.59192	1.6
399.09735	4.1
399.19733	2.5
417.21075	2.6
441.20786	2.0
459.12268	19.3
459.22348	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	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72735	1.2
56.73933	1.4
59.01375	100.0
60.01692	2.2
64.21352	1.2
69.18401	1.4
69.52866	7.5
71.01377	21.1
73.02941	29.0
75.00874	1.2
75.16399	1.4
83.01382	6.8
85.02948	4.5
87.00867	1.5
89.02426	10.6
97.02937	1.4
99.00880	1.6
101.02429	31.1
113.02435	11.5
119.03532	3.0
125.02412	1.8
143.03436	1.9
145.02917	1.6
149.04559	3.3
161.04529	5.2
174.01703	1.6
223.13496	1.3
237.14912	1.9
267.00931	1.2
267.06677	2.9
268.06903	3.7
269.07114	4.9
279.16006	2.7
285.67444	1.3
295.05988	3.2
296.06552	3.3
297.06607	6.5
310.28845	1.2
383.82755	1.4
395.69116	1.5
399.09790	1.7
417.21027	1.9
459.12234	14.9
459.22305	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	459.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16280	0.7
59.01377	100.0
60.01712	4.8
61.01805	4.5
70.11347	2.5
70.11706	1.2
71.01373	6.0
73.02940	2.4
83.01350	0.7
85.02966	2.4
89.02463	1.3
90.26019	0.7
99.00854	0.8
101.02455	3.2
113.02481	3.0
117.09341	0.7
129.56941	0.6
161.04561	2.4
309.41965	0.9
373.22437	1.6
399.23969	1.9
417.25262	1.7
459.22626	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81776	0.3
59.01378	100.0
60.01700	0.7
60.99295	0.4
61.98827	1.3
62.43389	0.3
71.01383	2.5
71.27528	0.7
73.02957	1.0
83.01388	0.6
85.02953	0.9
85.38367	0.3
88.98801	1.7
89.02461	0.7
92.52328	0.3
95.01379	0.4
96.96046	0.3
99.04499	0.4
101.02466	1.3
103.36111	0.3
109.02975	0.3
113.02469	1.1
117.03473	0.4
119.05022	0.7
139.07605	2.1
149.02425	0.8
149.45360	0.3
161.04608	1.2
195.10365	0.5
237.07787	0.7
253.79959	0.3
255.06544	1.5
279.16113	0.8
339.05283	0.6
339.14532	1.2
357.15588	1.6
369.06241	0.5
390.10480	0.3
399.16568	3.3
400.16937	0.4
459.08948	1.4
459.19177	0.9
478.50146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
57.03448	0.7
59.01378	100.0
60.01702	0.8
61.98829	4.1
71.01380	11.7
71.55235	0.9
73.02945	4.5
76.31905	0.6
77.71342	0.6
83.01393	2.2
85.02945	3.4
86.18858	0.6
87.00894	1.2
89.02437	5.3
95.01396	1.4
99.00904	1.8
101.02438	6.8
111.00901	0.6
112.98817	2.0
113.02449	7.2
119.03512	2.0
119.05030	1.6
125.02428	0.6
135.00917	0.6
135.56618	0.7
142.99849	1.3
143.03532	0.7
161.04546	2.1
173.00941	0.9
174.01685	7.9
175.02357	0.8
179.05664	0.6
211.13518	0.7
217.18558	0.6
255.06627	1.5
355.17392	0.6
358.48468	0.5
373.22311	1.9
399.16513	0.7
399.23993	2.8
405.60635	0.6
415.23148	1.1
417.24829	3.2
459.22556	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19057	1.0
54.49527	0.9
59.01107	1.0
59.01377	11.8
70.32893	2.1
71.01376	8.1
80.97666	0.9
83.01376	1.1
85.02932	2.5
86.62333	0.8
89.02444	6.8
96.23996	0.9
96.96033	1.6
101.02464	4.7
101.03040	0.9
102.89098	0.8
113.02427	2.7
117.03457	2.1
119.03461	1.7
121.05036	3.2
132.02164	16.4
133.02951	1.3
134.03740	29.4
146.18350	0.8
146.76576	0.8
149.06102	4.6
160.01651	79.6
161.02031	3.5
175.03989	100.0
176.04385	3.8
178.02623	1.8
179.03502	1.4
191.07082	3.2
193.05040	40.7
194.05403	1.7
207.03050	1.8
235.06049	6.9
265.07150	1.4
274.81769	0.9
281.04483	1.1
281.93484	0.9
282.05270	2.5
283.05991	3.3
283.66116	1.0
295.08151	0.9
311.05447	1.2
339.05087	5.4
369.06073	2.5
459.09317	8.0
459.15027	90.8
460.15375	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	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84720	0.5
57.03440	3.0
58.00601	0.5
58.42767	0.5
58.91223	0.4
59.01379	14.9
61.98855	0.8
71.01381	9.3
71.57917	0.9
72.99297	0.7
73.02940	1.4
83.01416	1.0
85.02956	2.5
87.00912	0.8
89.02447	6.3
89.03953	0.5
95.01402	0.9
96.96043	1.0
99.04523	1.5
101.02440	8.0
107.39445	0.4
109.02931	0.7
113.02433	2.9
117.03471	3.2
119.03499	2.0
119.05056	0.6
120.45943	0.6
121.05084	3.1
132.02176	17.2
133.02986	2.5
134.03751	31.0
135.04477	0.8
137.02475	1.0
147.04515	0.8
148.80029	0.5
149.02528	0.7
149.06100	3.9
153.01955	1.0
153.05588	1.0
158.03738	0.6
160.01662	82.6
161.02156	2.7
161.04512	1.0
162.03197	0.6
165.09163	0.5
169.32635	0.5
174.06235	0.6
175.04001	100.0
176.04405	4.8
177.01875	1.3
178.02698	1.3
179.03502	0.7
191.07123	2.5
193.05054	42.9
194.05360	1.5
195.02985	1.0
197.06010	0.7
207.02979	3.2
209.04492	0.7
211.06094	0.7
219.02995	1.2
221.00883	0.7
235.06087	8.1
258.78470	0.5
265.07095	2.1
268.03790	0.8
269.04477	0.6
281.04468	1.6
282.05310	3.1
283.06021	5.1
283.08920	0.6
283.10367	0.5
295.08310	1.3
297.03845	1.3
309.03897	1.3
310.04645	0.8
311.05569	2.3
323.05417	1.2
337.09149	1.6
339.05103	10.2
340.05078	0.7
342.03473	0.8
351.04712	0.7
361.90131	0.5
369.06137	9.4
370.06433	1.3
381.05710	0.7
441.08102	1.2
459.09027	22.2
459.14905	85.7
460.09445	2.2
460.15247	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64762	0.4
53.98069	0.4
59.01375	2.3
61.89559	0.4
66.20570	0.5
71.01382	1.8
71.55579	0.6
73.02941	41.9
85.02924	0.6
87.00903	0.6
89.02431	2.7
92.96001	0.6
93.33407	0.4
96.95980	0.8
99.00880	5.3
101.02448	1.0
113.02425	1.7
115.86549	0.4
116.92849	5.3
117.01936	100.0
118.02300	1.7
149.04536	0.9
179.05562	0.9
198.29877	0.4
235.51041	0.5
240.46809	0.5
297.12244	0.7
311.14078	0.7
323.13400	0.6
341.10864	1.9
459.13394	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	459.135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18100	0.4
54.23122	0.6
56.81637	0.5
58.84329	0.5
59.01377	5.1
60.41856	0.4
64.14136	0.4
69.86674	2.5
71.01379	4.4
73.02942	44.5
73.93690	0.4
74.03287	0.5
75.48295	0.4
85.02946	1.1
89.02443	4.9
89.58475	0.4
99.00876	6.3
101.02440	1.9
108.02170	2.0
113.02446	1.7
115.00376	0.5
116.92860	1.6
117.01935	100.0
118.02271	1.8
118.05122	0.9
119.03513	1.3
121.76987	0.5
123.55275	0.4
129.33617	0.5
144.61996	0.5
145.06146	0.5
146.40912	0.5
149.04549	1.4
152.01143	2.1
153.01976	1.3
161.04527	0.6
178.13657	0.5
179.05603	2.8
179.15720	0.5
210.96634	0.4
217.30553	0.5
285.06161	3.4
341.10843	6.9
459.13623	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1309
Annotation	6''-O-Acetylliquiritin
Peak:m/z	Relative Intensity
57.03441	0.4
58.00554	0.4
59.01379	26.8
60.01704	0.6
61.98811	1.0
65.03947	0.6
67.01887	0.6
67.05350	0.4
71.01008	0.6
71.01379	9.6
71.56689	0.5
72.99297	1.2
73.02559	0.4
73.02946	6.1
83.01379	2.1
85.02953	1.6
86.00116	0.4
87.00874	1.8
88.98827	0.5
89.02435	4.1
91.01894	4.4
95.01395	0.6
96.96012	0.7
99.00887	1.6
99.04501	2.0
101.02442	5.2
107.01369	0.9
108.02187	2.5
109.02229	0.5
109.02953	9.9
111.00864	0.6
111.04501	0.3
112.98811	1.9
113.02442	1.7
115.00359	2.3
117.00800	0.4
117.03442	1.0
119.03473	1.0
119.05005	0.4
123.00859	1.2
125.02392	0.4
133.02928	0.4
135.00877	7.8
136.01642	1.4
141.07124	0.6
142.99847	1.1
143.03477	0.5
148.01688	0.6
149.02423	0.6
153.01968	2.0
154.99907	0.5
156.73817	0.3
161.02472	0.6
161.04510	0.6
163.00371	2.9
163.03859	0.4
165.07056	0.9
167.08652	0.6
173.00874	1.1
174.01688	9.1
175.02460	4.3
176.02806	1.3
177.02893	1.2
177.43179	0.3
180.05861	0.8
181.06602	1.0
183.08087	0.8
193.06549	1.8
197.06107	0.5
203.08160	0.3
208.05289	3.0
209.06064	5.2
210.06535	0.5
211.07564	1.8
211.13313	0.5
223.13228	0.4
227.07115	16.8
228.07442	0.9
235.13335	0.6
237.05557	100.0
238.05940	5.3
239.07115	1.4
245.11801	0.4
255.06583	6.4
255.16129	0.5
256.06912	0.6
279.15985	7.8
279.18893	0.6
282.05109	0.5
283.05649	0.6
297.06830	0.5
339.05075	0.9
341.05655	0.4
343.62402	0.3
369.06210	0.9
392.05835	0.3
392.32907	0.3
417.25037	0.6
431.70300	0.4
459.12994	82.6
459.22363	3.3
460.13342	7.8
460.19287	0.6
461.82446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.61427	0.8
59.01378	100.0
60.01699	1.0
60.99307	14.9
61.98831	1.5
71.01375	11.0
71.56873	1.3
73.02937	4.6
81.31807	1.0
83.01398	1.9
85.02959	4.4
87.00889	1.0
88.98801	98.6
89.02457	3.3
91.01917	6.1
96.96002	1.2
99.00899	1.9
101.02441	7.3
113.02433	5.3
116.11788	1.0
119.03573	1.5
119.05021	35.1
133.06517	1.2
135.00887	18.7
137.02449	1.6
139.52853	0.9
145.10371	1.1
153.01904	5.6
159.02943	0.9
161.04527	5.8
168.08632	0.8
174.01729	1.3
178.57170	0.9
193.05151	1.1
210.74037	1.0
237.07669	21.9
237.09932	1.8
255.06601	41.0
255.19466	1.5
256.06882	2.7
339.05020	1.4
369.06360	1.4
417.25018	9.0
418.96127	1.3
459.09320	3.6
459.26627	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	33.2
69.68830	12.3
71.01375	22.5
72.99296	1.9
87.00882	4.3
89.02443	34.1
101.02420	7.8
113.02408	7.1
117.09130	1.9
119.03488	5.2
143.03497	2.7
160.02324	1.9
161.04427	4.2
179.05626	15.1
203.19110	2.0
207.17500	3.1
277.21701	100.0
278.21997	7.4
359.22049	5.1
397.31332	2.4
456.35834	2.9
457.33664	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	458.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00325	0.4
54.79989	0.4
55.60987	0.3
57.03426	0.4
59.01374	17.2
60.01708	0.6
61.98826	2.3
65.99841	1.2
68.01407	0.8
69.22431	3.2
69.22836	0.7
71.01378	3.6
73.02944	1.4
83.01411	0.6
84.00921	1.0
85.02939	1.2
89.02434	1.0
89.89235	0.4
93.03459	0.4
94.90534	0.3
95.01398	0.3
96.00896	0.7
96.95972	0.5
98.20767	0.6
99.00877	2.0
99.04513	0.7
100.55304	0.3
101.02441	1.9
108.02151	0.5
112.00407	0.9
113.02430	1.0
115.00312	0.4
119.03541	0.6
121.02966	0.6
121.54458	0.3
123.04509	0.3
124.00397	17.9
125.00667	0.3
131.03703	0.9
134.02466	0.9
135.00876	0.4
137.02440	0.8
143.03461	0.4
143.41367	0.3
146.02460	6.0
147.03290	4.6
160.04036	0.6
161.02415	0.5
161.04604	1.3
162.01971	0.5
162.05609	1.0
164.07071	0.6
166.05064	0.9
167.03426	0.5
175.02574	0.6
176.03181	0.3
176.07208	0.6
177.00960	0.4
177.04192	0.4
179.05576	0.4
189.04291	1.3
205.03725	1.8
206.05595	0.4
207.06590	0.4
210.04080	1.1
213.94087	0.3
220.06261	0.6
233.03265	36.4
234.03577	1.7
235.13286	0.4
248.05611	51.6
249.05977	3.0
253.04953	0.6
254.05730	0.9
255.06610	2.0
279.15909	1.0
283.06042	0.3
293.05435	2.1
302.02359	0.3
308.07727	100.0
309.08060	5.6
339.05023	0.7
369.06439	0.5
398.09644	0.9
399.11246	0.4
417.25006	0.8
420.23889	0.6
459.09076	1.7
459.22223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25600	0.5
51.51604	0.6
59.01376	100.0
61.98814	1.2
69.22823	6.3
88.34764	0.6
96.96024	1.3
124.62888	0.6
142.57060	0.6
158.44522	0.7
174.74654	0.6
174.99309	1.3
184.41803	0.6
186.58693	0.6
217.00316	4.3
305.94492	0.7
311.22287	1.6
374.99374	2.9
441.29715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
57.03443	0.8
58.00579	0.4
59.01374	100.0
60.01718	0.9
60.30151	0.2
61.98832	0.4
69.03487	0.2
71.01373	13.1
72.99296	0.5
73.02942	5.8
75.00881	0.3
77.32388	0.2
83.01393	1.7
85.02934	3.9
87.00860	1.2
87.50714	0.3
89.02439	7.9
93.03452	0.3
95.01402	1.0
97.02998	0.3
99.00875	0.8
99.04518	0.3
101.02433	8.5
113.02437	7.5
115.00347	1.2
119.03493	2.9
121.74432	0.2
131.03491	0.6
143.03510	0.6
149.04608	0.4
151.04005	1.2
159.03157	0.3
161.04541	3.0
165.23798	0.2
175.02440	2.6
179.05623	1.0
205.16017	0.4
217.15990	1.0
235.13374	0.4
235.17111	0.8
252.04335	0.4
253.18102	1.0
257.08301	0.7
267.06686	0.2
281.04697	0.6
295.06143	0.6
297.69589	0.3
337.07245	0.3
339.05029	0.5
397.22324	1.9
415.23462	3.3
457.11469	0.4
457.25668	1.2
457.31558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03436	0.5
58.00573	0.5
59.01376	100.0
60.01716	0.6
61.98821	0.6
65.55356	0.3
65.66508	0.4
68.99567	0.5
69.03458	0.5
71.01379	10.6
71.56748	0.4
72.63187	0.4
73.02940	6.1
79.07381	0.3
83.01385	2.3
83.29559	0.3
85.02948	3.8
89.02430	3.3
95.01338	0.9
96.96004	1.2
99.00892	1.2
101.02438	10.7
109.02977	1.2
112.98577	0.7
113.02448	4.8
119.03509	1.4
125.02516	0.8
125.75224	0.4
135.70821	0.4
143.03481	1.0
153.01924	0.7
159.02919	0.4
161.04591	3.5
163.04012	0.5
165.12828	0.4
178.06294	0.4
179.05548	0.5
193.08699	1.1
203.05655	0.6
211.13371	0.4
222.18303	0.4
252.04282	0.4
253.04977	3.6
253.17920	0.5
269.04480	3.2
270.04947	0.4
316.03665	0.4
335.12555	0.5
371.20728	0.5
397.22189	2.7
415.23318	9.2
416.23947	0.7
457.17770	0.9
457.23929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01726	0.7
61.98830	2.8
67.94904	0.4
69.68596	0.6
69.69001	1.4
71.01373	0.8
87.97484	0.4
89.02454	0.7
89.54697	0.3
96.96021	0.5
101.02467	0.7
102.87798	0.4
105.50336	0.3
107.46313	0.3
113.42268	0.3
131.35858	0.3
178.98416	0.3
198.58258	0.3
211.13390	0.3
217.00227	1.8
236.79451	0.4
353.26962	0.3
374.99219	1.0
400.22888	0.3
438.94174	0.4
448.18594	0.5
457.24356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.26501	0.3
57.03443	0.5
58.00601	0.3
59.01377	100.0
60.01692	0.7
61.98821	0.4
67.20518	0.3
69.29103	1.2
69.29528	1.6
71.01379	10.8
71.45361	0.3
73.02945	4.8
83.01363	2.2
85.02946	4.2
87.00891	0.4
88.61420	0.3
89.02441	3.6
95.01388	1.0
97.02946	0.4
99.00896	1.4
100.02602	0.3
101.02434	8.0
109.02921	0.4
113.02431	3.9
119.03530	1.6
122.82159	0.3
125.02448	0.6
143.03514	0.8
159.03021	0.5
161.04546	3.0
163.04024	1.1
165.12883	1.4
178.06287	0.8
179.05663	0.4
180.52498	0.3
193.08696	1.9
209.15401	0.5
253.05025	3.7
254.05357	0.4
254.11884	0.5
269.04498	2.8
371.20615	1.4
397.22018	1.5
415.23291	5.8
457.24435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26478	0.1
55.12090	0.1
56.82133	0.1
60.47913	0.1
64.22144	0.1
70.21668	0.4
70.22080	0.3
73.18729	0.1
98.20652	0.2
99.92577	5.2
100.92714	0.2
100.93357	4.2
115.92072	100.0
116.92079	3.7
116.92863	5.7
117.92625	0.2
132.92346	1.0
142.94395	0.2
155.95193	0.2
169.27121	0.1
172.95450	5.3
173.95526	0.3
179.03122	0.2
209.37730	0.1
283.26450	0.6
302.68607	0.1
338.34668	0.1
383.18872	0.5
384.19586	0.2
399.18335	0.4
409.20468	1.1
427.64584	0.1
439.21603	0.3
457.22604	7.4
457.36734	0.4
458.22775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66728	1.1
58.82529	1.0
59.01377	100.0
69.07281	1.2
69.52583	7.9
70.40756	1.2
70.94662	1.1
71.01379	8.8
73.02935	5.0
77.03947	1.4
79.01867	1.5
83.01376	2.2
85.02945	4.0
89.02434	7.1
100.70757	1.0
101.02423	8.6
113.02422	4.5
117.03494	1.5
119.03492	2.7
121.40707	1.0
125.02396	1.2
130.08727	1.4
149.02341	1.9
161.02385	2.2
161.04507	2.4
179.05573	1.6
183.89449	1.0
183.91461	1.3
225.05524	1.4
252.69292	1.0
267.06586	20.6
285.03952	5.4
295.06058	26.7
307.06262	2.7
309.03943	1.4
309.07318	1.2
337.03442	6.5
337.07004	2.1
397.09152	3.6
413.23917	2.7
457.12048	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	457.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
57.03449	0.7
59.01378	100.0
60.01719	0.5
61.98841	0.6
69.03473	0.6
69.54736	3.0
71.01382	17.6
72.99297	1.0
73.02943	14.9
82.95395	0.5
83.01382	3.3
85.02946	4.7
87.00882	2.1
89.02436	7.1
95.01394	1.3
96.96001	0.6
99.00848	0.9
101.02439	17.3
113.02438	9.0
115.00365	2.3
119.03474	2.4
125.02496	0.8
131.03523	1.8
143.03560	1.2
149.04526	1.4
161.02467	0.9
161.04555	4.8
175.02501	5.3
179.05663	0.6
195.04488	7.1
223.04028	2.3
224.04817	2.1
235.13412	1.1
252.04216	2.4
253.05106	3.5
281.04681	1.6
295.06244	1.3
339.04919	0.7
371.20746	1.0
397.22549	1.1
415.19550	1.9
415.24124	1.0
439.04593	0.5
457.11600	5.7
457.20786	8.3
457.26254	0.6
458.21262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39910	0.2
59.01376	100.0
60.01712	0.5
63.54118	0.2
66.88053	0.2
69.46010	0.3
69.46409	0.9
71.01388	0.8
73.02959	0.5
83.01409	0.2
85.02973	0.5
89.02443	0.4
90.43844	0.2
98.20686	0.3
101.02467	0.6
101.20238	0.2
113.02443	0.4
114.07579	0.2
135.04611	0.3
161.04610	0.3
163.03976	1.4
178.06326	1.3
181.69133	0.2
184.21190	0.2
193.08681	2.5
205.98573	0.2
209.08244	0.6
397.22409	0.3
457.17920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03440	2.4
58.14019	0.9
59.01376	100.0
61.98827	1.5
63.32825	1.1
69.40176	6.9
71.01378	11.9
73.02938	6.0
73.29288	0.8
75.97600	0.8
83.01386	2.9
85.02935	4.7
89.02438	8.5
96.95972	1.0
98.19892	1.8
99.04501	1.8
101.02429	12.5
113.02425	5.2
117.03377	0.9
117.14531	0.9
119.01398	1.7
119.03490	2.4
121.02953	2.6
125.02452	1.5
135.04596	1.0
138.93544	0.9
140.62363	0.9
143.03502	2.1
147.00853	3.9
148.68994	0.9
149.02425	4.8
161.04561	3.2
163.04001	1.6
164.04782	5.7
175.00349	19.2
179.05605	1.7
190.02704	46.7
191.03120	1.4
205.05046	47.4
206.05359	1.4
207.06651	1.9
223.06093	7.8
308.07953	1.2
395.33109	0.9
457.17102	58.5
458.17795	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	457.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17955	0.4
53.96798	0.4
55.01859	0.7
57.03448	2.9
59.01374	19.3
60.51134	0.5
60.61097	0.5
61.98816	1.7
64.12469	0.5
69.31054	4.7
71.01383	6.8
72.99290	0.7
73.02945	2.7
74.00565	0.5
75.00895	0.7
83.01405	1.9
85.02939	4.2
87.00886	1.1
89.02448	1.6
91.01898	1.4
93.03465	1.9
95.01365	0.9
96.96024	1.2
98.02441	0.5
99.00868	1.4
99.04517	2.1
101.02438	5.9
113.02470	3.6
119.01390	5.2
119.03479	0.7
121.02928	3.4
125.02464	1.1
134.03737	1.5
135.04530	1.9
137.02464	0.6
147.00851	6.7
147.04468	0.6
149.02425	10.0
150.03218	0.5
151.03966	5.4
152.01106	1.4
159.03032	0.7
161.02431	0.7
161.04546	1.7
162.03241	0.8
163.04015	3.1
164.04790	7.3
165.01892	1.4
169.05070	0.9
175.00340	32.1
176.00850	0.9
179.07104	1.5
190.02699	78.4
191.03081	3.2
193.01419	0.8
205.05032	80.3
206.05382	3.9
207.02916	0.6
207.06633	0.6
208.03610	1.1
209.04547	1.8
223.06100	13.2
251.05479	0.9
308.07565	1.1
309.07437	0.9
310.60437	0.5
337.07169	3.8
349.07211	0.6
397.22507	0.7
415.23392	0.9
427.12408	1.9
442.14713	3.1
457.17084	100.0
458.17496	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	457.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03440	0.9
59.01377	100.0
60.01711	0.8
61.98829	1.1
69.03471	0.6
71.01381	18.7
71.01777	0.9
73.02947	13.6
75.00869	0.8
81.03453	0.8
83.01387	5.0
83.05017	0.5
85.02951	5.8
86.74019	0.6
87.00896	1.0
89.02439	5.2
93.03467	1.0
95.01376	1.1
96.96026	1.9
97.02959	0.6
98.58867	0.5
99.00918	1.3
99.04554	0.5
101.02441	15.1
104.32723	0.5
113.02444	7.9
113.03178	0.8
119.03522	2.3
125.02475	1.8
130.26273	0.5
131.03534	1.3
137.02455	1.6
137.09708	0.7
143.03520	1.8
149.04565	1.6
159.03014	0.9
161.04539	7.3
167.03535	0.8
179.05687	0.7
179.10793	0.8
203.05779	0.6
211.13538	0.9
221.06644	0.8
235.17091	0.7
238.27606	0.5
251.16539	0.6
253.05164	0.7
253.18027	2.6
265.11072	0.5
267.06577	2.3
274.70209	0.5
295.06110	2.9
295.11951	1.1
307.06165	0.7
325.06897	0.9
337.07098	0.7
347.34366	0.5
397.22189	4.2
398.22635	0.8
415.23315	8.2
416.23715	0.7
457.11069	2.6
457.24924	1.0
458.25555	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	457.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03447	4.7
57.33866	0.6
58.00611	0.7
59.01378	22.3
59.10218	0.5
60.38191	0.6
61.98833	1.3
69.30636	2.4
69.31062	2.6
71.01381	7.5
72.99282	0.6
73.02945	2.7
73.20631	0.5
74.28057	0.5
75.00889	0.7
83.01390	1.8
84.31384	0.6
85.02955	4.3
85.26746	0.6
87.00889	1.0
89.02460	1.8
91.01900	1.8
93.03471	2.3
95.01379	0.9
96.96008	1.7
98.19932	1.1
99.00867	1.4
99.04491	2.8
101.02437	5.9
101.79739	0.5
107.05006	0.9
113.02443	3.0
117.03384	0.8
119.01408	5.6
120.26727	0.5
121.02959	3.8
125.02450	1.6
125.54813	0.5
134.03728	1.9
134.23187	0.6
135.04521	1.9
137.02444	0.9
147.00877	6.5
147.04558	0.6
149.02422	9.1
151.03987	8.7
152.01161	1.7
161.02412	0.7
161.04555	1.3
163.04004	3.5
164.04778	8.8
165.01869	1.6
169.05086	0.9
175.00357	28.6
176.00699	0.7
179.07164	1.2
183.06487	0.5
189.01930	0.9
190.02705	79.0
191.03162	4.1
205.05037	86.6
206.05394	2.6
207.03076	0.7
207.06516	0.7
208.03748	1.7
209.04468	1.9
223.06093	11.5
251.05602	0.9
251.11288	0.7
253.04517	0.6
308.08130	0.5
309.07608	1.2
337.07184	3.1
367.07950	0.7
397.22195	0.7
415.23383	0.7
427.12509	2.5
442.14328	2.7
457.17093	100.0
458.17444	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01813	0.3
50.42115	0.3
57.03471	0.3
59.01376	100.0
60.01722	0.8
61.98826	1.3
71.01378	6.5
71.56364	0.6
72.99322	0.6
73.02939	2.6
75.00892	0.4
77.83820	0.3
80.91687	1.4
82.43890	0.4
83.01426	1.0
85.02946	2.2
87.00882	0.4
89.02454	2.4
95.01424	0.8
96.96018	0.5
99.00896	0.6
101.02436	4.9
111.00946	0.5
113.02444	2.6
119.03506	0.9
125.02470	0.4
129.93971	0.3
135.04518	0.8
141.01706	5.2
143.03506	0.5
145.81010	0.3
161.04575	1.6
163.03984	3.3
178.06355	0.9
179.05676	0.3
180.72733	0.3
193.08679	23.7
194.09073	1.1
197.08864	0.3
217.00266	0.5
235.16972	0.4
246.88982	0.4
253.18044	8.6
253.20558	0.5
271.30554	0.4
295.06122	0.5
295.19153	0.6
335.81586	0.4
361.63898	0.4
371.16251	2.2
397.22214	2.9
398.58667	0.4
415.23309	7.8
416.23892	0.6
451.50763	0.4
457.18588	0.9
457.24432	6.6
458.24695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1141
Annotation	Puerarin 6''-acetate
Peak:m/z	Relative Intensity
59.01377	78.9
60.01711	0.5
61.98816	0.7
69.31604	3.3
69.32005	1.0
71.01377	2.9
72.06046	0.4
73.02938	2.6
77.03965	6.7
79.01891	3.1
82.78278	0.4
83.01386	0.8
85.02970	0.9
87.00849	0.4
89.02450	1.1
93.03458	1.5
98.20713	0.8
101.02440	2.3
101.03967	1.0
105.01884	0.4
105.03467	2.0
106.52093	0.5
107.01357	0.7
113.02444	0.8
117.03486	0.9
119.03539	0.8
119.05017	3.1
121.02939	6.5
122.02391	0.4
125.02407	0.5
143.05035	5.5
145.02950	5.0
147.00847	0.6
148.01706	0.5
149.02428	6.4
157.06577	0.8
161.02481	2.5
165.01897	0.9
169.06610	0.6
179.03522	1.1
180.04225	0.7
180.05791	0.9
181.06560	1.2
187.03975	1.6
190.02670	0.8
191.03363	0.5
193.06532	0.6
195.08209	2.5
195.09721	0.4
197.06134	0.5
199.07593	1.4
199.91014	0.5
207.06638	0.9
221.06088	0.6
222.06795	0.5
223.07663	4.9
224.04614	0.5
225.05492	1.2
227.07066	0.8
237.05629	1.2
239.07080	1.1
251.07121	1.1
252.04091	0.5
253.05066	5.0
263.07104	0.6
265.05106	1.1
266.05939	0.5
267.06598	79.8
268.06937	5.4
277.05014	4.0
279.06638	1.8
284.09158	0.5
291.06570	1.7
293.04636	1.1
295.06091	100.0
296.06433	6.1
298.04700	1.1
307.06110	7.9
309.07898	0.5
319.06058	0.5
325.07169	3.7
337.07138	1.4
349.07056	0.5
397.09274	15.4
398.09506	1.2
415.10092	0.8
457.11386	89.0
458.11682	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	457.1139
Annotation	Puerarin 6''-acetate
Peak:m/z	Relative Intensity
50.65382	0.2
59.01376	10.1
65.00318	0.8
69.19657	2.2
71.01392	1.2
73.02946	0.7
77.03958	2.9
79.01881	2.4
79.79285	0.2
80.24837	0.2
83.01399	0.5
85.02927	0.6
89.02423	0.5
89.03954	0.8
93.03432	0.3
95.01369	0.7
97.02950	0.2
99.07629	0.2
101.02432	1.0
103.01920	0.3
105.03459	1.0
107.01390	0.3
108.02171	0.3
113.02416	0.6
117.03454	0.9
119.05004	0.9
120.03413	0.2
121.02944	2.5
134.03725	0.3
136.01660	0.3
137.02385	0.5
143.05005	2.6
143.94441	0.2
145.02951	3.3
149.02396	0.3
157.06540	0.4
160.17789	0.3
162.03238	0.3
163.00348	0.6
165.01924	2.8
167.04941	0.3
167.08636	0.8
175.00325	0.9
177.01894	0.4
179.08598	0.5
180.05759	0.6
181.06569	2.9
183.04465	0.3
183.72240	0.2
185.05997	0.3
193.06564	0.5
194.07297	0.9
195.08131	1.4
197.05989	0.3
202.99786	0.3
207.07956	0.3
208.05324	0.3
209.06036	0.9
211.03993	0.4
211.07564	0.2
221.06102	0.6
222.06850	0.4
223.07639	5.5
235.07671	0.7
237.05550	1.4
238.06242	1.5
239.07108	1.3
251.07214	0.7
252.04288	0.3
253.05020	6.1
254.05281	0.4
263.07101	1.4
265.05026	10.5
266.05722	3.0
267.06589	65.5
268.04272	0.3
268.06973	3.3
277.05005	3.6
278.05267	0.3
279.06592	8.6
280.06906	0.6
289.05069	0.3
291.06479	0.3
292.03748	0.8
293.04578	1.3
294.04782	0.3
295.06082	100.0
296.03210	0.4
296.06436	5.6
298.04727	3.1
305.04465	1.5
305.07874	0.4
306.05179	0.7
307.06079	16.4
308.06421	1.3
309.07742	0.5
319.06155	0.5
323.05792	0.6
324.57053	0.2
325.07141	24.8
326.07489	1.8
337.07126	1.6
351.08859	0.3
355.08197	0.3
361.07205	0.9
379.08163	2.7
397.09186	7.7
398.09476	0.6
457.11359	41.0
458.11780	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	457.1137
Annotation	Puerarin 6''-acetate
Peak:m/z	Relative Intensity
59.01378	100.0
60.01696	1.7
64.00137	1.0
65.00323	1.0
65.04801	0.9
70.86480	1.9
70.86834	1.5
71.01373	6.9
73.02938	4.3
77.03947	1.6
79.01888	2.6
81.34402	0.9
82.95422	1.5
83.01395	1.7
85.02948	2.8
89.02432	4.0
101.02411	4.5
105.03466	2.8
109.80225	0.8
113.02453	3.5
117.03392	1.1
119.03526	1.2
121.02943	2.8
138.15466	1.0
143.03510	1.0
143.05034	1.8
145.02995	4.8
161.02448	3.6
161.04544	1.5
163.00346	1.3
163.04039	1.0
165.01906	2.3
167.08632	1.4
171.04474	1.1
173.02374	1.1
175.00365	2.4
177.01907	3.7
179.08542	1.3
181.06540	2.6
188.62592	0.9
189.01952	2.9
200.98912	1.0
207.08308	1.4
223.07616	4.8
235.07631	2.2
237.05443	1.5
238.06290	1.4
239.07156	1.2
247.07657	3.0
251.07152	3.9
253.05055	2.8
263.07074	18.0
264.07379	1.1
265.05069	12.7
266.05737	3.5
267.06601	48.2
268.06995	2.9
277.05032	11.0
279.06607	25.1
281.04431	1.2
289.05261	1.5
291.06570	18.9
292.03796	3.4
292.06915	1.3
293.04575	4.9
293.08228	3.5
295.06094	74.0
296.06421	4.4
298.04819	3.9
305.07935	1.6
307.06073	22.2
308.06317	1.8
309.07626	5.9
311.05832	1.3
319.06079	23.5
320.06430	2.1
333.07574	2.5
337.07169	14.1
361.07092	2.6
379.08130	3.3
397.09256	42.0
397.22433	1.6
398.09509	3.5
415.23126	2.1
457.11389	63.7
458.11624	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	457.1138
Annotation	Daidzein 6''-O-acetate
Peak:m/z	Relative Intensity
59.01382	8.3
63.73743	0.7
68.03966	0.7
71.33026	1.3
78.95861	0.9
91.01891	1.7
93.62699	0.6
106.36559	0.7
108.02168	0.8
117.03452	0.8
132.02147	5.0
135.00880	3.8
160.01593	2.2
180.05786	1.1
187.96486	0.9
195.04471	4.8
196.05296	1.2
208.05312	3.6
209.06026	1.7
223.04004	15.0
224.04704	4.9
225.05310	1.0
251.03462	7.9
252.04253	60.0
253.05028	100.0
254.05440	5.3
267.06973	1.0
295.06171	1.7
309.07639	0.8
435.39713	0.8
457.11420	36.4
457.17169	2.8
458.11731	2.8
484.33487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43396	0.6
59.01380	2.4
61.98829	100.0
67.33678	0.6
67.63676	0.6
69.53781	3.5
71.01379	0.6
95.26082	0.6
101.02422	0.7
114.36302	0.6
211.41734	0.6
313.04013	0.8
454.23859	1.1
458.94608	0.8
465.47168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11118	0.6
54.83637	0.7
59.01377	100.0
60.01696	1.1
61.98838	1.5
71.55828	0.7
71.56261	0.9
75.12022	0.8
76.41899	0.7
79.44922	0.6
96.96037	2.5
101.02416	0.8
113.02480	0.7
129.07211	0.6
156.46194	0.6
318.15707	0.7
455.35327	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	457.0777
Annotation	8-Demethyltetracenomycin C
Peak:m/z	Relative Intensity
53.09651	0.4
54.68301	0.4
55.01876	0.5
57.03441	0.5
58.00605	0.8
59.01378	57.5
60.01722	0.6
61.98821	0.8
70.84850	0.4
70.85178	0.8
71.01380	19.9
72.99311	1.4
73.02943	5.2
75.00875	0.7
77.57397	0.4
83.01380	2.0
85.02952	3.5
87.00874	26.8
89.02457	2.2
89.03957	0.7
95.01395	0.7
99.00872	0.7
101.02433	6.5
103.96700	0.4
112.98848	0.7
113.02445	3.3
115.00372	47.0
116.00719	0.6
117.03452	4.5
117.42890	0.4
119.03468	1.0
122.06948	0.4
125.02478	0.5
127.00363	0.8
129.01926	0.4
131.03516	0.5
133.02954	1.0
135.00900	0.6
143.03442	0.5
157.01471	0.5
159.04420	0.6
161.02449	6.9
161.04547	1.7
162.02884	0.4
163.00381	3.1
163.03970	0.5
175.02467	100.0
176.02783	2.6
177.01930	1.3
190.02797	0.5
193.06618	0.4
209.06090	0.5
215.03510	0.7
251.07379	0.4
253.05083	2.5
265.04968	0.6
267.06531	1.2
269.04559	1.9
277.04962	0.7
279.07077	0.4
281.04529	25.0
282.04892	1.5
283.06061	1.2
293.04385	0.5
295.06091	20.5
296.06528	1.2
307.06006	2.4
309.04089	8.1
309.07620	0.9
311.05563	2.2
323.05551	1.5
325.07040	0.7
333.07419	0.4
339.05066	20.0
340.05441	1.8
341.06601	0.9
353.06714	0.5
361.07047	0.5
397.05432	1.1
397.09570	0.7
397.22345	1.4
415.23450	4.2
457.12009	3.7
457.20901	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.0
57.03439	4.4
58.00580	3.7
58.51477	0.8
59.01379	97.8
60.01735	1.0
61.98819	4.2
71.01384	76.1
71.56750	1.8
72.01706	0.9
72.99301	6.3
73.02945	17.2
78.19380	0.8
83.01385	13.1
85.02948	32.0
85.03465	1.9
87.00883	6.1
89.02444	69.9
95.01392	4.9
96.95998	1.5
97.02945	2.7
99.00865	5.8
101.02441	85.6
102.02769	1.3
112.01732	1.1
113.02448	37.3
119.03506	28.0
121.07191	0.8
125.02454	2.4
131.03514	2.8
143.03503	8.1
149.04538	2.0
159.02934	1.2
161.04532	15.2
179.05588	13.7
179.07034	1.6
205.12262	1.1
291.18134	40.8
292.18588	3.1
453.23410	100.0
454.23663	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	454.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57793	0.6
54.69622	0.6
59.01376	31.7
60.01711	0.7
61.98828	100.0
66.93967	0.5
68.98162	0.6
71.01384	3.6
73.02956	1.8
83.01429	0.6
85.02966	1.7
89.02448	1.4
96.96008	7.9
97.60614	0.7
98.19878	1.8
98.95568	0.6
99.00885	0.6
101.02444	3.0
113.02463	1.5
115.92061	1.0
116.92867	3.4
117.03448	1.0
119.03515	0.9
142.95569	0.6
143.10860	0.8
161.02504	0.9
161.04575	1.6
175.45758	0.6
287.15295	0.9
295.06116	1.6
297.07706	1.8
305.15970	3.9
307.06223	0.6
311.05511	1.2
323.05521	1.5
325.07059	0.7
328.05936	0.6
335.05722	0.9
347.17081	2.2
351.05319	1.0
353.06595	4.0
369.06226	3.4
395.37067	0.6
437.08661	0.7
455.09769	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	454.292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49135	0.4
59.01374	2.0
59.19801	0.4
61.22554	0.4
61.98829	100.0
68.51524	0.4
69.29189	2.8
69.29607	0.9
71.01375	1.5
78.42770	0.4
85.02974	0.8
89.02412	0.5
96.99310	0.8
99.00914	0.6
113.02434	0.5
114.90274	0.4
118.29587	0.4
129.01970	1.9
146.27231	0.5
159.73802	0.4
191.69693	0.4
268.56186	0.4
370.87268	0.5
383.40060	0.5
401.23236	0.4
438.22736	1.4
438.72913	0.9
454.24088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.5
57.03439	2.7
59.01377	100.0
61.98531	3.8
61.98829	39.9
69.03441	3.5
69.43574	21.9
71.01382	82.1
71.01771	4.7
72.99306	5.3
73.02945	31.4
75.00862	3.5
83.01382	18.1
85.02931	28.5
87.00867	4.3
87.12870	3.0
88.98824	4.2
89.02462	25.5
95.01358	8.4
99.00878	12.4
101.02440	79.5
102.02772	3.1
113.02441	28.4
119.03501	7.7
125.02420	5.2
131.03496	3.4
133.82301	3.2
134.03732	9.8
137.02489	4.2
141.36629	2.9
143.03459	7.1
144.21352	3.1
144.86450	3.1
149.04488	4.2
159.03000	6.5
161.04533	31.5
179.05563	5.2
186.98862	2.9
221.06628	4.3
291.18121	37.8
453.23132	62.6
454.23712	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	453.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98831	76.1
62.98602	3.8
66.25997	3.9
66.72509	3.6
69.39718	17.0
69.40146	14.8
71.01363	23.7
73.02943	21.6
78.95936	5.7
84.24546	3.6
85.02950	10.5
85.15314	4.6
89.02444	8.3
93.34073	3.4
96.96036	6.9
97.28125	4.1
101.02443	22.3
113.02429	11.2
119.05042	23.4
120.85870	3.8
124.25887	3.4
134.03703	7.5
135.04433	5.6
135.95134	3.5
161.04556	5.5
163.03972	24.2
240.69984	3.9
261.02216	4.0
331.08887	4.1
419.25482	4.1
453.17007	5.9
453.22678	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	452.2779
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.11459	0.3
59.01364	0.3
61.98824	0.5
65.07635	0.3
73.65955	0.3
78.95899	18.3
98.19847	0.6
117.23327	0.2
122.00105	0.7
140.01184	4.9
152.99538	1.8
177.98833	0.3
196.03796	9.2
196.05600	0.6
214.04829	2.2
226.97395	0.3
229.05338	0.3
237.22273	0.4
255.23264	100.0
256.23621	5.9
316.25967	0.3
320.60849	0.3
452.27771	32.6
453.28088	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	453.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21862	0.3
59.01378	9.0
61.02545	0.3
61.98837	0.4
71.01379	1.1
71.55412	0.4
73.02938	0.7
75.00850	0.4
79.95747	1.9
85.02941	0.5
89.02451	0.9
96.96006	100.0
101.02435	0.9
104.13958	0.3
113.02454	0.9
119.05030	0.4
124.36768	0.3
189.15004	0.5
195.06636	0.4
255.06625	0.9
333.18991	1.9
351.16519	0.4
351.20142	1.9
393.21249	1.0
453.17966	52.2
454.18237	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	453.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21862	0.3
59.01378	9.0
61.02545	0.3
61.98837	0.4
71.01379	1.1
71.55412	0.4
73.02938	0.7
75.00850	0.4
79.95747	1.9
85.02941	0.5
89.02451	0.9
96.96006	100.0
101.02435	0.9
104.13958	0.3
113.02454	0.9
119.05030	0.4
124.36768	0.3
189.15004	0.5
195.06636	0.4
255.06625	0.9
333.18991	1.9
351.16519	0.4
351.20142	1.9
393.21249	1.0
453.17966	52.2
454.18237	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	451.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
60.16895	0.3
69.66719	0.5
69.67134	1.6
75.50919	0.3
75.92782	0.3
78.95898	13.4
90.94870	0.4
102.13335	0.3
104.97446	0.6
110.98524	9.9
137.00099	0.4
152.99525	0.4
167.01137	12.0
175.19472	0.3
185.02188	2.2
272.78656	0.3
283.26392	100.0
284.26733	6.0
320.75488	0.3
362.27963	0.3
451.28275	26.8
452.28510	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	452.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
59.01100	0.9
59.01376	9.4
60.01714	0.7
61.98825	100.0
69.66882	3.1
71.01376	5.4
72.99310	1.0
73.02952	2.6
73.03327	0.6
75.00871	2.0
83.01386	0.7
85.02936	3.2
86.03318	0.4
87.00882	0.6
89.02457	2.1
95.01403	0.5
98.20800	0.6
99.00894	1.6
101.02432	3.6
102.65212	0.6
106.48836	0.5
113.02430	4.5
116.05056	13.2
116.05841	0.9
119.03535	0.7
134.03693	0.8
161.04527	2.4
162.04922	1.0
165.12828	4.9
183.13870	12.4
202.08775	3.4
209.11932	0.6
209.30412	0.5
211.80750	0.5
227.12862	28.8
228.13271	0.9
247.42383	0.5
249.06175	4.2
251.12852	1.2
267.07300	0.9
389.18015	4.2
452.15637	8.7
452.21707	1.0
452.28601	0.7
453.15878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1244
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03444	5.3
59.01373	3.9
61.98825	3.0
69.03430	1.4
71.01379	1.4
71.54648	0.3
71.55082	0.5
72.99316	0.4
73.02948	0.3
75.00879	0.5
81.03452	0.9
83.01381	8.5
85.02956	0.4
87.00869	0.9
89.02424	1.5
92.77018	0.3
93.03455	2.9
95.05013	0.3
96.96002	2.1
97.02944	0.4
101.02441	1.1
103.38478	0.3
105.03445	0.4
107.01409	0.4
108.02204	0.3
109.02949	6.0
113.02447	0.4
119.03447	0.6
120.18203	0.3
121.02942	1.7
122.03729	0.8
123.04520	7.8
125.02442	41.3
126.02748	1.3
133.02995	0.4
135.04518	0.8
137.02441	100.0
138.02734	2.5
139.04059	0.4
145.02933	3.1
146.03760	0.6
149.02428	5.5
150.02007	0.5
150.03218	9.6
151.04005	22.5
152.04352	0.8
153.01865	0.4
159.04454	0.9
161.02205	0.3
161.06047	1.0
163.04022	0.7
164.01100	0.4
165.01923	1.6
165.05501	1.4
166.02768	1.4
167.03528	1.5
179.03503	0.6
179.05640	0.4
185.06081	0.9
187.04002	0.9
201.05530	0.6
201.10394	0.4
203.07144	0.9
209.04457	0.3
227.07115	1.1
229.05081	0.5
231.06650	0.3
245.08153	1.3
251.52135	0.3
251.54796	0.3
253.04947	0.6
271.06122	9.5
271.09644	1.3
272.06503	0.4
289.07278	4.2
289.10715	0.7
290.07520	0.3
313.09238	2.6
329.08801	1.2
374.63080	0.3
406.59677	0.3
451.12430	20.5
452.12592	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	451.1606
Annotation	Davisioside
Peak:m/z	Relative Intensity
51.38120	0.9
51.74137	0.7
58.02962	2.2
59.01114	0.9
59.01379	15.8
61.98827	20.2
69.03444	0.8
70.63344	0.9
70.69046	0.8
71.01400	4.9
71.01755	1.1
71.54917	1.0
74.02417	0.9
83.01360	1.3
85.02951	1.9
86.59531	0.8
87.00877	1.0
89.02431	4.0
93.03454	1.3
96.95995	3.3
101.02435	1.8
106.04226	4.5
107.05002	1.0
108.02140	2.6
108.95949	0.7
109.02927	2.0
113.02435	2.0
116.05051	1.0
116.92835	3.7
119.04980	0.8
121.02949	50.3
122.03783	5.0
123.04507	5.5
125.02406	1.9
133.02916	3.0
134.03734	9.3
135.04509	6.0
137.02391	1.9
137.06131	1.1
138.03265	1.0
139.03996	1.3
147.04510	1.1
148.01662	1.6
149.02434	48.2
150.03221	49.4
151.03754	1.4
153.01859	1.8
154.02699	1.8
161.02411	1.1
164.04788	25.9
165.05559	100.0
166.05931	5.3
167.03476	1.4
179.05554	1.0
201.10315	4.3
203.08282	2.3
209.04372	1.2
209.06084	0.9
214.11026	0.8
239.07112	6.8
249.72536	0.8
271.09735	97.3
272.10153	7.6
289.07297	2.9
289.10779	80.7
290.11111	6.1
331.07846	1.2
365.13364	2.0
407.14560	9.3
451.16351	2.5
451.21762	9.5
452.22577	1.2
479.59946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
61.98805	1.8
73.86240	1.3
93.03453	1.5
95.05018	5.6
95.49181	1.4
98.19765	2.6
121.10236	3.8
149.09673	1.8
156.90263	1.4
159.20920	1.4
189.97926	1.2
192.00562	1.3
226.01634	1.8
227.06015	1.4
239.02354	2.0
251.21219	1.3
261.53424	1.2
263.06476	1.4
265.03796	2.1
269.07047	11.6
270.00485	1.8
274.59372	1.0
283.26465	2.4
292.25565	1.2
322.11343	1.5
329.14185	1.8
349.74554	1.5
354.09799	4.8
391.17999	100.0
392.18481	7.6
451.10812	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	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01885	0.3
57.01752	0.2
57.03447	0.9
57.92187	0.2
59.01376	6.1
60.01711	0.5
61.01810	0.3
61.98827	100.0
62.98535	0.3
63.99255	0.7
71.01343	0.6
73.02936	0.3
81.03441	0.6
83.01385	0.7
83.70880	0.2
89.02439	0.8
90.43672	0.2
99.04506	0.7
101.02448	1.0
113.02446	0.3
118.03780	0.3
121.02919	0.3
123.04560	0.3
125.02451	6.6
125.03339	0.5
126.02789	2.9
149.02435	0.3
151.00302	1.4
152.00772	0.5
153.01895	0.5
167.03506	2.4
168.03799	1.4
178.99908	0.9
179.03442	0.4
180.00166	0.7
197.04497	0.4
197.17993	0.3
198.04871	0.4
259.06070	1.8
260.06427	3.4
269.04462	1.8
270.04880	3.6
287.05627	1.1
288.05902	3.5
330.06989	1.0
338.94257	0.3
378.77960	0.3
390.21710	0.4
391.19489	0.3
450.11185	6.5
451.11496	0.9
451.22025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22296	0.4
59.01374	4.9
60.01719	0.5
61.01789	0.5
61.98826	100.0
70.41438	1.0
71.01374	0.8
71.84969	0.4
88.14722	0.3
92.44682	0.3
101.02422	0.5
108.02199	1.4
109.02970	2.4
120.89552	0.3
121.02946	0.6
123.00900	0.4
123.04536	3.0
124.04812	1.8
133.02980	1.4
134.03365	0.5
134.93037	0.4
135.04547	0.4
150.59473	0.3
151.03986	0.6
161.04530	0.5
163.03990	0.4
165.01926	2.3
166.02324	2.1
167.03099	0.4
179.03511	1.3
181.05118	1.0
182.05405	0.6
253.05040	11.4
271.06006	0.4
286.04504	0.9
287.04669	0.8
287.09290	4.3
288.04953	0.9
288.09561	9.6
288.12595	0.8
289.09702	0.5
298.04501	0.9
299.05054	1.6
300.05280	2.5
301.06042	1.5
302.06433	2.1
314.06491	0.6
327.04950	0.7
328.05383	3.7
329.05630	2.4
330.05920	7.4
341.05988	0.4
342.05869	0.9
344.07141	0.4
356.50327	0.3
358.06592	1.4
359.06720	1.2
360.06918	4.5
390.22095	0.8
415.84143	0.4
432.09271	0.6
450.10083	10.2
451.10297	0.6
451.22003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50143	0.9
57.03435	3.1
59.01379	69.0
66.90987	1.0
70.31997	2.3
70.32391	2.4
70.63295	0.9
71.01380	16.2
78.72643	1.0
83.01371	1.3
85.02952	3.6
89.02449	12.7
91.21130	1.1
91.52573	1.0
95.01352	1.6
99.04520	7.5
101.02451	7.0
113.02441	4.4
119.03525	4.1
135.04515	1.1
151.00398	1.2
165.12857	3.5
179.05580	1.5
207.13818	5.5
209.11818	17.1
225.14955	7.7
251.12860	5.6
269.13913	90.4
270.14166	6.3
287.05307	1.9
287.14966	1.5
449.20239	100.0
450.20618	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72844	0.2
57.03441	1.2
59.01377	7.4
59.75389	0.2
60.01717	0.4
61.98828	100.0
65.00308	0.3
71.01358	1.2
73.02943	0.5
76.37260	0.2
81.03471	0.4
83.01391	0.8
85.02954	0.5
93.03415	0.4
96.95994	0.3
97.02934	0.3
97.14588	0.2
98.20647	0.6
101.02434	0.9
107.01406	0.5
109.02945	0.5
113.02465	0.4
121.02947	0.5
122.03277	0.4
125.02447	8.0
126.02781	3.1
133.83835	0.3
149.02388	0.7
150.02802	0.3
151.00368	1.8
152.00760	0.8
153.01892	0.9
161.04482	0.4
163.03914	0.4
165.01889	0.7
166.02348	0.4
178.99828	0.8
180.00217	0.5
180.04134	0.4
181.05032	0.9
206.89709	0.3
216.07544	0.4
242.04990	0.3
244.06935	0.3
259.06046	2.6
260.06393	5.7
269.04599	2.8
270.04858	5.6
287.05637	2.1
287.08865	0.4
288.05939	5.1
288.09528	1.8
289.06497	0.4
345.34988	0.3
368.40915	0.3
390.22220	0.3
450.11185	8.8
450.16724	0.4
451.11310	0.8
451.22101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1498
Annotation	Suvorexant
Peak:m/z	Relative Intensity
53.98831	0.4
59.01376	1.9
61.98818	3.9
62.96408	20.8
68.19267	0.5
71.01382	0.4
71.57783	0.5
74.88952	0.4
76.09990	0.4
78.95901	52.1
80.97465	25.6
83.83842	0.4
86.09383	0.4
96.96014	0.6
97.78238	0.5
113.02470	0.4
119.86722	0.5
121.02929	0.5
123.04591	0.4
140.91449	0.5
145.30057	0.4
149.00085	12.5
149.01216	0.8
150.00388	0.7
151.00528	0.5
151.01674	0.6
152.41267	0.4
152.99467	0.4
179.01111	1.3
205.15948	6.8
242.98264	4.6
245.00900	0.5
250.84465	0.5
285.12628	1.7
301.05923	0.6
328.05411	0.5
329.05646	1.0
355.16766	16.2
356.17072	0.6
359.06808	0.8
385.17819	23.0
386.18118	1.2
389.21744	0.4
449.14905	100.0
450.15253	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	449.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15947	0.3
59.01375	9.3
60.01705	0.4
61.98835	0.3
63.13755	0.3
70.70754	0.7
70.71100	0.6
70.87389	0.3
71.01373	4.7
72.99323	0.7
73.02955	0.4
73.74137	0.3
85.02950	1.9
89.02450	2.3
94.06618	0.5
95.01373	0.5
95.03757	0.7
96.00916	0.7
96.08179	1.5
97.01683	3.9
98.02482	0.5
98.06094	1.0
99.00877	0.4
100.04057	0.6
101.02437	1.2
106.06597	0.5
108.04527	0.7
109.01711	0.6
109.02869	0.3
109.05346	1.3
110.06112	0.8
112.19669	0.3
113.02446	3.1
118.06615	2.4
119.03490	0.3
122.06103	0.5
124.07674	36.2
125.02374	0.4
125.08032	1.1
126.05600	0.9
134.06114	3.2
136.04109	0.4
136.07658	0.6
137.04803	0.5
138.05557	1.0
138.09224	0.4
143.11171	0.3
150.05573	0.9
158.06137	0.5
161.04507	0.6
162.05595	7.0
163.06366	5.8
166.05092	0.8
176.07106	0.7
178.02708	0.4
178.05070	6.4
192.06628	1.0
194.04564	1.3
200.14404	1.6
205.07497	0.5
243.15016	5.0
282.51062	0.3
283.14493	1.0
285.55539	0.3
287.13983	100.0
288.14276	6.1
301.15591	2.6
329.05811	0.5
329.15018	15.0
330.15247	1.3
449.09924	0.7
449.19254	4.0
449.27478	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	449.1496
Annotation	Suvorexant
Peak:m/z	Relative Intensity
51.48577	0.4
54.96827	0.4
59.01371	1.5
61.98828	1.5
62.96410	24.1
69.39081	0.5
71.25991	0.9
78.95905	58.6
80.97469	32.3
87.62150	0.4
88.27212	0.4
96.96013	0.7
116.60719	0.4
121.02969	0.7
133.02975	0.5
149.00084	13.2
179.01117	1.9
185.61200	0.5
205.15973	7.6
242.98259	6.1
285.12625	2.0
327.05084	0.5
329.05652	1.5
355.16776	18.8
356.17029	1.2
385.17838	23.5
386.18445	1.3
449.14975	100.0
450.15433	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	449.1088
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
50.12900	0.6
57.03437	2.8
58.23002	0.6
59.01097	1.2
59.01374	9.9
61.98822	2.4
63.02391	7.9
65.00323	9.9
71.01385	3.3
71.34184	1.1
83.01381	7.5
85.02932	1.3
86.07559	0.6
89.02424	2.4
93.03460	1.3
99.04533	0.9
101.02414	2.3
104.60347	0.7
107.01389	18.9
113.02444	1.6
117.03443	3.4
119.04995	0.9
123.00895	1.5
124.01653	4.8
125.02435	9.0
133.02960	1.5
134.03659	2.0
134.08272	0.6
135.04520	5.9
136.85162	0.6
139.00446	1.0
149.02441	1.7
151.00359	55.0
152.01147	36.8
152.02397	1.4
169.01425	3.2
169.06581	0.8
174.08005	0.6
177.05482	1.4
178.99841	31.5
180.00508	2.0
181.06554	0.7
181.17542	0.8
193.01306	0.8
196.05209	1.0
197.06079	1.3
201.05588	1.7
224.04832	0.7
225.05624	3.9
241.04900	1.1
259.06082	5.5
260.70578	0.7
269.04523	100.0
270.04944	6.4
286.04739	2.8
287.05521	4.4
298.04593	0.7
299.05313	0.8
301.06039	0.9
323.07709	0.9
327.04822	1.4
329.05646	2.8
359.06757	1.4
449.10831	76.7
450.11313	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	449.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77502	1.0
56.59890	0.9
57.03447	5.7
59.01374	38.3
60.01701	1.2
61.98828	38.4
63.02394	1.1
65.00320	3.7
65.62247	0.9
71.01371	4.0
71.56339	0.9
71.56750	1.1
72.99301	8.8
73.02937	2.5
75.00875	1.1
81.03450	2.9
83.01382	7.2
85.02947	2.9
86.83720	0.9
89.02445	6.1
90.11137	1.0
93.03466	4.8
95.01402	1.4
96.96010	6.5
97.02956	1.5
101.02438	4.8
103.08664	1.0
107.01385	6.6
109.02945	1.8
113.02433	3.3
119.03498	1.5
119.05022	1.1
121.02937	2.7
123.04506	3.2
124.01603	1.5
125.02435	54.4
126.02783	1.9
131.05025	1.1
133.02934	3.5
135.04491	1.7
137.02438	3.5
138.93712	1.0
139.03989	1.9
149.02425	4.1
150.03209	3.3
151.00356	18.0
151.03975	1.0
152.01097	3.5
153.01875	6.2
158.03658	1.0
159.04448	1.7
161.02435	3.1
161.04529	2.7
165.01912	3.7
165.05537	3.3
167.03484	3.4
172.05280	3.8
173.06058	8.0
175.00362	1.5
175.03993	2.0
176.44328	1.0
177.05524	4.5
178.99838	16.5
179.03455	1.1
179.05502	1.1
181.01347	2.7
187.07722	1.2
195.06586	2.7
199.03940	1.0
199.07594	1.9
201.05536	3.6
215.07066	12.9
223.06148	1.0
241.04909	2.4
243.06548	9.1
259.06085	100.0
260.06412	5.4
269.04373	2.5
273.07632	2.1
283.06107	19.2
284.06424	2.3
285.07651	1.0
287.05594	63.0
288.05920	4.4
289.22833	1.1
291.41345	1.3
301.07153	10.5
311.05542	1.7
313.07199	1.7
329.06406	5.7
359.07831	1.1
387.16583	2.3
389.21844	1.5
401.12384	1.5
421.11426	17.2
422.11594	1.4
440.85745	0.9
449.10757	18.1
449.15796	1.1
449.20486	2.7
450.11035	1.2
461.80594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1087
Annotation	3,4,2',4',6'-Pentahydroxychalcone 4'-glucoside
Peak:m/z	Relative Intensity
56.69978	0.2
57.03447	16.9
59.01381	4.2
61.98828	0.7
69.79254	1.2
71.01385	0.8
72.55877	0.2
72.99285	0.3
74.70748	0.2
75.00875	0.4
81.03447	2.3
83.01382	6.0
85.02937	0.3
89.02455	0.4
99.04507	1.0
100.45221	0.2
101.02441	0.6
113.02475	0.4
123.04539	0.6
125.02448	100.0
126.02785	2.7
133.02969	0.7
135.04471	0.2
137.02515	0.2
137.09718	0.4
143.07135	0.2
148.01700	0.5
155.10693	0.2
159.04521	0.3
161.02443	8.3
162.03218	1.8
171.58148	0.2
177.01871	0.2
177.05577	0.6
201.05548	0.3
269.14075	0.4
287.05725	1.4
287.08472	0.3
328.67407	0.2
329.05566	0.5
359.06784	0.4
449.10858	31.1
449.20828	0.9
450.11218	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	449.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.4
59.01377	17.1
61.98827	10.5
65.00319	1.7
69.28016	8.5
71.01384	8.1
72.99310	1.6
73.02934	2.3
81.03442	10.2
83.01384	6.7
85.02942	1.7
85.04099	1.6
89.02448	2.9
93.03438	5.3
95.01385	3.2
95.05011	6.7
96.96006	21.2
97.02940	8.9
99.04505	7.2
101.02415	3.6
105.03429	2.8
107.01385	2.9
107.05002	2.4
108.02121	2.5
109.02946	5.3
111.04506	2.3
113.02454	1.4
119.03491	1.6
119.05027	1.7
121.02945	4.8
122.02438	2.4
123.04520	17.1
125.01513	2.8
125.02441	56.5
126.02804	1.9
128.03511	3.6
131.05043	1.8
133.02963	5.3
135.00850	1.5
135.04515	2.0
137.02446	11.3
139.04002	4.2
143.79955	1.2
149.02419	8.6
150.03183	2.2
151.00363	2.5
151.03972	3.3
152.01076	2.2
153.01901	4.1
155.03479	2.5
157.06305	2.6
161.02397	3.0
161.04575	1.5
163.00395	3.4
165.01907	13.4
166.02647	10.9
167.03473	45.0
173.06041	2.9
175.03949	2.2
177.01956	3.0
177.05583	3.9
178.99855	1.4
179.03487	3.6
184.31415	1.2
190.02654	2.7
193.01442	5.7
193.53181	1.2
194.02217	6.1
196.07274	1.5
197.04532	10.5
199.07565	1.8
201.05545	6.4
203.03508	4.5
215.07100	5.1
221.00906	2.3
224.03128	1.6
229.08659	2.2
241.04919	2.0
243.06558	13.9
245.04463	1.3
255.06564	2.2
257.08151	3.4
259.06122	15.6
260.06110	1.3
269.04480	2.4
269.13882	3.9
271.06088	3.6
273.07660	1.7
283.06226	2.6
285.07687	4.8
287.05643	11.2
299.05515	1.6
301.07150	40.6
302.07437	2.3
311.05484	6.3
320.09085	5.9
329.06638	100.0
330.07050	9.0
331.08258	11.0
341.06607	2.0
351.30817	1.3
359.07669	32.7
360.07889	1.4
371.07529	1.3
431.09644	5.0
449.10822	77.2
450.10934	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.3
58.16758	1.2
59.01378	26.8
61.98827	9.7
65.00317	2.5
69.49417	3.3
69.49828	6.9
71.01383	8.2
72.99319	2.4
73.02946	1.8
75.00828	1.5
76.15169	1.3
78.98585	1.5
81.03442	9.3
82.09847	1.3
83.01383	5.4
85.02951	2.1
85.04057	4.9
87.05615	1.5
88.04008	1.7
89.02451	4.4
93.03462	5.4
95.01379	3.9
95.05024	5.8
96.96012	19.1
97.02949	9.2
99.04541	7.6
101.02428	3.1
101.37788	1.2
105.03463	1.7
107.01374	2.2
107.05042	1.8
109.02944	6.7
111.04507	2.2
113.02425	1.7
115.04021	2.0
116.79135	1.2
119.03489	1.5
121.02930	4.2
123.00866	2.1
123.04514	14.4
124.01675	1.5
125.02444	62.2
126.02772	1.9
127.05141	1.4
128.03540	16.5
131.05054	2.0
133.02975	6.5
135.04596	2.6
137.02446	10.0
138.03206	2.4
139.04036	3.4
145.06375	1.6
149.02454	9.0
150.03232	2.1
151.00351	3.9
151.04010	3.7
152.01094	3.0
153.01898	3.2
157.06186	8.6
159.04524	2.2
161.02414	2.8
163.00385	2.9
163.03914	1.5
165.01981	9.4
166.02681	11.5
167.03485	39.6
168.03831	2.5
173.06021	3.0
175.03978	2.3
176.01151	2.6
177.01913	2.0
177.05544	4.8
178.99892	1.9
179.03455	2.8
179.05730	1.5
191.03380	1.5
193.01436	7.3
194.02168	6.0
196.07390	1.7
197.04489	7.4
201.05536	5.7
203.03502	4.3
207.02968	1.5
215.07115	4.2
221.00922	1.7
224.03137	2.1
229.08681	2.9
243.06566	17.4
255.06606	2.0
257.08228	4.0
259.06079	14.8
269.04434	2.3
269.13889	4.7
283.06110	4.4
285.07724	3.2
286.10315	4.5
287.05630	12.9
299.05496	1.7
301.07138	38.2
302.07608	4.4
303.95938	1.4
311.05539	6.0
313.07056	3.3
320.09201	19.6
329.06628	100.0
330.06924	7.1
331.08173	12.4
341.06747	2.8
359.07733	33.5
360.08087	1.5
401.08853	1.7
431.09637	5.6
449.10806	62.5
449.15787	2.2
449.20700	3.3
450.11169	5.6
450.16519	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	448.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.2
61.98829	100.0
70.40115	1.1
71.37147	1.6
78.95892	5.0
83.23568	1.4
85.16967	1.1
90.05005	1.1
93.67977	1.3
96.96942	1.1
113.88087	1.0
126.46596	1.2
133.02983	2.5
134.03278	1.7
152.99544	10.8
161.23386	1.2
200.78917	1.3
285.03754	2.7
286.04306	2.8
298.04437	3.8
299.05325	4.1
300.05838	4.4
327.04947	3.7
328.05460	17.9
329.05783	1.2
358.06470	9.8
430.08508	2.1
448.09665	13.8
448.31393	4.1
449.09457	1.8
449.22968	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1086
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
52.37049	0.8
57.03444	10.4
59.01375	20.8
60.01700	1.8
61.01789	1.3
61.98827	85.0
62.98527	0.8
63.02394	1.3
65.00319	3.4
68.85419	0.7
69.71373	1.7
69.71783	3.3
71.01391	4.2
71.66361	0.7
73.02925	1.6
81.03443	4.1
83.01377	8.3
85.02893	0.8
89.02441	1.9
93.03455	2.7
97.02938	2.1
101.02431	1.9
105.03469	0.9
107.01379	5.8
107.05028	1.6
109.02972	1.3
113.02431	1.7
116.21508	0.9
117.03477	2.2
119.03531	1.5
121.02946	1.8
123.00898	0.9
123.04480	1.3
124.01661	1.7
125.02439	100.0
126.02794	1.3
129.05530	1.0
131.01953	0.7
133.02997	1.9
135.04439	1.1
139.04001	2.1
149.02400	9.8
151.00354	21.4
152.01161	4.5
153.01935	7.6
157.06519	1.3
159.04428	1.2
161.02463	0.8
163.00385	1.0
165.01924	2.1
167.03497	6.0
169.06549	1.8
172.05278	1.3
173.06096	4.6
176.01064	1.0
177.05551	3.4
178.99855	14.1
179.03508	4.0
181.06532	1.1
193.01404	1.3
196.05333	1.2
197.04492	1.0
197.06096	1.9
199.03908	1.8
200.04797	0.9
201.05537	4.6
213.05713	1.0
215.07059	5.0
225.05536	5.4
241.05016	3.1
243.06606	5.3
259.06085	74.5
260.06509	4.7
268.23895	0.9
269.04526	73.4
270.04895	5.6
283.06058	1.3
286.76349	0.8
287.05585	57.2
287.08893	2.7
288.03076	0.9
288.05771	4.3
311.05624	2.3
329.06851	1.8
341.05463	1.2
342.05832	2.4
389.21515	1.8
421.10971	1.5
431.09747	2.0
449.10834	87.0
450.11328	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
58.10714	0.3
59.01376	18.9
60.01700	1.7
61.98829	100.0
70.89210	0.8
71.01385	2.1
73.02953	1.3
74.03316	0.5
81.03479	0.4
82.41823	0.3
82.85644	0.3
83.01406	1.3
85.14075	0.3
89.02441	1.7
98.07040	0.3
101.02442	1.4
102.02746	0.4
107.01374	0.6
111.31055	0.3
113.02456	0.9
113.05920	0.3
114.46601	0.3
119.03526	0.6
123.04544	0.5
125.02441	10.6
126.50516	0.3
131.05054	0.3
133.02951	0.4
133.10504	0.3
138.27663	0.3
149.02470	0.6
151.00380	2.2
152.01160	0.6
153.01941	0.9
153.18620	0.3
157.06693	0.3
161.04552	0.6
162.04909	0.4
167.03467	0.9
173.06088	0.5
178.99858	1.5
179.03526	0.4
190.13313	0.3
190.43475	0.3
197.63840	0.3
201.18629	0.3
217.33310	0.3
225.05486	0.4
230.48965	0.3
241.05106	0.5
243.06602	0.7
248.74294	0.3
256.13925	0.3
259.06104	7.5
269.04553	5.4
287.05612	6.0
287.08536	0.5
311.05457	0.4
388.20612	1.1
449.10873	9.4
449.16928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69384	1.1
51.18831	1.1
59.01378	5.9
61.98827	100.0
65.95751	1.0
69.93994	5.5
78.95897	4.4
95.64678	1.4
96.95997	3.2
98.19975	1.9
116.92851	2.0
116.97269	1.1
125.49857	1.1
133.02910	3.3
134.03246	1.4
148.01645	1.2
152.99568	4.1
163.03958	1.2
166.93211	1.3
284.03088	1.3
285.03644	2.6
286.04288	2.6
297.04160	1.8
298.04416	5.4
299.05310	4.7
300.05887	5.5
327.05063	4.8
328.05399	20.8
340.05270	1.9
357.06229	1.6
358.06506	12.8
367.16522	1.6
430.08377	1.9
448.09351	16.9
449.09769	1.7
461.90253	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
57.31716	0.2
59.01377	17.0
60.01700	1.3
61.01803	0.2
61.98826	100.0
68.90343	0.2
69.38333	0.4
69.38732	1.2
70.75473	0.2
71.01373	2.1
72.99321	0.5
73.02957	0.8
83.01389	0.3
85.02986	0.2
89.02439	1.6
98.20631	0.5
99.00863	0.2
101.02428	1.3
102.05618	0.2
106.10374	0.2
113.02443	1.1
119.03535	0.3
121.02942	0.4
121.21085	0.2
122.61633	0.2
125.02454	0.9
128.03571	0.4
135.04539	0.7
137.02461	0.6
142.06183	0.2
146.04587	1.4
161.02440	0.2
161.04561	0.5
165.01964	0.5
179.05656	0.5
190.02808	0.3
285.03812	0.3
287.05801	0.4
287.09241	1.0
298.04395	0.3
299.05258	0.5
300.05997	0.4
327.05084	0.5
328.05368	1.3
329.06155	0.2
358.06619	0.8
388.20609	0.4
389.21783	0.3
400.16229	0.2
402.11133	0.2
448.09576	1.7
449.11057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1611
Annotation	Lycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01374	0.6
59.78763	0.2
60.03421	0.2
63.53096	0.2
70.08979	0.7
70.09315	0.2
70.79134	0.2
71.90627	0.2
96.96033	0.4
117.83358	0.2
122.02431	0.5
122.03726	2.4
123.04525	1.5
135.04510	2.3
137.02457	0.3
137.59526	0.2
147.03250	1.3
152.01048	0.3
154.02692	0.4
160.04053	0.2
162.05598	100.0
163.05948	4.1
234.52324	0.2
286.10834	56.1
287.11166	4.2
352.06476	0.2
379.58334	0.2
402.71497	0.2
448.16165	4.1
449.16455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
59.01376	18.6
60.01709	1.3
61.01790	0.2
61.98826	100.0
69.47923	1.7
69.60682	0.2
71.01382	2.2
72.99312	0.4
73.02940	1.0
76.44300	0.2
83.01392	0.3
85.02970	0.3
89.02447	1.5
97.02920	0.3
97.15649	0.2
98.20649	0.4
101.02413	1.3
102.02781	0.3
102.05609	0.5
113.02459	0.8
114.02746	0.3
119.03526	0.6
121.02929	0.3
125.02439	0.8
128.03584	0.3
133.02937	0.4
135.04562	0.4
137.02486	0.6
141.22119	0.2
143.03578	0.3
146.04564	1.1
161.02362	0.4
161.04594	0.6
163.04025	0.2
165.01958	0.2
179.05646	0.3
285.03983	0.3
287.05826	0.4
287.09283	0.8
297.03821	0.2
300.05887	0.3
327.05261	0.4
328.05475	1.0
329.06369	0.3
358.06543	0.9
388.20459	0.3
405.21896	0.2
448.09695	1.5
449.10709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.9
61.98816	0.5
63.72769	0.6
68.14995	0.5
69.54028	2.8
70.98047	0.4
71.01379	1.7
78.03495	2.1
89.02447	0.9
96.96001	4.9
101.02427	0.9
108.02193	0.8
109.02982	1.0
117.86640	0.4
121.05040	1.9
122.02472	100.0
123.02796	2.6
123.04520	1.2
126.46689	0.4
132.03011	0.8
136.04037	3.4
152.01088	1.0
153.01640	1.4
157.21565	0.5
162.05600	11.2
163.05949	0.7
164.03482	0.8
165.01935	0.5
286.10858	6.4
306.86395	0.6
340.11182	0.5
388.12521	4.3
389.13620	0.5
448.11606	1.9
449.11404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01685	1.1
60.95384	0.8
61.73355	0.8
61.98816	0.9
63.42504	0.8
71.01384	7.8
71.31396	1.6
73.02931	1.9
76.23495	0.7
81.31425	0.8
85.02945	1.8
88.98792	2.1
89.02445	7.0
101.02410	4.7
113.02454	3.7
116.91117	0.8
119.03475	3.2
125.02458	0.9
133.02968	1.3
143.03494	1.0
161.04581	5.0
179.05591	2.5
189.12772	1.9
204.10272	0.8
207.54951	0.8
212.07118	0.7
285.04111	0.9
297.04105	1.2
298.04745	1.0
299.05579	3.2
312.43268	1.0
327.05084	9.8
328.05368	1.1
339.05069	0.9
357.06088	3.1
381.65302	0.8
387.20285	4.8
388.20413	1.2
392.24933	0.7
405.20248	0.8
429.08002	0.9
447.09213	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.4
70.31760	1.1
78.95898	4.7
110.98532	3.6
160.40379	0.3
167.01160	2.1
185.02211	3.6
227.56796	0.3
235.53584	0.3
245.36583	0.3
250.23456	0.3
261.22220	0.4
279.23260	100.0
280.23584	7.3
357.06409	0.3
447.25092	9.5
448.25269	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01377	11.7
59.05011	0.2
60.01710	0.7
61.98827	100.0
69.57501	1.4
71.01377	1.4
72.99324	0.6
73.02940	0.8
83.01401	0.7
85.02935	0.4
89.02443	1.0
93.07278	0.2
96.96022	0.3
101.02406	1.1
102.05602	0.2
113.02450	0.6
119.03540	0.4
121.02881	0.3
125.02435	3.9
128.03534	0.3
133.03064	0.3
137.02495	0.4
146.04625	0.7
150.03302	0.3
161.02444	1.6
161.04561	0.2
165.05577	0.4
177.02002	0.3
190.02690	0.5
205.05060	0.8
259.06204	0.5
285.03616	0.3
287.05750	1.7
287.08942	0.4
300.06015	0.3
328.05511	0.9
329.06747	0.4
358.06427	0.3
385.11661	0.4
388.20786	0.5
420.45395	0.3
422.19562	0.2
448.09772	0.9
449.10840	2.1
460.24985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01720	0.7
61.72692	0.6
70.33504	2.2
71.01378	5.8
85.02945	1.3
89.02435	7.3
95.26029	0.8
101.02425	4.1
105.02867	0.6
113.02443	3.6
117.78268	0.6
119.03513	3.3
123.05413	0.6
131.03473	0.7
143.03500	0.8
161.04512	3.3
171.26199	0.6
179.05627	2.0
189.12794	1.3
195.52930	0.6
248.48672	0.6
298.04535	0.8
299.05615	1.4
327.05017	3.6
354.92252	0.7
357.06024	1.1
369.18973	0.8
387.20145	6.2
388.20642	0.9
447.09399	2.3
447.22656	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12636	0.3
53.48711	0.4
57.95280	0.3
59.01376	100.0
60.01705	1.1
61.98832	3.5
70.03456	1.7
71.01385	7.8
72.99322	0.5
73.02937	3.9
78.66675	0.3
83.01397	1.1
85.02959	1.0
87.00903	0.4
89.02441	9.1
95.01384	0.8
96.95998	1.8
99.04615	0.5
101.02438	5.0
108.70164	0.4
113.02428	3.9
119.03498	3.7
122.02493	0.6
125.02473	0.8
131.03494	0.7
143.03557	1.0
161.04576	1.7
167.03514	1.1
167.10773	0.4
179.05592	3.5
191.29788	0.4
209.04619	0.4
236.60210	0.4
241.04926	0.5
243.06512	0.5
272.53412	0.4
284.03238	0.5
299.05725	0.5
323.74582	0.4
327.05069	1.9
330.61038	0.4
357.06235	1.1
387.20340	1.0
447.09006	2.5
447.15298	1.8
447.22836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41256	0.4
59.01377	100.0
60.01725	1.0
61.98829	12.9
65.33968	0.4
69.86559	2.2
71.01380	5.6
73.02934	2.4
83.01389	0.7
83.93961	0.4
85.02945	1.7
85.03414	0.4
89.02444	3.1
101.02428	4.0
110.18546	0.5
113.02428	2.0
119.03519	1.6
123.08186	1.5
128.30183	0.4
137.09726	0.6
143.03510	0.4
145.72350	0.4
153.09181	0.5
159.02972	0.4
161.04543	4.7
163.11296	1.3
164.33571	0.4
179.05650	1.8
185.60721	0.4
189.12857	1.7
207.13895	3.5
225.15076	1.1
229.75493	0.4
284.03506	0.5
299.05801	0.4
327.05124	0.7
387.20114	4.1
390.33850	0.5
405.70679	0.4
447.09845	0.5
447.22430	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
62.96412	1.2
70.95722	0.6
71.25420	0.3
78.95898	33.5
92.80959	0.3
96.96942	2.1
120.04385	0.3
133.02992	0.8
149.00084	16.3
158.92567	1.4
179.01138	1.8
205.15961	1.5
284.03259	0.5
285.04025	0.8
297.04108	1.1
298.04691	0.8
298.62091	0.3
299.05661	0.9
304.79034	0.2
322.87848	0.2
327.05023	4.7
339.05087	0.4
347.08182	0.5
357.06104	2.7
417.12424	1.0
431.10236	2.4
447.13425	100.0
448.13766	7.5
464.10385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.3
59.01109	1.2
59.01378	18.0
61.98814	1.5
65.00327	0.8
69.03442	2.5
71.01374	18.0
71.05011	0.8
73.02934	7.4
74.24806	0.8
75.00870	0.8
75.82498	0.7
80.02672	0.8
83.01389	3.9
85.02937	10.1
87.00870	0.8
89.02438	2.5
91.01894	11.7
95.01372	2.5
95.05029	1.1
97.02935	1.1
97.06583	1.1
99.00883	3.7
101.02441	15.7
105.03484	0.8
107.01384	1.8
107.04981	0.7
108.02173	16.0
109.02940	7.6
111.08149	8.7
113.02447	6.6
119.04964	1.0
121.02927	1.5
123.00887	5.1
123.04542	1.1
125.02443	1.4
133.02956	13.1
135.00885	11.6
135.04514	2.0
137.02446	4.6
143.03497	0.8
149.02425	2.3
151.99985	1.2
152.01146	15.0
153.01920	6.8
155.84871	0.8
159.02951	1.1
161.02396	2.5
161.04533	5.0
163.00333	2.3
163.03979	2.0
165.01907	2.4
165.12833	74.8
166.13165	4.1
175.03951	3.6
177.01845	1.7
181.12297	2.1
183.13879	62.8
184.14235	3.0
187.72464	0.8
191.03476	1.7
191.10736	1.9
193.01434	1.0
199.04051	1.1
199.07684	1.0
201.01952	1.4
203.03491	0.8
205.95038	0.9
209.11795	7.8
212.04739	0.9
213.05496	2.2
225.05475	1.4
227.03551	1.3
227.12805	6.5
237.09776	11.9
241.04913	1.3
243.06595	88.7
244.06917	4.6
253.05107	1.5
269.04517	1.9
279.05118	1.7
284.03317	5.8
285.04037	14.5
297.03784	16.8
298.04755	11.8
299.05560	20.7
300.05911	2.3
309.03961	1.0
311.05615	5.3
325.03503	1.0
327.05051	83.5
328.05423	4.5
330.03601	1.0
339.04926	6.5
341.06534	0.9
357.06131	35.9
358.06448	3.9
369.06082	2.4
399.07346	1.1
411.06885	1.2
429.08456	3.7
447.09253	49.9
447.22266	100.0
448.09369	2.8
448.22510	9.4
469.24780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1294
Annotation	Siebolside A
Peak:m/z	Relative Intensity
55.01880	0.8
57.03445	1.4
59.01378	11.8
69.03454	55.5
69.38326	1.7
69.38724	3.4
71.01373	2.4
73.02946	1.1
77.03955	0.7
79.01885	38.3
80.02232	0.8
81.03451	2.9
82.27599	0.6
83.01405	0.6
85.02942	2.7
90.19756	0.6
93.03447	1.3
95.01379	10.2
97.02948	30.2
99.04507	1.5
101.02454	1.0
107.01386	70.7
108.02213	11.8
109.02954	9.4
113.02460	1.9
121.02937	8.4
122.03690	0.8
123.00882	15.7
123.04516	1.2
125.02443	51.8
126.02748	1.0
126.43183	0.6
133.02939	8.1
134.03731	1.9
135.00896	3.3
135.04486	2.5
136.01649	6.0
137.02460	7.9
145.02945	1.4
149.02446	4.1
150.03267	1.0
151.00360	77.0
152.01208	3.5
153.01933	17.5
161.02417	2.1
163.03992	8.7
165.01920	1.0
167.10745	0.8
173.32936	0.7
175.03990	2.1
176.01016	0.9
177.01929	12.7
189.01994	0.7
191.03683	0.6
195.02806	0.8
197.06062	8.8
198.06708	1.0
203.03568	1.1
207.02991	1.0
211.13370	4.8
213.05562	3.0
215.07138	1.3
219.03035	1.5
225.05547	0.7
241.04996	0.7
242.05833	100.0
243.06570	66.8
243.09222	1.1
243.16014	1.2
244.06905	3.3
253.42949	0.7
255.02942	0.8
255.06523	1.0
279.05072	9.6
284.03168	2.5
285.04047	6.7
285.07700	5.0
297.03757	3.7
297.06589	8.2
298.04608	6.6
299.05557	9.1
311.05508	2.4
326.25064	0.7
327.05078	31.6
328.05432	2.4
339.07468	11.8
357.06122	14.0
358.06339	1.4
387.10870	2.8
387.19800	0.7
403.19751	1.2
429.08115	1.5
432.09390	0.9
447.09061	12.1
447.13431	8.5
447.22165	1.2
448.13922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1292
Annotation	Siebolside A
Peak:m/z	Relative Intensity
55.01853	1.0
59.01373	8.4
67.01858	0.8
68.80357	0.8
68.99808	1.0
69.03454	67.2
69.33669	0.7
69.55768	4.4
70.03786	1.5
71.01370	1.5
79.01890	51.1
81.03461	3.1
85.02955	2.7
95.01380	14.0
96.96010	10.4
97.02950	42.1
98.03309	0.9
98.19864	1.2
107.01391	89.7
108.02192	31.8
109.02975	4.9
113.02454	0.8
119.05005	1.8
121.02935	3.9
123.00886	19.7
125.02448	64.5
126.02785	2.1
130.51337	0.7
133.02962	7.8
134.03749	1.1
135.00885	73.8
135.04541	1.2
135.16396	0.8
136.01784	4.3
137.02432	2.1
149.02440	2.9
151.00369	86.7
152.01154	74.9
153.01952	7.2
160.71860	0.7
161.02457	1.5
162.39365	0.8
163.00394	1.2
163.04005	7.1
164.56952	0.6
165.01981	1.6
175.04012	1.4
177.01912	10.9
179.03477	1.0
191.03441	1.1
197.06079	1.7
198.06944	1.5
199.04018	0.9
225.05591	2.4
227.03427	1.1
241.97794	0.8
242.05838	92.2
243.06583	100.0
244.06967	6.8
255.06546	1.0
269.04480	0.9
284.03278	3.9
285.03979	6.0
285.07645	5.4
297.03873	7.0
298.04800	4.7
299.05652	9.8
311.05557	2.7
323.86249	0.8
327.05072	35.6
327.08954	1.9
328.05383	1.9
339.04520	1.0
339.07935	3.7
357.01782	0.9
357.06149	17.0
358.06290	1.0
369.06268	1.2
387.10779	2.4
429.08304	2.6
447.08282	7.4
447.13803	43.4
448.13248	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	447.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67953	0.3
57.15617	0.3
59.01380	6.6
61.98826	1.0
63.96255	0.6
64.24768	0.4
64.87543	0.4
65.00312	0.5
69.03455	1.1
69.51676	2.8
71.01388	1.4
77.03985	0.7
79.01897	1.0
79.95731	0.8
83.01386	0.5
85.02971	0.6
93.03458	30.1
94.03768	0.5
95.01393	0.4
96.96008	1.5
97.02933	0.9
101.02426	0.6
107.01404	1.5
108.02162	0.8
109.02953	1.2
111.00826	0.4
113.02404	0.4
119.05032	0.7
121.02956	4.2
123.04546	0.7
125.02451	1.4
133.02953	7.8
133.03889	0.7
135.00801	0.9
135.04483	1.1
137.02441	100.0
138.02795	2.6
145.02823	0.4
147.04488	0.6
149.02444	0.9
151.00400	2.4
152.01173	0.6
161.02443	0.6
163.00336	1.5
163.03984	1.0
165.01915	1.1
175.03996	1.7
177.01912	0.6
179.03439	0.5
181.06554	0.7
188.08434	0.4
191.03491	0.4
193.01323	0.9
198.03090	0.4
199.03900	0.8
199.07639	18.6
200.07973	1.0
201.01888	0.4
209.06155	0.6
211.03899	0.5
211.13486	0.5
213.05530	0.8
225.05637	0.7
225.25307	0.5
227.03436	0.5
229.05055	0.4
240.04231	0.5
241.05049	1.2
242.05872	2.2
243.06616	38.5
244.06865	2.6
253.05104	0.8
255.02827	0.6
255.06682	0.5
269.04465	0.9
284.03284	3.9
285.04086	7.3
285.07330	0.6
297.00632	0.5
297.04025	10.5
298.04764	6.5
299.05597	12.3
300.05923	0.7
311.05600	2.8
324.02567	0.9
327.05069	46.4
328.05453	3.2
337.03546	0.5
339.05112	3.9
341.06516	0.9
357.06146	21.0
358.06473	1.4
369.06116	0.9
387.11026	0.9
387.20297	0.5
411.07675	0.5
429.08356	1.8
447.09195	27.2
447.26120	2.2
448.09442	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76107	0.5
57.03438	1.1
57.48610	0.6
58.19006	0.6
59.01377	14.2
61.98812	1.2
69.03449	0.5
69.57646	1.7
69.58064	2.2
71.01376	8.3
73.02935	1.3
79.18822	0.7
81.03435	1.3
83.01386	1.9
85.02943	6.7
87.00849	0.6
87.80518	0.6
89.02438	3.4
93.03481	0.8
95.01360	1.1
95.19804	0.5
96.95985	2.1
97.02967	0.6
99.00863	3.7
101.02432	3.7
108.02167	39.3
109.02951	30.3
110.03300	0.9
113.02448	4.3
119.03501	0.5
121.02978	0.7
123.00881	1.3
123.04530	1.2
131.03450	0.9
135.04536	2.9
137.02509	0.6
143.03587	0.7
151.03973	0.7
152.01138	56.7
153.01930	50.2
153.02931	0.5
153.34486	0.6
154.02222	1.6
160.04083	0.6
162.05598	2.1
163.03984	1.5
165.01926	0.6
167.03467	0.7
183.39418	0.8
193.73083	0.7
241.04956	0.7
241.07228	0.7
284.03131	0.7
286.10706	0.6
389.18591	0.9
447.11380	100.0
448.11670	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01410	0.3
53.25043	0.2
53.38954	0.2
59.01370	2.3
60.66253	0.2
61.98819	0.6
65.03948	0.5
67.15375	0.2
69.58862	1.3
71.01387	0.3
73.49745	0.2
76.25755	0.3
88.55230	0.3
91.01893	7.5
93.03454	41.7
94.03788	1.0
95.01421	0.6
107.01392	0.5
107.10983	0.2
108.02167	9.1
109.02464	0.2
109.02963	2.3
121.02940	1.0
123.00872	2.4
123.04514	0.5
133.02948	2.5
135.00880	7.7
137.02437	100.0
138.02782	3.0
152.01147	8.9
161.02510	0.3
163.00333	0.5
163.04045	0.3
165.01912	0.3
175.03981	0.7
191.03485	0.3
193.01430	0.4
197.06125	0.7
199.04005	0.5
199.07622	0.2
201.01750	0.3
213.05574	0.9
215.07199	0.3
225.05620	0.3
240.04251	0.2
243.06595	48.4
244.06944	2.9
253.05121	0.3
269.04639	0.4
275.03809	0.7
284.03165	1.5
285.04034	2.6
297.04022	3.6
298.04764	2.3
299.05542	3.7
311.05530	0.8
324.02338	0.3
325.39200	0.3
327.05063	15.8
328.05438	1.0
339.05109	1.0
357.06091	6.9
358.06458	0.6
369.06238	0.3
380.56543	0.3
387.11237	0.4
406.61615	0.3
429.08450	0.7
447.08762	7.7
447.26202	0.5
448.09354	0.6
456.84695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54331	0.6
59.01381	8.4
65.00290	0.8
70.22891	1.9
71.01358	0.8
77.03970	0.9
79.01886	1.3
83.01410	0.7
89.02448	0.7
95.10398	0.5
98.19847	0.6
105.03418	0.8
107.01384	0.8
109.02950	2.9
111.93367	0.6
119.04961	0.8
121.02948	1.6
125.02437	1.2
132.02150	0.7
133.02939	19.1
134.03609	0.8
135.04517	3.0
147.04549	0.8
149.02420	1.7
151.00359	1.0
161.02412	2.7
163.00313	3.0
163.03979	2.5
164.01083	0.6
165.01909	3.4
173.02513	0.6
175.04001	4.2
177.01930	1.6
181.65051	0.6
191.03459	1.1
193.01375	1.2
199.03940	1.7
199.07642	0.9
201.01886	1.6
203.03346	1.0
211.03912	0.6
211.07530	0.6
211.58301	0.5
212.04678	0.8
213.05559	1.4
217.05042	0.8
224.04675	0.8
225.05621	2.5
227.03323	0.8
227.07028	1.0
229.05028	0.8
240.04234	0.8
241.04990	1.3
250.01302	0.5
253.05078	1.7
255.02966	1.7
255.06630	1.3
256.03796	0.8
257.04526	0.7
269.04568	2.5
271.05893	1.2
284.03250	6.5
285.04010	14.7
286.04333	1.1
297.04022	26.5
298.04758	18.2
299.05563	29.5
300.05942	1.8
309.03989	1.5
311.05569	7.0
312.05820	0.7
324.02823	1.0
325.03400	2.0
327.05063	100.0
328.05408	9.2
330.03662	1.2
330.20432	0.6
339.05099	10.8
340.05508	1.4
341.06512	1.9
357.06125	58.8
358.06461	5.5
369.06155	2.4
387.07196	0.6
399.06894	1.0
411.07199	1.0
429.08243	9.9
430.08328	0.7
447.09283	77.8
448.09589	9.3
453.52652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20370	0.2
59.01365	1.0
61.98834	0.3
65.00322	0.6
69.34473	0.9
69.34898	0.9
83.01369	0.6
88.79889	0.2
89.65333	0.2
94.29478	0.2
107.01386	1.0
118.10788	0.2
119.05012	0.5
121.02930	0.4
133.02939	7.9
149.02415	1.7
151.00359	4.5
175.03989	2.8
197.06091	0.3
198.03183	0.4
199.03999	2.0
201.01877	0.9
213.05476	0.4
215.03438	0.3
217.05005	1.2
229.05180	0.3
241.05006	0.9
243.02939	0.7
256.03754	2.0
257.04489	0.3
267.02792	0.3
273.03412	0.2
284.03238	4.0
285.04010	100.0
286.04364	6.3
286.07187	0.2
297.03946	1.4
298.04608	0.6
299.05615	0.8
327.05087	4.1
328.05612	0.3
339.05142	0.3
357.06036	2.0
369.05991	0.4
429.07745	0.3
447.09271	23.7
448.09689	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	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61802	0.5
59.01356	1.3
65.00317	1.0
69.80821	2.0
77.03947	1.1
79.01865	0.8
83.01368	0.8
94.71022	0.4
97.02933	0.8
107.01374	0.7
109.02934	2.7
119.05000	0.9
121.02951	2.2
125.02418	1.7
133.02942	18.4
134.03703	0.9
135.04472	2.0
137.02437	0.7
144.06853	0.5
147.04492	1.8
148.01628	0.6
149.02432	1.9
151.00337	0.5
151.03969	0.5
161.02440	1.8
163.00352	3.3
163.04012	4.7
165.01910	2.4
173.02403	0.5
175.03960	4.1
177.01871	1.0
187.03964	0.5
189.01898	0.6
191.03438	2.6
193.01344	2.6
198.03201	0.8
199.03975	2.5
201.01901	1.5
211.03943	0.8
212.04756	0.9
213.05522	1.6
217.05057	0.6
225.05545	1.7
227.03423	1.1
227.07036	0.9
229.04932	0.5
240.04179	1.1
241.05080	1.2
243.02919	0.8
253.05003	1.9
255.02998	1.7
255.06723	0.6
256.03790	0.9
257.04532	0.5
269.04453	2.1
271.06018	0.8
275.94257	0.6
281.04572	1.2
284.00296	0.9
284.03226	11.0
285.04004	8.3
297.04019	15.1
298.04770	12.4
299.05566	18.4
300.05908	1.8
309.04135	1.2
311.05457	2.7
324.02798	0.9
325.03543	1.0
327.05069	100.0
328.05432	6.6
339.05008	3.2
341.06766	1.1
357.06137	29.5
358.06519	2.0
359.14798	0.5
369.06070	2.9
393.06125	1.6
411.07031	0.6
447.09296	32.5
448.09781	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	446.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.5
61.98828	100.0
64.78517	0.7
69.30518	2.2
69.30944	3.2
71.38162	0.7
78.95906	1.2
109.02942	0.8
119.05003	0.7
133.03014	2.6
135.04498	0.7
152.99586	2.0
161.02478	0.8
163.00362	1.0
177.01813	0.7
199.04105	1.0
270.04962	2.1
284.03293	1.9
285.04080	1.8
297.04019	4.6
298.04816	2.7
299.05579	4.4
327.05090	17.1
339.05063	1.4
357.06110	9.4
399.07846	0.8
446.08417	1.1
447.09247	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	446.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41739	0.4
50.64828	0.5
56.25811	0.4
56.97997	0.4
59.01375	5.0
59.94691	0.4
61.98827	100.0
70.32234	1.6
71.86927	0.5
78.95907	5.2
96.96018	0.7
98.20581	0.6
109.02973	0.4
133.02979	2.0
152.99579	10.3
160.84215	1.4
165.01915	0.5
177.92590	0.5
215.42683	0.5
227.03537	0.5
259.85538	0.5
269.04535	1.0
270.05023	1.7
284.03281	1.0
285.03912	2.6
297.04044	3.4
298.04752	2.1
299.05469	3.4
303.57178	0.5
311.05563	0.8
327.05063	14.0
339.05231	1.4
357.06146	6.1
390.55801	0.5
429.08154	0.6
446.08212	1.1
447.09131	8.6
447.21744	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	447.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	7.9
59.01376	29.6
61.98818	5.1
64.66792	2.6
68.99775	3.6
69.77388	11.0
71.01376	44.8
72.99306	5.0
73.02943	11.1
76.59026	2.2
83.01376	11.8
85.02965	11.7
87.00892	5.2
89.02430	4.9
96.96028	3.2
99.00874	33.9
101.02425	5.9
104.03526	5.8
104.74165	2.0
105.01930	45.8
108.02171	5.0
111.00868	28.5
112.98802	100.0
113.02377	2.6
115.00367	12.1
117.01920	14.1
120.01221	9.4
122.03716	6.3
123.04523	3.0
124.98779	3.7
129.01947	25.6
133.02840	2.9
134.04707	13.2
141.01889	2.4
142.99857	30.7
145.01427	14.6
149.04543	10.5
152.01138	7.7
155.01682	9.3
161.04558	6.0
162.05592	43.3
164.18324	2.3
173.00899	96.6
175.02446	25.9
195.48528	2.4
205.03513	12.8
286.10803	32.7
315.06992	2.3
317.07123	3.1
327.05170	3.6
347.02429	3.2
447.11325	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	446.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41739	0.4
50.64828	0.5
56.25811	0.4
56.97997	0.4
59.01375	5.0
59.94691	0.4
61.98827	100.0
70.32234	1.6
71.86927	0.5
78.95907	5.2
96.96018	0.7
98.20581	0.6
109.02973	0.4
133.02979	2.0
152.99579	10.3
160.84215	1.4
165.01915	0.5
177.92590	0.5
215.42683	0.5
227.03537	0.5
259.85538	0.5
269.04535	1.0
270.05023	1.7
284.03281	1.0
285.03912	2.6
297.04044	3.4
298.04752	2.1
299.05469	3.4
303.57178	0.5
311.05563	0.8
327.05063	14.0
339.05231	1.4
357.06146	6.1
390.55801	0.5
429.08154	0.6
446.08212	1.1
447.09131	8.6
447.21744	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	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59496	0.9
59.01376	100.0
61.98532	1.2
61.98828	14.5
65.70985	0.8
71.25034	1.4
78.68908	0.8
84.12153	0.8
84.69247	0.7
85.02913	1.3
86.41758	0.9
88.14867	0.9
89.02428	1.3
91.03998	4.8
92.40730	0.9
94.42700	0.8
96.96008	25.8
112.98543	2.5
113.02416	2.0
121.02924	1.9
197.11871	1.1
211.13351	2.9
233.58028	0.9
268.03836	1.1
269.04507	12.2
277.21588	1.5
287.05444	4.2
293.20969	1.3
297.04022	4.4
311.22260	23.6
312.22498	2.0
325.03464	3.1
337.02924	2.2
346.98468	0.9
347.04895	2.0
354.12054	1.1
355.04501	1.4
445.07486	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	446.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13977	0.8
58.04094	3.0
59.01382	5.8
59.59088	0.8
61.98827	1.6
67.02994	2.0
69.57785	0.9
70.30215	3.4
71.01382	1.8
81.02195	1.1
81.04589	3.2
82.02991	1.2
83.02508	7.6
85.02953	0.9
89.02406	1.2
90.62234	1.0
92.05054	16.3
96.95992	2.3
100.04080	1.0
102.05592	5.4
106.04102	0.9
106.42875	0.8
108.02201	1.0
109.02889	2.7
109.04082	8.7
120.04544	3.6
124.05143	1.3
125.02390	0.9
126.06726	34.6
128.02588	1.5
128.03535	27.2
133.03088	1.1
135.05632	4.0
136.04019	2.6
137.02415	1.3
138.06715	1.0
145.02837	0.9
146.04593	6.5
147.05650	10.3
148.04028	19.4
152.01141	1.5
153.01906	3.0
160.04036	2.6
162.09244	1.0
163.06219	1.6
163.07593	1.1
168.00571	1.4
173.07191	1.9
177.10374	6.7
187.08752	0.9
189.10291	9.3
215.08182	2.5
221.09315	3.7
231.12398	1.7
233.09277	12.8
234.09747	1.2
256.11987	1.0
275.11465	37.3
276.11758	1.7
284.03094	1.1
285.10086	1.4
300.10941	4.0
317.13614	13.1
327.05109	2.4
342.15555	1.1
357.05902	1.0
360.16727	16.1
361.17264	1.0
385.16498	1.1
386.14505	4.1
387.13019	1.7
404.15707	84.8
405.15897	6.7
414.80881	0.8
428.16812	3.1
429.15262	9.9
430.15582	1.2
446.17892	100.0
447.11026	2.9
447.18167	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01714	0.7
61.98831	2.8
68.99577	0.5
69.76370	0.7
69.76782	1.6
71.01404	0.4
78.95913	0.5
81.01740	0.4
85.02996	0.5
85.24516	0.4
85.68127	0.4
88.98804	0.6
89.02407	0.5
91.04000	2.5
96.96005	9.3
113.02455	0.8
129.09245	0.4
152.91788	0.5
152.99611	1.4
171.10303	0.7
181.06651	0.5
197.11839	0.5
197.70358	0.4
211.13431	1.7
219.67253	0.4
268.03839	0.4
269.04483	6.9
277.21677	0.7
287.05658	0.6
293.21277	1.7
297.04120	1.8
311.22232	13.3
312.22644	1.1
313.03552	0.7
325.03577	1.3
327.05212	1.0
341.10535	0.6
355.04700	0.5
385.12979	1.0
397.71426	0.4
427.11295	0.5
445.07388	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	445.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87879	0.4
59.01368	1.4
78.95901	19.6
83.05035	0.5
94.98973	0.5
97.99683	0.4
98.19874	1.0
104.97471	1.0
110.98526	13.2
135.20930	0.4
137.00093	0.7
167.01132	15.5
182.12805	0.4
185.02174	4.1
256.86472	0.4
277.21695	100.0
278.22028	7.4
445.23557	24.5
446.23795	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	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	0.8
61.62476	0.6
61.98849	1.1
62.05419	0.6
63.63860	0.5
71.34144	0.8
76.48316	0.6
85.02956	0.5
85.69452	0.6
91.04024	2.4
96.96012	0.9
104.27846	0.5
113.02464	0.8
148.17938	0.6
162.79225	0.7
163.00458	0.6
197.11826	0.6
211.13412	1.2
214.27669	0.6
267.26163	0.6
268.03934	0.8
269.04529	8.1
270.04730	0.9
293.21332	1.4
297.04007	3.2
311.22266	13.8
312.22507	1.4
325.03577	2.1
327.05054	0.9
332.57230	0.6
445.07498	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	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
58.00611	0.5
59.01376	100.0
60.01704	0.5
61.98830	0.5
71.01377	14.9
71.09824	0.7
72.99318	1.0
73.02917	0.6
78.24428	0.4
81.03436	0.5
83.01379	0.5
83.05018	2.2
85.02944	2.3
85.11898	0.3
87.00883	1.2
89.02439	27.7
90.02793	0.7
95.01402	1.3
99.04490	0.7
101.02441	9.3
113.02441	8.8
119.03496	11.3
121.06591	0.7
122.68875	0.4
123.00897	0.6
124.01671	0.9
125.02466	3.9
131.03506	1.2
135.90169	0.4
143.03485	3.1
144.51494	0.4
149.02469	0.4
149.04555	1.4
149.99573	2.6
161.04539	4.0
164.04874	0.5
168.00632	5.1
169.01442	1.5
173.75354	0.5
178.65744	0.5
179.05603	21.1
180.05972	0.6
205.12395	0.6
222.28378	0.4
283.04691	1.3
301.05701	3.3
343.06732	1.0
445.09796	5.1
445.20898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
69.41326	0.4
71.96307	0.4
74.54723	0.4
78.95895	6.8
98.20634	1.0
110.98526	4.8
136.76537	0.4
141.25948	0.4
167.01096	1.9
185.02197	4.3
193.66905	0.5
275.20364	0.5
277.21698	100.0
278.21991	7.6
336.24857	0.4
354.70248	0.5
445.23599	8.9
446.23978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62095	0.7
57.03440	1.6
57.60892	0.6
59.01378	17.7
61.98827	95.1
63.02401	2.5
65.00317	0.9
69.72762	4.4
71.01376	7.7
72.69154	0.7
72.99306	1.6
73.02941	5.9
75.00874	2.7
81.28054	0.8
83.01395	1.6
85.02948	14.4
87.00874	2.5
89.02448	2.4
95.01392	2.3
99.00874	4.7
101.02429	4.2
103.00397	2.1
107.01396	3.0
113.02440	24.7
115.00392	0.8
117.01955	0.8
117.03429	3.4
129.01933	0.9
149.02434	2.0
151.00349	1.4
159.04486	1.8
161.02400	1.3
161.04547	0.9
172.53108	0.7
175.02467	5.9
183.04576	0.7
225.05539	1.3
241.05090	1.6
269.04526	100.0
270.04871	6.7
356.24429	0.8
445.07739	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63434	1.0
59.01371	10.3
59.66427	1.1
61.98814	1.1
69.70167	5.8
71.01381	2.9
72.00912	1.6
74.02471	1.6
75.00871	68.4
78.91549	1.0
79.06081	1.2
81.73291	0.9
88.24308	1.0
89.02448	6.2
95.49309	1.0
98.20725	1.2
101.02444	3.0
103.00369	100.0
104.00675	1.1
104.03535	8.3
113.02406	1.3
119.03449	1.2
131.04616	1.7
149.04518	5.0
172.09831	1.2
179.05577	2.4
341.10834	11.8
468.63324	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	445.0774
Annotation	Baicalin
Peak:m/z	Relative Intensity
57.03447	1.8
58.00613	0.2
59.01378	14.6
61.98824	2.3
63.02397	2.2
65.00317	1.3
67.01861	0.2
68.44965	0.2
68.45377	0.2
68.99802	0.4
71.01379	6.2
72.99293	1.2
73.02944	0.9
75.00868	3.1
83.01380	0.8
84.02155	0.3
85.02946	13.7
87.00872	2.2
89.00320	0.2
89.02469	1.4
93.03442	0.5
95.00806	0.4
95.01381	4.1
95.01984	0.2
96.95966	0.3
99.00877	4.9
101.02431	0.8
102.32425	0.2
103.00370	2.6
107.01382	2.2
111.00884	0.3
113.02448	25.1
114.02728	0.3
115.00343	1.0
117.01955	1.6
117.03458	5.1
118.03752	0.2
121.02953	0.5
129.01913	1.5
135.04471	0.2
149.02438	1.5
150.03062	0.2
150.33896	0.2
151.00357	1.9
155.04997	0.3
157.01375	0.5
159.04530	2.0
161.02429	1.2
161.04561	0.2
169.06563	0.6
171.04527	0.2
175.02461	5.8
180.05762	0.3
181.06566	0.5
183.04390	1.0
196.05310	0.5
197.06056	0.7
197.86975	0.2
199.03973	0.2
201.05518	0.8
224.04874	0.4
225.05542	1.2
227.03514	0.7
243.60539	0.2
268.03748	0.3
269.04532	100.0
270.04855	7.0
297.03967	0.7
400.84567	0.2
414.36075	0.2
445.07712	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	445.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.7
59.01378	77.8
61.98827	100.0
69.23584	1.1
71.01388	23.5
71.01772	1.9
73.02942	8.5
75.00870	1.2
80.81853	1.1
83.01368	2.7
85.02952	10.7
87.00921	1.5
87.34066	1.2
89.02454	7.0
92.75778	1.0
95.01394	3.3
96.96043	1.2
101.02440	18.8
105.23643	1.0
113.02447	30.2
114.67897	1.1
119.03503	5.3
131.03479	3.0
135.04507	1.7
143.03435	2.5
146.71097	1.0
149.04555	3.3
161.04544	7.2
175.00346	1.4
179.03445	1.9
190.02722	2.4
205.05005	2.5
221.06641	1.7
269.04550	12.6
297.03964	8.1
325.03424	4.2
327.05008	2.1
445.07312	10.5
445.16217	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	444.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	39.7
60.01727	0.9
61.98827	100.0
62.82284	0.6
65.67167	0.6
69.38046	2.2
69.38469	2.3
71.01379	6.9
73.02940	1.5
74.17281	0.5
75.00874	0.7
78.51650	0.7
83.01391	0.7
85.02948	1.3
87.00880	0.9
89.02440	1.5
93.03454	0.6
95.01421	0.6
96.95995	0.7
101.02437	2.9
113.02425	3.3
114.61770	0.6
115.54546	0.6
117.03519	0.9
122.67993	0.6
129.99741	0.5
131.05019	0.6
146.16771	0.6
161.04582	1.5
167.10770	0.8
170.26494	0.6
174.91275	0.6
203.05583	5.3
211.09801	1.2
268.03845	0.8
269.04547	9.5
283.03024	0.7
283.06210	1.8
297.03851	2.7
298.04755	0.8
299.50668	0.6
311.05695	2.5
325.03577	1.7
327.05225	1.0
337.07272	1.6
341.06677	1.4
367.08450	0.8
375.63776	0.6
431.10098	2.0
444.10580	0.7
445.07043	3.3
445.20627	7.0
457.11276	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	444.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	13.7
61.98826	100.0
69.46617	1.2
71.01353	1.6
71.58846	1.5
82.08372	1.1
96.96032	3.0
121.02984	1.8
141.37738	1.2
151.06404	1.8
152.07115	1.2
156.34451	1.1
160.84204	1.5
173.99301	1.1
206.98398	1.1
252.59705	1.2
269.04547	8.6
286.72781	1.2
297.03940	2.6
297.34854	1.3
325.03384	2.2
350.32510	1.2
415.82816	1.5
445.07712	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	444.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.4
61.98829	100.0
68.49894	0.6
70.24443	2.9
74.15241	0.8
74.64288	0.8
75.00948	0.8
96.96037	3.5
165.99405	0.7
269.04587	3.4
297.03989	1.3
321.67264	0.7
325.03757	1.0
445.08005	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	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62717	0.5
59.01377	100.0
60.01722	1.3
71.21060	1.0
73.31020	0.4
91.04021	1.6
102.73512	0.5
111.08195	1.0
162.26579	0.4
187.00784	0.5
197.11809	4.3
211.13493	0.5
249.13997	0.5
273.18765	0.6
291.19730	3.5
309.20728	8.9
309.24200	0.6
321.85876	0.4
323.87918	0.4
445.90903	0.5
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
59.01377	100.0
59.54979	0.4
60.01703	0.5
62.79440	0.5
70.93960	0.9
73.34373	0.4
74.49829	0.4
91.04015	3.3
110.00082	0.9
111.08177	1.4
113.04508	0.4
165.99092	0.7
197.11823	4.9
211.13565	0.9
228.79631	0.5
270.05533	0.8
285.07816	0.9
291.19644	3.9
309.20703	9.4
310.21158	1.0
320.56085	0.4
383.04614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.28
Annotation	Foetidinol
Peak:m/z	Relative Intensity
52.66418	0.4
70.55410	1.4
79.01916	0.5
79.61084	0.4
88.17674	0.4
116.78487	0.4
120.11772	0.4
123.04517	1.4
125.06068	3.9
125.09702	0.5
126.22432	0.4
134.83745	0.4
138.03270	0.4
139.03969	0.4
150.03188	0.4
151.03992	6.5
152.04770	0.6
165.05502	0.6
166.02670	0.9
177.01935	1.3
179.03511	2.2
180.04254	6.7
191.10698	0.6
193.08673	0.4
205.12306	0.5
207.06683	0.5
207.10245	1.7
217.08672	3.4
220.26726	0.4
221.08133	5.1
222.08965	2.4
233.08098	0.7
235.09729	79.1
236.10449	21.2
237.10825	1.2
239.34473	0.4
247.09715	4.1
249.11266	4.8
249.18491	0.8
261.11398	0.5
276.06241	0.4
289.14548	0.4
345.16937	0.4
357.20816	0.5
359.18457	0.7
373.20053	1.0
374.20950	1.0
399.28903	0.8
443.27985	100.0
444.28360	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	443.247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.76619	0.7
70.38380	1.6
74.99035	1.0
159.08469	4.2
161.06308	1.6
172.89049	0.6
217.07205	0.8
261.04385	0.8
277.07492	3.0
345.13895	1.5
357.13724	3.1
359.15311	100.0
360.15439	12.4
427.21564	49.9
428.21640	7.3
443.24744	11.7
444.24927	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	443.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03439	2.6
59.01377	11.0
62.65907	0.5
62.68659	0.5
69.41428	1.7
69.41848	2.4
71.01381	8.5
72.99313	0.6
73.02937	2.7
75.14588	0.5
76.71239	0.5
83.01383	0.9
85.02933	3.4
87.00883	0.8
88.67855	0.5
89.02436	2.5
90.34290	0.5
95.01373	0.7
99.00894	1.1
99.04552	0.7
101.02431	5.5
104.02694	0.6
105.03468	0.7
105.05568	1.2
113.02455	3.6
117.03474	1.7
120.80942	0.6
132.02167	16.5
133.02959	3.1
134.03741	23.0
135.04344	0.5
137.02440	1.1
147.04529	0.8
149.06050	3.1
150.06850	0.6
160.01653	81.6
161.01923	2.9
161.04602	0.8
175.03993	100.0
176.04308	3.8
179.03487	1.2
193.05054	26.6
193.12201	0.5
194.05582	1.5
195.06555	1.0
235.06105	0.8
267.10779	0.6
295.05850	1.3
323.05402	1.1
337.09201	0.6
399.12857	0.7
428.13397	0.9
443.15506	90.5
444.15894	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1667
Annotation	Difenacoum
Peak:m/z	Relative Intensity
55.82061	0.4
59.01359	1.9
59.50751	0.4
61.38021	0.5
61.98815	2.3
70.46957	0.8
70.47352	0.9
70.52784	0.4
71.01364	2.0
72.99303	0.4
73.02938	0.6
74.02467	0.5
82.02959	1.5
84.04530	1.8
85.41296	0.4
87.00859	0.4
89.02418	1.2
94.56138	0.5
96.96016	4.8
99.00875	0.5
99.05606	0.6
101.02413	1.1
101.07179	1.1
107.05006	0.6
109.04082	2.6
113.02403	0.6
122.03731	2.2
123.04526	18.3
125.03574	1.0
127.05129	35.8
128.03529	6.8
128.05475	0.5
135.04506	5.6
145.06184	10.7
149.06030	0.9
152.07170	13.6
174.05435	0.5
178.05034	0.5
191.07162	0.5
194.08243	0.5
206.08241	0.8
219.11356	2.1
220.09795	4.7
235.10864	7.3
236.09148	0.9
237.09837	0.5
237.12445	1.9
263.10342	11.6
264.10638	0.8
281.11395	100.0
282.11746	6.6
283.10336	0.6
305.11264	0.4
323.12640	1.6
383.02911	0.6
443.16696	48.1
444.17084	3.7
456.38159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
59.01379	11.4
62.60881	0.6
65.15942	0.6
71.01380	9.1
71.58752	0.8
73.02934	4.7
74.78989	0.6
82.78686	0.8
83.01376	2.4
85.02959	4.1
87.00857	0.6
89.02444	1.6
91.01899	1.3
93.03448	2.3
95.01395	0.8
99.00874	1.0
101.02441	5.9
106.44976	0.6
107.05048	1.0
110.37960	0.6
113.02432	3.5
114.01977	0.9
119.01376	3.5
121.02944	4.3
127.57866	0.6
134.03772	1.4
135.04472	2.2
136.01636	0.7
137.02454	4.6
147.00879	6.8
147.04509	1.0
149.02437	10.5
152.01158	2.2
153.01970	0.9
158.41168	0.5
161.02434	0.9
161.04512	2.3
162.03152	0.6
163.03957	3.1
164.04781	7.8
165.01915	1.4
167.03482	1.0
169.05078	0.9
170.35402	0.8
175.00351	33.8
176.00685	1.0
177.01942	1.0
179.03493	2.7
179.07152	1.4
190.02707	77.3
191.03085	3.4
193.01378	1.0
205.05045	87.0
206.05400	4.0
208.03775	1.6
209.04518	3.9
223.06102	13.6
239.05539	1.8
251.05469	0.6
295.06180	0.9
323.05292	1.4
413.11072	2.2
428.13071	3.9
443.15536	100.0
444.15936	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	442.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90971	0.9
59.01361	3.0
61.98822	4.0
63.16114	0.9
68.61809	0.8
69.62706	0.9
71.01369	2.2
71.57197	1.3
72.04536	2.8
75.00862	1.7
80.35842	0.9
82.02980	31.6
85.02938	0.9
85.85271	0.8
89.02448	1.1
93.03445	1.1
93.66361	0.8
96.96010	11.6
98.02475	17.5
100.04050	12.9
101.02435	1.1
107.05034	2.5
108.02208	1.6
113.02416	1.1
121.02887	1.0
122.03719	2.3
123.04522	48.0
123.86065	0.8
124.04824	2.2
126.01982	2.3
131.06155	0.9
135.04524	31.2
136.04843	2.0
145.17802	0.9
146.76459	0.8
152.07198	6.0
153.24930	0.8
178.08698	1.4
208.09822	4.3
218.08252	2.6
234.07759	6.7
236.09262	87.3
237.09506	5.0
249.97861	1.3
260.43491	1.1
262.07150	2.8
280.08270	17.7
281.11420	1.1
283.13226	0.9
355.67603	0.9
383.02991	3.4
442.13531	100.0
443.07925	1.7
443.13663	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	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.00584	0.6
59.01376	16.0
61.98818	0.9
67.93694	0.4
71.01377	7.3
71.21783	0.5
73.02956	3.2
73.05878	0.5
75.69929	0.4
81.03445	0.8
83.01395	1.8
85.02956	3.6
87.00850	1.2
89.02443	2.5
95.01376	0.7
95.86462	0.5
99.00876	0.9
101.02441	5.1
105.05585	1.5
106.05367	0.5
113.02452	3.3
117.03428	1.9
119.03523	0.9
121.02942	0.7
121.12255	0.5
123.04500	0.8
132.01263	0.4
132.02162	13.5
133.02927	2.2
134.03737	19.2
135.04404	0.6
137.02429	0.7
147.04523	1.0
149.06111	2.9
153.05531	1.0
160.01651	81.0
161.02011	2.9
161.04587	1.3
162.05545	0.7
175.03990	100.0
176.04343	3.6
178.02625	0.9
179.03464	0.8
179.10767	0.7
193.05048	24.4
194.05351	0.6
235.06165	0.9
267.06799	0.6
267.10770	0.7
285.89938	0.5
295.06073	0.9
296.07120	0.5
323.05600	1.6
337.09186	0.5
443.10123	5.0
443.15515	83.0
444.10205	0.8
444.15869	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	441.3732
Annotation	Cerin
Peak:m/z	Relative Intensity
54.24654	0.2
57.78091	0.2
70.55824	0.6
72.45774	0.2
112.72240	0.2
112.73380	0.2
196.41058	0.2
225.46036	0.2
310.16333	0.2
315.11093	0.3
358.02579	0.2
441.37329	100.0
442.37653	12.1
442.43921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3733
Annotation	Cerin
Peak:m/z	Relative Intensity
50.18047	0.3
59.01369	0.3
68.53304	0.3
70.40689	1.0
90.98150	0.3
133.82101	0.3
202.32288	0.3
214.01048	0.3
232.32281	0.3
319.32211	0.3
407.33307	0.7
423.36115	1.5
441.37366	100.0
442.37683	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	441.2489
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01854	0.3
57.03440	0.3
59.01375	100.0
60.01712	0.9
61.76171	0.3
61.98828	1.7
69.22909	2.7
71.01378	4.9
72.99310	0.4
73.02957	1.7
83.01389	1.0
85.02947	2.4
87.00873	0.5
88.04050	0.3
89.02448	0.6
96.96024	0.6
99.00887	1.0
99.51447	0.3
101.02430	2.8
113.02454	1.8
115.82404	0.3
119.03564	0.3
128.93860	0.3
135.04539	0.4
141.75142	0.3
143.03548	0.5
158.02264	0.3
159.03120	0.5
160.38063	0.3
161.04530	2.4
230.58699	0.3
285.12540	0.3
302.55109	0.3
333.94318	0.4
381.15494	0.8
381.22992	0.3
399.23837	2.8
419.92862	0.4
424.35043	0.3
441.25793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01873	0.4
57.03442	0.5
59.01377	100.0
60.01712	1.1
61.98838	0.7
69.20002	0.2
70.51920	0.2
71.01379	5.9
73.02950	2.2
80.36225	0.2
83.01403	1.0
85.02947	2.3
89.02454	1.2
95.01382	0.5
96.96008	0.4
98.19911	0.8
99.00872	0.4
101.02444	3.6
113.02443	2.4
119.03522	0.3
121.92062	0.3
125.02479	0.4
143.03546	0.4
157.58521	0.2
159.02951	0.5
161.04541	3.2
161.57361	0.2
199.06833	0.3
209.67584	0.2
399.23846	1.6
441.08386	0.3
441.21289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
58.00589	0.4
59.01377	100.0
60.01709	1.0
60.19341	0.3
69.03455	0.6
71.01377	8.5
71.16453	0.6
72.99323	0.5
73.02948	5.4
75.00864	0.3
75.12257	0.3
76.40317	0.3
79.69432	0.3
81.09491	0.3
83.01389	1.8
83.01817	0.3
85.02954	2.0
86.76598	0.3
89.02441	5.0
93.03474	0.8
95.01430	0.5
101.02440	6.6
107.87186	0.2
110.05813	0.2
113.02451	3.9
119.03495	2.8
131.03493	0.6
137.02457	1.2
143.03514	0.8
157.08737	0.8
161.04596	1.2
179.05661	0.8
209.11757	0.6
209.23389	0.3
211.13420	1.1
212.00163	0.3
319.88013	0.3
356.93903	0.3
399.24307	0.7
441.28586	4.5
442.29065	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	441.249
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.46430	0.2
56.09798	0.2
57.38717	0.2
59.01376	100.0
60.01711	0.8
61.98819	0.5
70.53469	0.3
70.53799	0.5
71.01382	6.0
73.02940	4.9
75.00872	0.3
78.27460	0.2
83.01376	1.2
85.02964	1.5
89.02439	2.5
95.01392	0.3
101.02439	5.1
113.02448	2.9
119.03502	0.9
131.03543	0.6
132.38684	0.2
143.03505	0.5
161.04587	0.9
179.05629	0.4
211.13538	0.3
217.00282	0.3
250.08301	0.3
293.21231	0.3
335.58310	0.3
381.22830	0.3
399.23975	0.6
441.28821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37851	0.4
54.82312	0.4
59.01377	100.0
60.01712	0.5
61.98830	1.2
69.56605	2.4
86.52489	0.4
96.96042	0.6
119.44382	0.4
136.11879	0.5
180.22397	0.5
194.92744	0.5
209.11855	0.7
210.49556	0.5
217.00389	0.9
245.19173	0.5
289.18124	2.8
307.19257	3.6
350.97064	0.5
441.37259	2.5
463.23260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
52.77078	0.3
59.01377	100.0
60.01703	0.8
61.98823	1.1
65.51276	0.3
71.01383	6.4
71.57986	0.5
71.58640	0.3
71.66653	0.3
72.99312	0.5
73.02936	2.6
75.00877	0.6
83.01404	1.2
85.02950	1.8
89.02434	3.0
92.46184	0.2
95.01411	0.6
96.96033	0.8
99.00819	0.3
101.02434	4.5
113.02451	2.5
119.03538	1.0
140.23032	0.3
143.03554	0.5
147.03070	0.3
150.29288	0.3
161.04550	0.9
163.03992	0.6
178.06334	0.3
179.05617	0.5
191.14464	0.4
193.08690	0.6
219.13924	1.1
269.04492	0.6
284.03473	0.4
381.15274	0.3
399.23782	0.4
441.08057	0.6
441.25543	0.8
459.92090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22152	1.0
53.88754	1.1
54.39888	1.1
57.03446	58.8
59.01376	14.0
69.18837	11.8
71.27611	1.0
77.72639	0.9
81.03452	23.0
81.48482	1.0
99.04510	11.0
101.02439	15.9
121.02935	2.0
134.03738	1.6
149.02434	55.7
150.02707	1.5
158.77460	1.2
163.03929	1.8
164.04784	100.0
165.05130	3.2
165.11136	1.2
166.02687	3.5
177.05534	2.1
179.07126	75.2
180.07474	2.7
183.06569	2.0
208.03732	4.7
222.05237	2.5
223.06113	9.4
297.09763	41.2
298.10080	3.4
339.10797	58.1
340.11099	4.4
358.18930	1.1
379.13959	38.9
380.14255	3.0
441.13922	22.3
442.14182	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00862	5.3
59.01366	19.9
61.98818	22.3
64.78883	5.6
70.83228	6.7
70.83537	8.4
71.01378	24.8
75.08218	5.1
75.49091	5.6
81.70631	4.5
83.24690	4.6
93.03456	11.3
96.96011	54.6
98.95595	7.9
101.02483	7.3
108.04510	6.8
113.02442	6.7
115.00335	10.0
119.05033	76.9
137.02440	19.0
149.06102	5.3
162.05627	13.0
163.04004	100.0
178.08679	16.6
203.49275	5.1
231.47807	5.7
325.09451	9.0
354.00339	8.8
355.07150	5.7
406.14996	30.7
441.19000	54.5
441.36407	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	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	4.5
61.98817	2.5
69.44186	6.8
69.44591	2.2
71.01370	4.9
73.02953	5.6
85.02911	2.8
89.02458	1.4
91.97221	1.5
99.52461	1.7
100.74854	1.4
101.02446	12.0
103.99554	1.3
131.03496	4.4
160.84277	2.0
161.04564	18.4
162.83934	5.3
235.62253	1.5
277.21704	100.0
278.22046	7.9
377.05917	1.6
420.39886	1.4
439.27771	2.0
440.05762	2.0
444.82397	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	440.156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.00580	1.2
58.03764	2.0
59.01378	53.5
61.98823	2.2
69.03453	1.4
69.46130	5.4
69.46548	1.8
71.01379	25.7
73.02943	24.7
74.03291	1.0
75.00875	1.5
79.05536	2.4
79.93311	0.9
81.03455	3.5
81.74299	0.9
83.01390	9.0
85.02946	4.6
87.00880	1.3
89.02452	19.1
95.01382	2.1
96.95973	1.0
97.06588	3.2
99.04516	67.3
100.04832	1.6
101.02441	42.0
109.06572	1.5
110.44541	0.9
112.68969	1.2
113.02457	13.8
113.06106	3.8
119.03492	5.9
123.04517	20.5
125.02443	21.5
131.03459	2.7
141.05571	4.2
143.03485	2.8
153.05568	2.4
153.52831	1.1
161.04546	25.1
179.05548	1.7
201.32790	1.0
233.06415	1.2
237.77745	1.1
243.34470	1.0
244.85696	1.0
281.08191	1.1
313.42068	0.9
440.15710	1.5
441.26309	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	440.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40345	0.4
59.01379	47.8
60.01696	1.0
61.98829	100.0
70.71919	1.4
71.01393	2.5
73.02953	1.7
77.66917	0.4
81.02750	0.4
83.01388	0.5
85.02951	1.2
89.02460	0.4
94.78790	0.4
101.02441	2.7
113.02453	1.2
124.77786	0.4
145.06682	0.4
161.04546	0.8
164.35249	0.5
237.32867	0.4
291.18152	2.5
295.31357	0.4
322.43613	0.4
333.19244	0.5
399.23956	0.9
399.63449	0.5
407.27103	0.5
422.77188	0.4
425.14746	0.7
440.17059	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	439.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35968	0.2
59.01376	100.0
60.01712	0.9
61.98822	2.7
68.39467	0.2
69.73709	0.8
69.74122	0.8
71.01387	3.3
72.99360	0.3
73.02940	1.4
83.01387	0.6
85.02950	1.6
89.02457	0.5
95.01413	0.2
96.96019	1.0
97.40859	0.3
99.00898	0.6
101.02435	2.4
113.02422	1.7
117.29935	0.2
125.02541	0.3
145.63676	0.2
161.04570	1.8
205.16129	0.3
217.16069	0.3
278.99069	0.3
323.76041	0.3
334.41144	0.3
335.58350	0.3
379.21436	0.4
397.22238	2.8
398.22977	0.3
440.16833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.7
59.01380	17.2
61.98833	27.6
69.20311	38.0
71.01379	10.4
86.31094	4.0
89.02454	6.4
92.21110	4.3
96.96012	100.0
96.96978	4.7
101.02417	5.0
107.56746	4.5
113.02480	4.2
114.05607	9.1
116.92848	6.4
119.05014	15.0
122.02531	4.7
137.02419	14.1
140.01105	5.7
149.02400	5.6
150.03223	15.0
155.03488	8.6
165.01912	15.4
165.05565	25.0
180.04269	15.5
195.06593	37.5
275.25092	4.4
278.10263	11.9
357.03918	4.7
391.14001	14.5
439.17645	68.1
440.17575	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	439.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51677	0.7
59.01377	100.0
60.01718	0.8
61.93624	0.8
61.98818	0.9
71.01378	23.9
71.57053	0.8
73.02946	1.2
75.02279	0.8
79.08802	0.7
85.02965	2.1
87.00937	1.1
87.56769	0.6
89.02460	1.9
96.96047	0.8
99.00889	1.0
101.02422	3.2
113.02450	2.0
115.07607	0.7
116.46259	0.7
143.07214	1.1
161.04596	3.0
161.08205	8.6
171.68156	0.8
187.09818	2.1
215.09210	4.5
259.11914	2.2
277.12891	3.5
305.12473	0.8
319.13895	7.6
341.09488	0.8
347.13516	1.7
371.74277	0.8
396.60052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
59.01376	100.0
60.01714	1.4
61.98826	22.1
69.33327	2.2
71.01376	6.5
73.02572	0.4
73.02921	1.6
74.03335	0.2
78.30997	0.2
83.01392	0.5
85.02950	2.3
87.00880	0.4
89.02480	1.2
95.01396	0.6
96.96014	0.4
99.00872	0.8
101.02438	3.2
113.02449	2.4
119.03508	0.3
140.24741	0.3
143.03490	0.4
159.03009	0.3
161.04547	3.5
296.15131	0.3
379.21573	0.3
384.69977	0.3
397.22131	1.2
439.23169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83463	0.4
59.01380	3.8
61.98816	1.5
67.01904	0.5
69.98212	0.7
69.98621	1.5
71.01379	0.9
73.02978	0.6
80.78287	0.4
89.02444	1.0
89.63868	0.4
93.03442	1.6
96.96003	5.3
101.02407	0.6
113.02464	0.6
121.02968	2.8
122.03739	7.2
123.04468	0.7
133.02994	0.5
136.01663	0.8
137.02431	4.8
137.06075	0.6
149.02420	18.6
149.06085	0.5
150.03212	52.0
151.03633	1.9
163.03966	0.5
164.04802	5.9
165.01907	26.0
165.05551	54.8
166.02304	1.0
166.05959	2.2
177.05551	0.5
179.03519	0.8
180.04274	24.1
181.04877	1.3
195.06602	100.0
196.06944	4.9
218.90489	0.5
241.45644	0.5
243.08704	3.5
267.10809	0.7
269.84848	0.5
273.07828	0.6
301.07071	2.9
301.10281	0.5
315.08771	1.0
316.09381	2.2
319.74313	0.5
331.11789	8.1
332.11990	0.6
391.08850	0.9
391.13962	15.7
392.14249	1.7
403.12445	0.8
439.16306	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	439.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.8
61.98816	2.1
64.62181	0.5
69.70232	0.9
69.70640	2.2
71.01371	1.4
76.86490	0.5
85.02950	0.5
89.02424	0.6
93.03458	2.1
95.01398	0.8
96.96004	6.9
101.02409	0.6
110.02463	0.7
121.02937	2.5
122.03725	6.4
129.11635	0.4
133.02927	0.6
135.04533	0.6
136.01678	0.9
137.02432	4.3
137.06087	1.0
137.50089	0.4
143.07204	0.4
149.02438	19.4
150.03221	54.0
151.03790	1.8
152.01343	0.4
153.05562	0.9
164.04802	4.9
165.01923	26.0
165.05560	52.1
166.02228	0.9
166.05962	2.3
179.03560	0.9
180.04272	24.6
181.04845	1.4
194.05487	0.5
195.06613	100.0
196.06950	4.3
213.36986	0.5
243.08688	3.7
301.07126	2.4
301.10236	0.6
308.15390	0.5
316.09436	1.3
331.11819	8.9
332.11972	0.7
391.08850	0.9
391.13940	16.2
392.14297	1.7
403.12524	0.9
439.16330	5.8
440.16400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
59.01378	33.0
60.01711	0.4
61.98827	100.0
69.81351	2.2
71.01372	2.4
72.76025	0.4
73.02960	1.0
82.42801	0.4
85.02964	1.0
89.02446	0.5
97.72971	0.4
101.02460	1.1
109.20062	0.4
113.02444	0.7
161.04565	1.6
186.90614	0.4
217.91141	0.4
255.23726	0.4
270.41977	0.5
273.82117	0.4
289.16516	2.1
295.42902	0.4
302.82602	0.4
307.40091	0.4
316.61276	0.4
331.17783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.7
60.89255	0.4
61.98826	100.0
69.91096	2.4
70.67522	0.4
71.01372	2.0
73.02959	2.2
74.77031	0.5
76.96648	0.5
84.10874	0.5
89.02456	1.4
95.01317	0.4
98.19718	0.5
101.02435	2.9
104.41365	0.5
113.02464	0.8
136.14584	0.5
161.04579	1.1
437.61743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
61.98819	0.8
66.97922	0.2
70.91039	0.6
71.01373	0.4
77.29998	0.2
78.95897	10.6
79.95721	1.9
96.96007	100.0
96.96928	21.5
103.86600	0.3
151.03964	0.3
159.03102	0.3
278.64523	0.3
439.08798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37782	0.3
59.01368	0.4
63.25931	0.3
69.78667	1.3
71.01373	0.6
78.95898	42.4
78.99199	0.3
79.95736	0.6
87.00883	0.4
96.95999	42.8
96.96944	100.0
98.02460	0.3
104.59386	0.4
106.73238	0.3
112.98806	0.4
142.99837	0.4
233.04657	0.3
275.55707	0.3
321.25290	0.3
439.08786	3.1
439.14264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46235	6.0
59.01363	12.1
61.98824	45.2
71.54537	12.9
78.95888	8.3
94.02027	6.1
96.96003	100.0
122.02449	76.7
137.02425	7.7
150.03235	6.5
165.05579	13.0
195.06564	16.8
241.96405	6.2
242.17584	5.5
325.82623	6.4
402.13901	7.7
438.11664	31.0
439.16763	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	438.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
61.98828	100.0
70.37544	0.3
71.54769	0.4
75.36748	0.4
78.95908	1.3
79.95753	0.6
83.54733	0.4
86.40293	0.4
92.84665	0.4
93.40311	0.4
96.96008	23.9
96.96925	2.9
109.33587	0.4
111.29166	0.4
116.01377	0.4
122.02379	0.5
199.99275	0.5
291.76584	0.4
303.25754	0.4
306.04593	0.4
331.32172	0.4
439.08939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01694	1.2
61.98809	3.8
65.43758	1.0
71.01379	24.2
71.56255	1.2
73.02946	22.8
75.58568	0.9
75.89262	1.0
83.01386	7.9
85.02949	3.0
87.00872	1.2
89.02449	9.2
96.95984	1.6
101.02442	26.1
103.14799	1.0
103.47961	1.1
110.15473	1.0
113.02424	8.6
117.03453	5.0
119.03487	4.3
121.02912	1.1
131.03481	4.1
140.05257	0.9
143.03458	2.5
149.04501	5.1
161.04547	5.6
203.05606	1.9
236.90952	1.0
249.38405	1.0
341.56787	1.0
352.11697	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	437.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98828	17.9
62.32478	2.1
70.45731	7.5
71.01384	6.5
73.02948	3.3
75.00883	1.8
78.95943	1.9
79.35670	1.7
83.01343	2.9
85.02961	2.7
89.02395	1.8
96.96035	3.2
101.02431	3.9
107.66520	1.9
113.02446	2.4
118.02440	1.8
161.04451	2.2
240.43979	2.1
308.02402	2.0
335.20648	4.2
381.27771	2.2
391.56107	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.1
57.03429	1.0
59.01376	92.3
66.17093	0.8
71.01373	4.4
73.02932	1.2
75.00876	5.2
79.37348	0.8
82.81363	0.8
85.02939	3.7
88.98722	0.9
89.02432	2.2
96.95992	3.1
97.06601	1.3
99.04478	2.6
101.02415	2.1
109.06642	0.9
119.29270	0.9
129.01941	1.3
132.91846	0.8
140.39429	0.8
147.02982	8.5
165.04036	8.7
165.12787	1.4
207.13824	3.3
209.11829	8.7
225.14951	6.3
227.12874	47.6
228.13177	3.1
251.12836	1.7
253.05066	1.1
269.13931	10.7
287.14978	100.0
288.15332	6.4
407.78629	1.0
435.18567	72.0
435.29010	2.0
436.18954	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	435.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	13.7
59.01376	100.0
61.57687	8.2
61.98811	35.5
62.04029	8.4
62.62458	8.2
67.69212	9.0
70.10659	35.6
70.11010	7.7
71.01379	16.4
77.55852	7.5
78.78948	7.9
89.02440	11.0
99.04529	18.0
101.02438	11.7
275.50681	8.7
296.21030	7.7
435.23297	8.0
435.29404	18.7
448.99646	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	435.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88092	8.0
57.03461	9.1
59.01379	100.0
61.98834	28.6
69.69064	26.8
69.69484	29.5
71.01364	15.4
97.56019	8.4
101.02386	12.9
237.26653	10.2
253.04991	11.4
334.55615	9.8
435.03189	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	436.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29768	0.2
59.01366	0.9
61.92181	0.3
61.98817	0.7
69.44695	1.8
77.03011	0.2
105.68826	0.3
108.02160	2.4
121.02922	2.4
122.03779	1.7
123.04520	11.8
124.01691	0.4
124.04869	0.4
133.01703	0.5
134.02472	6.7
135.03250	1.6
135.04512	2.8
137.02432	0.4
145.02943	0.9
146.02266	0.3
147.03261	0.6
148.04042	3.0
149.04829	2.1
150.05592	38.9
151.02744	1.8
151.05922	1.0
160.04010	0.5
162.05594	100.0
163.05923	3.8
164.07140	4.2
166.05080	13.4
167.05368	0.5
176.03534	0.6
227.03331	0.6
241.05150	0.4
242.05814	0.5
244.57443	0.3
254.05844	1.0
257.08231	1.0
267.05356	0.7
269.08099	2.2
282.07751	0.5
286.10831	20.8
287.11224	1.4
299.07980	0.6
300.08743	19.3
301.09119	1.7
312.08652	1.4
356.15521	0.3
389.87112	0.3
436.14008	9.7
437.14264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68120	1.0
56.41217	1.1
58.00585	2.0
59.01381	8.0
59.98923	1.1
61.98818	3.7
65.92806	1.0
71.01382	7.5
71.56638	1.7
73.02930	2.4
83.01369	1.2
84.04538	2.1
85.02953	1.4
87.00864	4.0
89.02435	1.8
92.92805	1.3
93.03443	3.0
96.96008	18.8
101.02433	2.9
107.53055	1.0
108.02154	1.5
109.02943	1.3
113.02450	3.2
121.02958	1.6
122.03667	1.2
127.05120	2.8
129.01950	1.2
137.02422	5.4
145.02922	2.2
147.04414	1.3
149.01286	1.5
149.02449	29.2
150.03232	44.2
152.14200	1.1
159.93300	1.1
161.02461	2.2
161.04536	4.6
161.43770	1.0
162.03166	4.5
163.04053	1.1
164.03494	1.5
164.04805	18.8
165.05565	100.0
166.05913	5.5
169.06155	4.2
171.07724	1.1
177.05582	1.7
180.04242	4.6
185.02684	1.9
186.03102	1.9
195.06619	36.5
196.06958	1.4
225.63452	1.1
255.06650	1.7
327.10828	27.4
328.10974	1.5
353.13849	1.1
357.11606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1294
Annotation	Epiafzelechin 5-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.98838	0.8
59.01102	1.1
59.01379	13.7
61.98831	6.5
66.66247	0.8
71.01392	4.1
71.58389	1.1
72.99283	0.9
73.02951	1.4
79.05516	1.1
81.03458	1.4
81.45760	0.7
85.02950	1.2
85.04081	0.8
89.02424	2.0
93.03457	5.1
95.05025	2.5
96.95995	1.1
97.02949	1.0
101.02442	2.3
108.02213	0.8
109.02938	12.5
109.06570	0.9
113.02421	1.4
119.05022	1.0
121.02952	27.3
122.03699	2.2
122.28142	0.7
123.00871	0.9
123.04521	20.8
124.04808	1.0
125.02441	2.1
127.07642	1.1
128.03557	2.3
129.60735	0.8
133.02945	5.0
134.03729	1.7
135.04521	3.3
137.02460	6.1
138.02904	0.8
139.03992	2.3
145.02921	1.0
148.01663	45.2
149.02434	82.3
150.02832	3.1
151.00397	1.7
157.06178	1.4
161.02477	1.8
161.04585	1.2
162.03253	1.7
163.03990	7.5
165.01933	5.8
166.02599	1.5
167.03482	33.4
168.03821	1.5
169.01465	0.9
190.02730	1.1
191.03523	1.2
193.01363	1.9
197.48242	0.8
209.04501	1.8
211.02440	5.0
220.03699	0.9
221.04625	0.9
227.07069	9.3
228.07796	0.8
229.08662	0.9
237.05501	1.9
240.04294	1.8
243.06580	6.9
255.06606	100.0
256.06955	7.7
272.05969	1.5
273.07669	57.6
274.08102	3.6
297.07709	0.9
315.08646	5.3
320.09167	5.0
345.09772	1.7
391.11243	1.0
405.11993	1.0
435.12921	7.0
435.18097	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.9
58.02963	1.8
59.01379	26.1
61.98829	2.0
69.36640	9.0
69.37056	3.1
70.46053	1.4
71.01365	12.3
72.00889	3.4
72.99294	1.4
73.02940	19.7
74.02460	5.1
83.01377	3.4
84.04543	48.5
85.02950	1.9
86.02518	1.5
89.02431	4.2
92.92797	5.6
96.96008	8.6
101.02436	11.7
113.02440	3.2
123.04525	1.8
125.07171	1.5
127.05128	69.6
128.05402	1.6
129.06691	16.0
135.02991	2.1
137.02454	3.5
149.02409	3.5
150.03233	3.8
153.01944	1.5
164.04782	2.2
165.05516	8.0
169.06177	100.0
170.06473	2.7
171.07739	16.1
265.18973	1.4
266.83139	1.4
327.10767	2.2
345.76184	1.5
349.12506	1.9
391.13565	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	435.1293
Annotation	Licoagroside F
Peak:m/z	Relative Intensity
59.01160	0.8
59.01377	9.5
61.98822	2.1
65.03953	4.0
67.01881	3.7
70.84428	1.3
70.84760	1.5
71.01367	3.2
73.82655	1.0
79.05520	3.1
81.03448	1.8
85.02946	1.6
89.02448	1.2
93.03449	3.0
101.02436	1.7
107.01427	1.2
107.04982	1.0
108.02168	1.7
109.02947	42.2
119.05007	3.1
121.02941	9.9
122.03772	5.1
123.00861	2.9
123.04527	14.5
124.04879	2.3
125.02322	1.0
133.02983	1.4
134.03749	2.5
135.00854	2.8
135.04453	2.4
136.01639	3.2
137.02446	17.0
137.57295	1.1
145.02898	1.4
148.01662	28.5
149.02435	34.5
153.01939	1.3
160.01718	2.0
161.02411	1.8
162.03169	1.3
163.04015	11.5
164.04308	1.5
165.01930	12.0
166.02669	3.6
167.03487	86.4
168.03781	3.4
169.12276	0.9
175.03990	3.5
193.01331	1.2
209.06009	1.6
226.06281	1.3
227.07127	12.2
229.08664	7.2
231.74301	1.0
255.06635	20.5
271.06064	1.1
273.07654	87.8
274.07980	6.0
292.61301	0.9
314.07388	1.0
315.07825	4.0
399.12781	4.5
417.11868	1.5
435.12915	100.0
436.13205	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	434.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01120	0.7
59.01371	4.8
61.98827	100.0
71.01359	0.7
71.04192	1.4
128.18086	0.5
129.43115	0.5
139.07686	2.4
240.99574	0.7
395.26025	0.7
434.10907	0.8
435.28577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00432	0.8
59.01102	1.0
59.01382	11.4
61.98817	2.0
71.28130	1.7
73.08344	0.7
77.26530	0.8
82.32758	0.8
96.96027	1.4
101.06094	0.9
132.78206	1.1
174.89311	0.9
189.82309	0.8
204.14659	0.9
232.10896	5.2
289.17908	1.7
290.18701	2.6
297.68130	0.9
316.16580	1.4
352.91666	1.1
365.00171	0.9
374.24457	100.0
375.21228	0.9
375.24930	10.2
434.06076	1.1
444.79742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01377	100.0
60.01715	0.9
61.98827	10.1
71.01370	2.3
71.56573	0.6
71.56983	0.4
73.02959	1.8
73.28798	0.4
81.03445	2.2
83.01392	0.7
85.02964	0.8
87.00877	0.6
87.86296	0.4
89.02448	1.6
89.93582	0.4
97.02969	0.8
99.04534	2.0
101.02419	2.9
102.90585	0.4
113.02480	1.3
119.03532	0.8
123.04514	1.4
125.02438	4.3
137.02489	0.6
139.03917	0.4
143.03482	0.8
149.04552	0.6
151.03897	0.4
161.04628	0.7
165.05516	0.5
167.03482	12.4
168.03745	0.5
179.03491	0.7
197.04556	2.9
283.05869	0.9
284.06476	1.4
285.06787	1.3
287.07672	1.3
311.05551	0.6
312.05963	1.0
313.06464	3.9
343.07690	1.6
373.22638	0.4
408.31473	0.5
418.31854	0.4
418.86737	0.5
426.21970	0.4
433.10565	4.6
433.15637	0.6
433.20587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96374	0.5
57.03439	2.3
59.01140	0.5
59.01381	5.3
62.17564	0.5
68.01392	0.6
69.63095	2.5
69.63503	0.7
71.01403	0.5
72.75237	0.5
79.00275	0.5
80.05058	4.7
92.05035	1.1
94.06625	6.4
95.03776	0.5
96.08182	2.1
97.01685	2.5
98.06081	0.6
98.19984	0.9
98.88008	0.5
99.04525	1.8
104.05058	2.0
106.02963	1.0
106.06612	2.2
108.04547	1.7
109.01704	0.6
109.02959	0.7
109.05345	2.4
120.04538	6.7
121.05315	2.1
122.06116	21.9
123.04489	0.7
124.04077	1.1
124.07676	30.3
125.07980	0.8
136.04037	6.5
136.07683	0.8
138.05629	1.4
140.07199	2.7
148.04039	46.1
149.04605	0.9
150.05585	19.9
152.03548	0.9
152.07162	1.0
164.07201	0.7
166.05087	11.4
168.06664	4.1
178.12332	0.7
183.54564	0.5
188.34448	0.5
194.04539	2.1
196.05048	0.5
199.12373	0.8
210.04088	3.2
210.07637	0.5
213.06767	0.6
214.18997	0.5
215.11855	1.1
227.11923	0.5
228.08945	0.9
229.13431	1.7
231.11360	3.6
243.11337	3.3
245.12877	0.7
255.11363	1.9
259.10919	0.7
273.12421	26.9
274.12515	1.0
275.10559	0.7
285.06601	0.6
289.16315	0.6
290.12689	0.9
291.13480	23.8
292.13803	1.3
313.06201	0.8
314.55078	0.5
317.11362	10.9
318.11795	0.8
334.12054	1.3
335.12460	100.0
336.12714	7.9
343.66635	0.5
389.20844	1.6
433.10342	1.1
433.19766	10.5
434.19781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34229	0.5
59.01385	2.1
64.15847	0.5
69.28670	4.2
80.05054	6.1
92.05071	1.3
93.89046	0.4
94.02927	0.5
94.06058	0.9
94.06620	8.5
94.07174	0.8
94.12170	0.5
95.03778	1.2
96.00889	0.6
96.08167	2.9
97.01644	2.5
98.06116	0.8
98.20681	1.1
100.04047	0.6
104.05070	2.1
106.02974	1.4
106.06641	3.5
108.04555	2.6
109.01699	1.1
109.02957	1.6
109.05334	2.9
110.06166	0.9
113.41193	0.5
120.04546	7.4
120.86717	0.5
121.05366	2.5
122.06116	30.9
123.03242	0.6
123.04491	0.8
124.04031	1.4
124.07674	36.0
125.08023	1.0
134.45924	0.5
136.04034	10.5
136.07608	1.0
138.05605	2.1
140.07162	3.0
148.04041	60.3
149.04492	2.3
150.05595	23.7
151.05954	1.1
152.03490	0.8
152.07176	1.4
161.07220	0.5
164.07159	0.8
166.05078	16.2
168.06630	4.2
178.12340	1.1
189.07927	0.5
194.04654	3.2
210.04108	2.4
210.07841	0.8
213.06694	1.1
214.19881	0.5
215.08322	1.4
215.11934	1.5
225.10176	0.5
226.07335	0.7
228.08977	1.9
229.13426	1.5
231.11348	6.2
241.09828	2.2
243.11473	3.4
244.08549	0.6
245.09148	0.6
245.12984	1.0
255.11429	2.4
273.12430	32.3
274.12772	2.2
275.10251	0.8
290.12650	0.8
291.13483	35.3
292.13907	2.4
317.11371	10.6
318.11719	0.8
334.11801	2.4
335.12463	100.0
336.12766	8.9
389.16022	0.6
389.20862	8.0
416.51608	0.6
433.10748	0.9
433.19739	20.0
434.20007	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	433.1137
Annotation	2',4',6',beta-Tetrahydroxychalcone 4'-glucoside
Peak:m/z	Relative Intensity
57.03448	2.7
59.01377	46.9
60.01715	0.6
61.98837	2.4
69.03445	0.6
69.41016	3.6
71.01382	3.0
71.05016	0.8
73.02958	0.7
81.03451	14.5
81.98582	0.5
83.01371	3.2
85.02985	0.8
89.02430	2.0
93.03441	1.0
95.01371	0.8
95.05027	5.8
96.96007	0.5
97.02962	4.2
99.03896	1.0
99.04514	11.9
99.05170	0.8
101.02431	1.9
105.03443	0.9
109.02917	0.5
111.04504	1.0
113.02431	2.1
119.03531	0.8
121.02952	0.7
123.04519	5.9
124.01701	0.7
125.02444	33.6
126.02745	1.2
135.04475	0.5
137.02423	4.2
139.04001	2.9
145.02939	1.1
149.02428	0.9
151.04039	1.4
161.04523	0.9
163.04021	0.6
165.01987	0.8
165.05556	0.6
167.03487	100.0
168.03795	3.5
179.03455	2.6
197.04532	20.1
198.05057	0.6
209.04520	0.9
241.05116	0.8
269.06604	1.4
271.06143	2.5
285.23215	0.5
287.07669	8.2
288.07996	0.8
301.07224	0.8
311.05872	0.6
312.06137	0.6
313.07144	15.9
314.07498	1.6
325.06924	1.0
343.08206	4.0
433.11038	5.6
433.24603	0.8
434.11664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1137
Annotation	Lecontin
Peak:m/z	Relative Intensity
56.25652	0.7
59.01383	4.5
61.98818	1.5
65.03974	3.7
66.04766	0.8
67.01881	1.6
69.40544	6.0
71.01393	1.2
79.53260	0.7
80.46631	0.7
91.01893	2.4
93.03423	1.8
107.04998	0.9
108.02173	4.1
109.02944	47.0
110.03268	1.3
121.02963	5.3
123.00865	4.2
123.04521	2.4
133.02928	4.7
134.03683	1.2
135.00877	9.8
135.04539	0.8
136.01668	2.2
137.02409	2.7
145.03003	0.8
148.01643	2.5
149.02423	6.6
153.01930	1.8
161.02409	3.7
163.00377	7.0
183.04417	1.1
183.08176	1.0
195.04388	1.7
196.05234	3.3
197.06003	2.1
199.07626	1.7
211.04019	2.1
225.05563	4.3
227.03587	0.9
227.07149	4.9
239.03534	1.0
240.04271	33.7
241.05029	21.0
242.05589	1.8
243.06601	73.8
244.06950	3.3
251.03294	1.0
252.04205	5.6
253.05054	10.2
254.05461	0.9
255.02937	2.2
256.03751	1.9
270.05127	0.9
271.06100	100.0
272.06439	7.4
325.66602	0.7
403.10303	16.2
404.10571	2.1
415.10471	1.1
433.11523	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	432.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05411	0.9
59.01382	6.7
59.15274	1.1
61.98827	100.0
68.93011	1.0
74.28782	0.9
77.87009	1.0
78.95901	7.5
89.94132	1.0
117.03487	3.8
118.03805	2.3
119.05045	2.0
145.02942	8.3
146.03278	3.6
152.99567	14.5
153.99937	2.4
163.04037	2.2
166.65491	1.3
170.87117	1.0
178.80719	1.0
194.49884	1.0
240.54762	1.0
270.04752	1.5
282.05072	1.8
283.05887	5.2
284.06427	11.2
286.21259	1.2
311.05612	4.3
312.05936	16.3
312.09268	1.8
324.06052	1.4
338.22198	2.5
341.06534	1.8
342.06964	6.1
342.10696	0.9
432.10196	13.1
432.24371	4.5
453.14978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.8
61.01799	1.5
61.98830	100.0
69.21760	10.0
81.35532	1.0
97.45634	0.9
98.20612	2.1
117.03484	2.7
118.03799	2.2
119.05000	2.2
120.05328	1.6
127.46419	1.0
142.12065	1.1
145.02954	8.9
146.03297	3.8
163.03987	2.9
231.01820	1.0
261.20468	1.1
269.04205	1.3
270.04630	1.5
282.05121	1.8
283.05927	3.4
284.06448	9.6
311.05551	3.3
312.05972	16.9
324.05865	1.8
342.06924	7.2
414.09344	1.2
432.10208	14.6
432.24725	5.6
433.10532	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	433.1136
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
59.01376	22.0
61.98812	1.9
65.00307	4.8
68.99790	1.1
69.03457	1.1
71.01381	7.4
71.55488	1.4
75.00863	1.3
81.03461	3.0
83.01396	3.0
85.02930	4.5
89.02447	6.9
91.56193	0.8
93.03469	6.4
95.01383	2.0
95.04972	1.0
96.96030	5.5
97.02943	4.2
101.02425	4.2
102.32129	0.8
105.03436	2.1
107.01380	4.6
113.02442	3.1
119.03528	2.3
119.05021	36.4
120.05363	1.4
121.02958	6.2
122.02479	1.0
123.00922	1.0
123.04521	12.6
125.02422	12.8
137.02437	2.7
143.05016	2.2
145.02939	2.7
149.02452	6.0
151.00397	11.7
151.04036	1.2
161.06023	1.0
163.00330	5.5
163.03995	2.1
165.01917	9.4
165.04036	1.8
167.03564	4.3
177.01929	3.0
179.05634	0.9
185.05997	1.7
187.03973	2.9
191.03665	2.1
193.01402	26.2
194.32138	0.8
199.07545	1.1
205.01370	1.4
207.02957	1.8
219.03014	3.0
223.02463	3.0
226.06281	1.2
227.07024	1.9
229.05057	1.1
241.08553	1.1
248.45154	0.9
249.78423	0.9
253.04958	1.0
253.14410	4.1
254.14763	1.0
271.06097	12.1
283.06033	2.9
285.13318	1.9
313.07153	100.0
314.07483	8.3
325.07169	2.6
329.05301	0.9
343.08173	26.2
344.08484	3.2
355.08081	1.7
415.10303	2.1
433.11401	25.4
433.16098	0.9
433.20679	6.4
434.11566	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	432.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68896	0.4
57.03445	0.4
58.96379	0.4
59.01376	36.9
60.01696	0.4
61.98827	100.0
62.29851	0.4
64.40733	0.4
64.91605	0.3
69.62205	2.2
71.01381	3.9
73.02943	6.7
81.03458	1.8
83.01392	1.6
85.02940	0.5
88.56650	0.4
89.02422	2.0
92.56481	0.4
95.05070	0.4
97.02956	0.8
99.04507	1.1
101.02436	6.7
113.02437	2.3
117.03443	0.5
119.03521	0.9
125.02422	3.8
131.03540	1.1
137.02467	0.5
143.03494	0.9
146.98074	0.4
149.04546	1.3
161.04533	2.1
167.03491	7.9
167.06235	0.3
197.04599	1.7
221.06744	0.6
270.04987	0.4
275.22409	0.4
283.06165	1.6
284.06442	3.6
287.07736	0.8
302.62454	0.4
311.05728	1.6
312.05948	7.5
312.09305	0.7
313.06943	1.0
324.05994	0.8
342.07001	2.5
343.08179	0.5
413.91794	0.4
432.10217	5.2
433.10818	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	432.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22690	0.4
56.49531	0.3
59.01369	1.0
61.98827	100.0
69.83069	2.2
88.40346	0.3
89.89285	0.3
96.96038	1.0
163.69229	0.4
282.05045	0.4
283.06122	1.1
284.06476	2.4
311.05713	0.9
312.06015	3.7
342.07178	1.4
369.13565	0.5
432.10156	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	432.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.2
58.03777	1.1
58.14616	0.3
59.01378	9.3
60.01737	0.4
61.98816	1.3
70.88317	0.6
70.88635	0.5
71.01367	1.3
78.03484	2.7
85.02979	0.4
96.96015	0.9
98.13767	0.4
99.04509	5.3
100.04845	1.1
101.02431	1.1
109.02952	0.5
115.20243	0.4
122.02475	100.0
123.02821	2.0
124.12972	0.4
125.02456	2.2
126.02773	1.1
128.03554	0.6
136.04018	0.7
150.03189	1.6
151.03604	0.8
153.05603	0.5
161.02411	0.5
161.04512	0.5
164.03528	0.5
165.05519	2.7
166.05943	2.3
213.07593	0.6
240.04305	0.8
241.05025	1.1
243.06763	0.7
253.05069	0.7
270.04929	0.9
271.06073	1.1
284.06601	0.4
312.05914	1.0
346.11139	0.6
372.13007	1.0
432.10223	1.0
432.15729	1.1
433.12598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40117	0.5
59.01378	50.0
61.98822	2.1
65.00346	0.6
65.20562	0.5
66.55755	0.4
66.84120	0.4
69.91254	2.7
70.38735	0.5
70.63650	0.4
71.01366	3.4
73.02940	0.9
74.58792	0.4
77.03969	2.8
79.01881	1.8
83.01378	0.7
85.02946	1.6
87.57825	0.5
88.71712	0.5
89.02466	2.3
93.03463	2.5
95.01374	0.7
98.20646	0.6
101.02432	2.1
105.03429	1.0
113.02445	1.6
117.03467	13.0
119.03490	1.2
119.05023	1.0
121.02943	2.7
123.04639	0.5
130.73257	0.4
134.08740	0.4
135.04541	2.9
138.49539	0.5
145.03020	0.5
147.04585	0.7
149.02426	2.0
151.00334	0.5
158.28304	0.5
159.04488	2.2
161.02464	5.0
161.04535	1.0
162.40742	0.6
163.00363	1.4
163.04001	3.3
165.01906	2.0
171.04488	0.6
175.03972	0.6
177.01857	0.6
179.03557	0.7
179.05550	0.6
183.04498	1.6
183.08109	1.0
184.98157	0.6
191.03551	1.1
196.05252	0.6
197.06020	1.6
203.03453	1.0
210.06966	0.7
211.07550	1.6
215.07053	0.8
221.25235	0.6
223.04198	0.6
224.04729	1.4
225.05385	0.8
227.07181	1.0
237.05530	1.1
239.03468	1.5
239.07193	3.0
240.04185	0.7
241.05142	0.6
241.31950	0.5
249.06155	0.6
253.05070	1.0
267.03241	1.0
267.06851	0.6
268.03754	8.8
269.04520	12.7
270.04996	0.6
272.35617	0.6
281.04544	8.5
282.05267	5.0
283.06094	59.5
284.06445	3.8
293.04358	2.4
295.06052	5.6
308.03268	0.8
309.03812	1.1
311.05591	100.0
312.05920	5.6
314.04303	1.5
323.05533	8.6
325.07104	0.5
341.06616	24.5
342.06918	2.3
353.06668	1.3
383.07629	0.6
384.62753	0.6
389.21545	0.9
413.08807	2.0
431.09787	74.5
432.10071	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	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40117	0.5
59.01378	50.0
61.98822	2.1
65.00346	0.6
65.20562	0.5
66.55755	0.4
66.84120	0.4
69.91254	2.7
70.38735	0.5
70.63650	0.4
71.01366	3.4
73.02940	0.9
74.58792	0.4
77.03969	2.8
79.01881	1.8
83.01378	0.7
85.02946	1.6
87.57825	0.5
88.71712	0.5
89.02466	2.3
93.03463	2.5
95.01374	0.7
98.20646	0.6
101.02432	2.1
105.03429	1.0
113.02445	1.6
117.03467	13.0
119.03490	1.2
119.05023	1.0
121.02943	2.7
123.04639	0.5
130.73257	0.4
134.08740	0.4
135.04541	2.9
138.49539	0.5
145.03020	0.5
147.04585	0.7
149.02426	2.0
151.00334	0.5
158.28304	0.5
159.04488	2.2
161.02464	5.0
161.04535	1.0
162.40742	0.6
163.00363	1.4
163.04001	3.3
165.01906	2.0
171.04488	0.6
175.03972	0.6
177.01857	0.6
179.03557	0.7
179.05550	0.6
183.04498	1.6
183.08109	1.0
184.98157	0.6
191.03551	1.1
196.05252	0.6
197.06020	1.6
203.03453	1.0
210.06966	0.7
211.07550	1.6
215.07053	0.8
221.25235	0.6
223.04198	0.6
224.04729	1.4
225.05385	0.8
227.07181	1.0
237.05530	1.1
239.03468	1.5
239.07193	3.0
240.04185	0.7
241.05142	0.6
241.31950	0.5
249.06155	0.6
253.05070	1.0
267.03241	1.0
267.06851	0.6
268.03754	8.8
269.04520	12.7
270.04996	0.6
272.35617	0.6
281.04544	8.5
282.05267	5.0
283.06094	59.5
284.06445	3.8
293.04358	2.4
295.06052	5.6
308.03268	0.8
309.03812	1.1
311.05591	100.0
312.05920	5.6
314.04303	1.5
323.05533	8.6
325.07104	0.5
341.06616	24.5
342.06918	2.3
353.06668	1.3
383.07629	0.6
384.62753	0.6
389.21545	0.9
413.08807	2.0
431.09787	74.5
432.10071	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	431.22
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
52.20553	0.2
59.01365	1.0
59.91276	0.2
62.96379	0.2
65.24642	0.2
67.19374	0.2
70.22619	0.9
71.56077	0.3
78.95900	55.8
84.06840	0.2
93.03447	0.3
96.96957	7.4
106.66080	0.2
117.03463	0.6
150.98019	1.8
152.99577	100.0
153.99924	1.4
161.02483	0.3
166.25182	0.2
171.00630	5.1
263.20078	0.3
269.04462	0.4
277.21689	0.8
281.04364	0.5
282.05252	0.6
283.06131	3.9
295.05991	0.4
311.05609	6.1
312.06091	0.3
323.05518	0.6
323.72971	0.2
341.06595	2.0
431.09796	4.1
431.21957	7.7
432.09943	0.3
432.22287	0.8
453.74466	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02733	0.3
54.05977	0.3
54.52187	0.3
55.01880	0.9
56.66330	0.3
57.03448	0.7
57.58902	0.3
58.00599	0.4
59.01379	100.0
60.01733	0.9
61.98836	0.4
62.29772	0.3
68.92673	0.3
69.03461	0.6
70.27084	0.3
70.36955	0.4
70.37292	1.0
71.01380	12.6
72.99301	0.7
73.02945	14.2
77.03977	0.6
79.01895	0.4
83.01377	4.1
85.02948	2.9
87.00889	1.1
89.02438	4.5
93.03488	0.7
95.01369	0.8
97.02961	0.3
98.16631	0.3
99.00861	0.7
99.04518	1.2
101.02438	13.8
105.03458	0.4
111.08169	1.0
113.02445	6.0
117.03456	2.3
119.03506	2.1
121.03000	0.7
125.02428	0.7
130.79613	0.3
131.03476	0.7
135.04556	0.4
143.03537	1.6
149.04549	1.1
153.09210	4.2
153.11243	0.3
155.03531	0.6
155.10774	0.6
159.04549	0.8
161.02409	1.3
161.04539	5.1
163.03983	0.7
165.01929	0.5
165.12825	0.8
179.05554	0.7
182.03555	0.4
191.14378	0.9
207.13872	0.5
209.11917	1.5
209.15471	3.9
210.15736	0.4
211.79021	0.3
221.06598	0.6
225.14835	0.3
227.16426	0.5
239.07263	0.4
253.05115	0.3
257.68790	0.3
268.03882	0.6
269.04535	1.9
269.13953	4.9
270.14270	0.4
281.04532	2.0
282.05276	1.1
283.06119	12.3
284.03326	0.6
284.06192	0.7
293.04703	0.4
295.06049	1.2
299.05499	0.8
311.05615	20.3
312.05841	1.6
323.05676	1.6
341.06668	6.1
342.06812	0.7
353.06949	0.4
371.20877	2.8
372.20883	0.3
389.21741	1.2
413.08698	0.6
414.45514	0.4
431.09793	12.3
431.22739	1.0
432.10095	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77211	0.4
54.02775	0.4
57.03444	2.0
57.50695	0.4
59.01377	49.8
61.78143	0.5
61.97038	0.5
69.03456	1.6
69.39817	1.2
69.40242	1.9
71.01383	6.2
73.02944	13.3
74.70990	0.4
75.00899	0.6
81.03487	0.5
81.19061	0.4
83.01382	11.7
83.05004	0.6
83.31605	0.4
85.02948	1.8
85.99459	0.4
87.00854	0.5
89.02451	1.3
94.55201	0.4
95.01391	0.7
99.04511	17.2
100.04846	0.6
101.02444	9.1
109.06588	1.1
111.04510	0.7
113.02451	5.3
117.03477	0.5
119.03512	1.0
121.06570	0.8
125.02448	0.6
131.03497	0.9
143.03473	0.9
157.63710	0.5
161.04565	1.6
163.07593	1.0
165.12822	4.7
171.11676	0.6
181.38011	0.5
189.12807	3.7
207.13878	11.1
208.14291	1.4
209.11813	36.6
210.12148	2.3
225.14920	6.4
231.13889	0.9
233.11913	0.7
251.12880	8.9
253.04993	0.5
257.06323	0.5
267.16080	0.9
269.13916	100.0
270.14230	8.3
275.12912	3.9
283.06201	2.9
293.14099	0.8
311.05652	5.1
311.09137	0.7
311.14975	6.5
323.05679	0.8
341.06726	1.1
341.15936	3.6
353.15793	0.6
371.17023	11.2
372.17441	0.6
413.17862	0.6
431.10358	3.7
431.19174	24.2
432.19275	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	431.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
58.00593	0.3
58.18159	0.2
58.78009	0.2
59.01376	14.4
60.99402	0.2
61.98818	0.4
69.03467	0.3
70.93053	0.5
71.01376	4.8
72.35724	0.2
72.99300	0.3
73.02941	5.0
77.03945	0.3
78.26154	0.2
81.03419	0.2
82.44691	0.2
83.01384	1.0
83.05046	0.3
85.02938	1.7
89.02419	1.1
95.01391	0.6
97.02954	0.4
97.06607	0.6
99.00868	0.3
99.04538	0.2
101.02436	4.6
109.06519	0.2
111.08159	1.6
113.02444	3.8
117.03448	0.8
119.03489	0.5
125.02456	0.5
131.03485	0.6
143.03514	1.4
149.04561	0.5
155.03551	0.3
161.02455	0.5
161.04468	1.1
163.04024	0.3
163.11180	0.2
165.12833	22.8
166.13121	1.4
167.14391	0.6
179.14304	0.2
181.12462	0.3
183.13884	75.0
184.14235	3.5
191.10867	0.3
195.14012	0.5
197.15466	2.6
198.15817	0.2
203.05544	0.5
207.13860	1.9
209.11824	4.0
210.12241	0.3
221.06508	0.3
225.15010	1.7
227.12868	100.0
228.13177	5.7
241.14389	0.3
241.62793	0.3
251.12865	2.8
263.12921	0.3
269.04480	0.9
269.13898	2.4
281.04626	0.8
281.13452	0.3
282.05240	0.5
283.06085	5.3
284.06415	0.4
293.13855	0.6
295.06171	0.5
311.05563	9.3
312.05936	0.5
323.05557	0.5
341.06635	2.7
371.20761	0.4
431.09869	5.7
431.19049	4.6
432.10095	0.7
432.19864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95821	0.3
57.03443	5.7
59.01375	100.0
59.53844	0.3
60.01714	1.1
61.98817	1.3
64.96173	0.3
69.03397	0.3
71.01382	2.4
71.56412	0.7
73.02946	1.0
74.97260	0.3
82.09978	0.3
83.58350	0.3
85.02950	0.7
87.00888	0.5
88.98806	0.7
89.02438	1.2
90.38945	0.4
93.03455	2.6
96.42785	0.3
96.96015	1.1
97.02952	1.2
99.04514	3.9
101.02438	2.6
109.02948	0.7
113.02424	1.2
117.03427	0.7
121.02962	0.6
125.01522	0.5
125.02442	7.3
131.02200	0.3
137.02444	4.8
143.03523	0.3
145.11862	0.4
151.04002	0.7
153.01923	0.7
158.68037	0.3
161.02435	3.5
161.04533	0.9
176.04768	2.1
179.03485	5.2
181.05136	0.4
191.07130	0.8
194.05820	6.3
196.62300	0.3
209.08171	18.1
210.08591	0.7
239.03503	0.5
240.04280	0.4
267.02988	0.9
268.03726	5.8
269.04504	2.2
269.07230	0.4
269.10309	0.5
281.04517	0.6
281.56714	0.3
283.06052	4.2
285.10626	0.7
311.05573	5.6
311.11200	0.7
312.06061	0.6
323.05499	0.6
341.06720	1.8
398.94730	0.4
431.09854	10.7
431.15298	0.7
432.10077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43253	0.4
59.01377	100.0
59.48878	0.5
60.01717	0.6
62.14009	0.5
69.82327	1.2
69.82735	1.5
71.01372	0.5
73.02940	0.6
98.19978	0.9
101.02465	0.5
184.58499	0.5
246.39670	0.5
247.40533	0.5
283.06165	1.4
311.05637	2.8
316.29095	0.4
341.06671	0.6
431.09799	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	431.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85305	0.3
58.85597	0.3
59.01376	100.0
60.01726	0.8
61.01793	0.3
61.98837	0.6
66.38319	0.3
67.44320	0.3
69.25986	0.9
69.26406	2.1
71.01385	2.1
73.02956	1.1
83.01409	0.4
85.02975	0.8
89.02438	1.4
96.01428	0.3
96.96039	0.7
101.02422	1.6
109.02973	0.9
110.03259	0.4
113.02462	1.3
117.03443	0.3
119.03532	0.5
125.02426	0.3
149.02406	0.3
153.01917	0.6
161.04602	0.5
165.09235	0.5
174.26173	0.3
189.72375	0.3
246.57471	0.3
249.06178	0.3
269.04907	0.3
283.06180	1.4
311.05545	1.9
389.22073	0.9
431.09851	1.8
431.15405	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
57.03447	2.0
58.00607	0.7
59.01375	100.0
60.01702	1.6
61.98824	2.6
65.03953	1.8
66.67194	0.6
69.40533	5.8
71.01379	20.7
72.99331	0.8
73.02943	16.7
75.00843	0.8
75.93641	0.7
83.01391	6.0
85.02940	5.9
87.00886	2.0
88.98789	1.1
89.02441	16.7
94.77399	0.7
95.01396	2.0
96.95998	1.8
97.02949	0.9
101.02443	17.3
104.91577	0.7
109.02951	15.0
110.03314	0.9
111.00874	0.9
113.02447	11.4
119.03465	3.9
121.02983	0.9
125.02473	1.6
131.03601	1.0
133.05095	1.7
134.03755	7.4
135.00877	1.9
135.04539	0.9
143.03532	1.3
149.02571	0.8
149.04817	1.5
149.06082	12.8
150.03317	0.9
151.64459	0.7
153.01941	21.5
153.09241	1.2
161.04555	5.1
163.03995	1.1
179.05615	1.7
181.05104	1.3
196.12340	0.8
199.60585	0.8
239.03525	1.1
241.05113	0.8
268.03757	4.2
269.04538	3.8
281.04611	1.5
282.05231	1.1
283.06055	7.4
295.06381	1.0
297.13113	0.8
311.05688	11.8
311.11307	19.5
312.11682	1.4
323.05701	1.5
329.12219	4.1
341.06644	3.7
371.13605	2.9
431.09595	11.4
432.11600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1191
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.79800	0.5
55.01862	0.7
57.03445	78.0
58.03798	1.0
59.01376	16.5
69.03455	3.5
70.15789	2.0
71.01370	6.3
73.02945	2.2
77.06841	0.7
81.03487	0.8
81.19898	0.6
83.01384	1.8
85.02935	2.1
89.02431	0.8
95.01379	2.1
96.73456	0.6
96.74054	0.7
97.02944	15.7
98.20013	0.6
99.04515	48.9
100.04830	1.1
101.02436	15.6
102.02761	0.9
113.02456	2.6
125.02440	100.0
126.02743	3.3
143.03500	1.4
147.98944	0.7
161.04533	5.6
164.03499	1.0
174.77652	0.7
179.03540	0.8
184.05104	0.6
185.44531	0.6
196.05193	0.6
203.05641	2.6
211.03947	1.3
239.03516	1.2
243.08759	1.0
267.03024	0.7
268.03723	7.7
269.04541	7.4
311.05637	3.4
311.11356	0.7
329.08835	1.0
341.06662	1.0
431.09644	8.3
432.10175	1.3
432.89871	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19803	0.5
52.88049	0.5
59.01361	1.2
64.78576	0.5
64.92498	0.5
69.25084	1.1
69.25502	3.7
75.81564	0.5
77.03958	2.7
79.01874	1.6
93.03437	2.2
93.45267	0.5
105.03466	0.8
117.03462	11.0
118.03741	0.7
119.05009	1.5
121.02950	2.8
129.99733	0.6
135.04509	3.0
149.02464	1.3
159.04512	2.2
161.02457	5.3
163.00383	0.9
163.03990	4.2
165.01915	1.6
174.83441	0.5
175.00270	0.7
175.03885	0.8
183.04485	0.8
183.08058	0.8
191.03552	1.0
195.04517	0.6
203.03445	1.1
207.53015	0.5
211.07719	1.0
237.05511	0.6
239.07124	1.8
253.04950	1.0
254.05588	0.7
268.03781	2.7
269.04514	5.1
281.04535	7.0
282.05307	4.5
283.06116	52.0
284.06473	5.5
293.04526	1.7
295.06015	3.2
296.06168	0.6
311.05588	100.0
312.05963	10.0
314.04346	1.3
323.05640	6.4
341.06631	20.6
342.06934	1.7
353.06631	1.4
413.08847	1.7
431.09793	83.1
432.10199	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	431.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34226	0.8
57.03446	68.5
58.03753	1.1
59.01377	37.4
61.98840	1.1
66.00024	0.8
69.03458	3.0
70.62967	0.9
71.01381	10.8
73.02948	5.1
78.50949	0.9
82.27241	0.8
83.01375	1.8
85.02945	4.8
85.09138	0.9
85.49014	0.9
88.98798	2.7
89.02412	4.3
95.01377	1.7
96.96027	1.1
97.02948	15.5
99.04514	48.5
101.02427	17.1
113.02454	4.8
117.03462	1.0
119.03529	1.7
119.05020	1.3
121.02996	1.4
123.04514	1.2
125.02443	100.0
126.02782	1.4
134.03748	1.4
135.00882	1.0
143.03503	1.1
149.06010	1.2
151.04028	1.1
153.01949	1.7
153.05592	1.9
161.04535	6.7
165.09151	1.1
167.07169	1.1
203.05565	2.0
209.08275	1.5
211.03876	1.0
224.04726	1.3
227.09222	1.2
239.03458	3.0
240.04424	1.2
267.02951	2.2
268.03738	18.7
269.04355	6.1
283.06177	6.5
311.05612	9.8
311.11182	2.4
329.08737	2.1
341.06631	2.8
431.09818	27.1
431.15363	1.8
432.09885	2.1
432.15378	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	431.0983
Annotation	Vitexin
Peak:m/z	Relative Intensity
50.83511	0.4
58.56416	0.5
59.01379	30.9
71.01394	2.3
71.26208	0.7
71.26534	0.4
73.02946	1.0
77.03972	3.2
79.01883	1.4
82.18530	0.4
83.01364	0.9
85.02937	0.6
85.85477	0.4
89.02441	0.9
93.03471	2.4
99.04507	0.7
101.02422	1.5
105.03433	1.2
107.01386	0.9
113.02423	1.3
117.03461	13.3
118.03738	0.4
119.03472	0.6
119.05022	1.1
121.02923	3.3
123.13181	0.4
128.11526	0.5
135.04527	2.5
145.02919	0.7
149.02463	2.5
159.04509	3.1
161.02431	6.9
161.04510	0.8
163.00366	1.2
163.03987	4.6
165.01936	1.0
179.03448	0.6
180.40450	0.5
183.04497	0.8
183.08160	0.5
191.03442	1.4
196.05049	0.5
197.06047	1.1
203.03470	0.8
209.05936	0.9
209.11847	1.4
211.07655	0.8
213.05489	0.6
221.06134	0.5
224.04720	0.6
227.07121	1.1
239.07060	2.7
253.05006	1.1
256.95972	0.6
267.06403	0.6
268.03702	3.5
269.04578	3.8
269.13916	5.6
281.04532	10.6
282.05264	2.8
283.06104	57.2
284.06439	4.4
293.04642	2.6
295.06097	2.2
299.05542	1.7
309.04080	0.5
311.05594	100.0
312.05914	7.7
314.04141	0.8
323.05542	5.8
341.02563	0.7
341.06635	13.1
342.06891	1.1
371.07617	0.7
371.16843	0.5
371.21054	0.5
413.09027	0.5
431.09805	55.0
431.22534	2.0
432.10239	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	431.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.6
67.82584	0.6
69.78062	2.8
71.01379	1.2
77.03961	2.1
79.01889	1.7
83.35450	0.5
90.89312	0.6
93.03452	2.3
96.78004	0.5
105.03493	1.0
113.02443	0.6
117.03457	13.9
119.05009	1.1
121.02928	3.3
130.78493	0.5
133.02892	0.8
135.04482	2.5
145.02890	0.7
147.04491	0.5
149.02415	2.2
151.00415	0.6
159.04465	2.6
161.02403	5.5
163.00322	1.0
163.04048	3.3
165.01923	2.0
175.00366	0.5
177.02003	0.7
183.04474	1.6
183.08138	0.9
185.02371	0.6
191.03430	0.9
196.05251	0.9
197.06042	1.4
203.03386	0.6
211.07692	0.7
224.04732	0.9
225.05478	1.1
227.03331	0.6
239.03482	1.0
239.07109	1.6
240.04337	0.6
241.05099	0.8
243.06549	0.7
253.05019	0.8
267.03052	0.8
268.03726	7.9
269.04538	15.2
281.04538	8.8
282.05319	6.2
283.06094	63.2
284.06433	4.1
293.04590	2.3
295.06110	5.5
308.03113	0.7
309.04001	1.4
311.05585	100.0
312.05930	7.7
314.04254	1.7
323.05566	8.2
324.05908	0.8
325.07086	0.6
341.06631	24.7
342.07016	1.6
353.06647	1.9
371.07947	0.8
377.06537	0.6
413.08743	1.3
431.09778	69.2
432.10178	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	430.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.0
60.01701	1.4
61.98827	100.0
69.19027	1.0
71.01334	1.0
71.12127	1.6
71.12460	1.0
74.28123	1.0
84.36717	0.8
93.03436	1.0
96.96003	12.5
98.19962	1.0
117.03442	2.7
121.02979	0.9
150.11432	0.9
161.02419	1.5
195.87456	0.9
239.06952	1.4
259.67795	0.9
269.04593	3.2
281.04584	4.4
282.05402	1.8
283.06110	21.6
295.05850	2.0
311.05582	34.3
323.05579	3.3
341.06604	9.8
413.08636	1.8
431.09790	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	430.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.5
61.98830	100.0
63.43092	1.1
70.83524	2.4
70.83879	1.9
77.03943	1.3
77.14500	1.0
80.85168	1.1
96.96009	26.5
98.20594	1.5
117.03494	5.6
120.56805	1.0
121.02970	1.6
139.94292	1.1
145.02950	1.7
161.02438	2.6
163.04059	1.7
163.33527	1.1
165.01955	1.6
225.05405	1.2
239.07025	1.6
268.03867	1.8
269.04520	4.9
281.04544	5.0
282.05344	3.0
283.06100	26.8
293.04486	1.3
295.06131	2.3
311.05606	49.6
323.05670	5.2
341.06677	13.4
374.49301	1.3
431.09833	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	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74659	0.4
53.16465	0.4
58.07941	0.5
59.01376	100.0
60.01700	0.8
61.98824	3.8
69.61882	2.7
74.57930	0.4
82.62506	0.4
89.02479	0.5
96.96005	11.5
96.96601	0.7
98.20645	0.5
113.02515	0.5
152.91756	0.9
171.10280	0.9
235.74753	0.4
275.20081	0.6
277.21753	1.8
295.22757	7.2
304.90048	0.4
369.13388	2.3
411.11749	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	430.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63494	2.2
52.14058	2.5
58.10147	2.5
59.01366	15.4
61.98824	100.0
71.55518	2.6
90.02782	2.4
117.03454	8.4
141.93495	2.9
142.70836	2.6
146.35535	2.5
161.02414	4.2
223.73421	2.6
269.04443	5.6
281.04459	7.1
282.05334	5.5
283.06104	50.4
295.06021	5.3
311.05582	82.4
323.05469	7.6
341.06616	23.5
431.09769	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29531	0.3
59.01374	100.0
60.01710	1.3
65.54455	0.3
69.12640	0.3
69.23384	2.1
69.23809	0.7
70.36371	0.3
71.01379	0.3
71.99490	0.3
89.02435	0.5
89.26414	0.3
91.04013	1.6
98.20673	0.7
101.15174	0.4
110.23696	0.3
113.27719	0.3
115.03620	0.3
135.78922	0.3
195.13892	0.7
277.21732	0.8
295.22775	9.8
296.23187	0.7
308.00418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95298	0.3
59.01376	100.0
60.01703	0.7
65.05457	0.3
69.18469	0.3
69.18708	0.9
69.19129	1.9
69.19444	0.2
71.01377	4.4
71.01724	0.4
73.02967	1.4
80.96497	0.2
83.01364	0.4
83.49163	0.2
85.02973	1.5
89.02438	2.6
95.01392	0.3
98.18180	0.3
98.20644	0.8
99.00867	0.5
101.02430	3.5
113.02434	2.0
119.03510	1.2
138.18256	0.3
144.50182	0.3
161.04536	1.5
174.14133	0.2
179.05515	0.5
183.85020	0.3
189.12865	1.3
207.13875	0.4
364.22275	0.3
369.19214	0.5
387.20090	2.8
388.20609	0.3
391.01425	0.2
427.89294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01691	1.2
71.01376	12.5
73.02939	8.5
79.14992	0.6
83.01370	3.1
85.02934	3.3
89.02426	5.0
95.01430	1.2
98.20660	1.7
101.02425	10.9
113.02415	4.2
119.03524	1.9
143.03510	0.9
161.04596	4.2
179.05696	0.8
189.13008	0.8
190.02754	1.2
207.13910	1.1
225.14970	0.8
297.04218	1.9
311.06018	0.9
317.76175	0.9
325.65927	0.7
339.17926	0.7
370.19476	0.7
387.20102	5.4
397.89841	0.8
429.08456	0.8
429.13889	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	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.96952	0.3
60.01717	0.8
61.98840	0.9
62.25774	0.3
69.59975	2.0
71.01384	0.3
76.36186	0.3
87.62294	0.3
89.02454	0.6
91.04001	2.1
96.96012	1.1
118.06332	0.3
125.56522	0.3
140.76083	0.3
181.16788	0.3
195.13937	1.2
277.21710	1.9
295.22754	14.1
296.23224	0.9
310.30325	0.3
412.87326	0.3
452.31958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03442	2.9
59.01375	100.0
59.63611	0.5
60.01722	1.0
60.41241	0.5
71.01376	13.0
71.56419	0.8
72.27794	0.4
72.99319	0.5
73.02943	4.9
80.75239	0.5
81.03457	0.8
83.01392	1.9
85.02949	3.8
87.00891	2.7
89.02439	6.3
93.03457	1.5
95.01392	1.1
96.96008	2.0
97.02944	0.6
97.06594	1.7
99.00874	0.7
99.04535	0.6
101.02444	7.3
102.02740	0.5
103.74944	0.4
107.05039	3.7
113.02431	6.0
115.73384	0.5
119.03501	2.7
119.05027	2.1
120.05806	0.8
123.08232	0.5
125.02504	0.6
131.61163	0.4
135.04567	0.7
137.02483	1.6
137.09756	0.9
143.01825	0.6
143.03539	0.6
147.51405	0.6
151.11322	0.7
153.05440	0.6
153.09314	0.5
161.04579	3.0
161.09694	3.4
161.13370	2.3
163.04018	1.9
163.11351	0.6
163.51381	0.4
179.05649	1.2
187.11279	4.8
189.09256	1.9
205.12376	2.0
207.10281	2.3
207.13899	1.4
211.09769	0.6
223.13359	23.8
224.13754	0.7
225.14941	6.5
249.11282	3.5
266.02225	3.3
267.12326	26.1
268.12732	2.0
309.13474	1.0
369.19342	2.0
387.20129	4.3
429.08578	2.0
429.17276	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36952	0.9
55.01855	0.9
57.03437	1.7
58.00578	1.6
59.01377	100.0
68.37983	0.8
70.42617	1.7
70.43007	2.7
71.01005	1.9
71.01376	26.4
72.99301	2.0
73.02941	2.5
81.07088	1.7
83.01355	1.1
85.02950	5.3
87.00862	1.1
87.20853	1.0
89.02441	28.3
95.01376	1.8
98.19875	1.1
99.00919	1.2
99.04513	3.5
101.02442	15.3
104.26048	0.9
106.73454	0.8
113.02460	11.0
119.03493	14.0
125.02442	0.9
131.03511	2.2
137.06876	0.9
142.20184	0.8
142.99606	0.9
143.03459	2.6
156.09843	0.8
161.04546	3.5
161.13332	13.8
162.13681	1.3
179.05568	4.7
187.11174	1.8
205.12317	24.4
206.12704	1.7
249.11296	42.5
250.11667	3.0
267.12280	1.4
273.11414	0.9
413.88263	1.1
429.17554	40.7
430.17899	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	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
57.03445	1.9
58.00586	2.2
59.01374	100.0
61.14657	0.9
69.25969	7.4
71.01377	34.6
72.99301	2.2
73.02937	3.4
81.07106	1.9
83.01379	2.7
85.02943	7.7
87.00886	2.0
89.02443	39.6
93.03446	0.9
93.77931	0.8
95.01398	3.3
98.20741	1.0
99.04522	5.7
101.02432	19.4
112.95650	0.8
113.02434	13.0
119.03496	16.7
123.99678	0.8
125.02402	1.5
125.06027	0.8
128.04210	0.9
131.03487	1.9
135.02113	0.8
137.02457	1.7
143.03491	2.0
149.04541	1.1
161.04520	2.4
161.13353	14.5
179.05585	5.6
187.06331	0.9
187.11230	1.3
205.12311	34.2
206.12584	0.9
249.08684	2.3
249.11295	45.1
250.11697	3.0
267.12134	1.3
369.19528	1.0
377.20438	0.9
385.18445	1.0
387.20148	2.8
429.08328	1.5
429.17511	20.4
430.18118	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	429.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90370	0.2
59.01367	0.8
71.01386	0.2
71.57729	0.3
80.43069	0.2
99.00861	0.4
99.92583	5.2
100.92725	0.4
100.93358	3.4
101.93356	0.2
106.16979	0.2
113.92680	0.3
115.92075	100.0
116.92083	4.7
116.92865	5.7
117.92836	0.3
132.92349	0.9
155.95168	0.3
172.95459	5.8
173.95491	0.3
183.10312	0.2
240.11659	0.2
255.23320	0.7
284.23422	0.2
314.02158	0.2
318.98672	0.2
355.15863	0.8
356.16586	0.2
371.15460	0.3
381.17429	0.9
382.18021	0.2
429.19473	6.1
429.25421	0.4
430.19565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.9
59.01361	3.3
60.78265	0.9
61.98846	1.1
64.89830	0.9
68.99815	90.0
71.01365	3.1
79.63705	0.9
87.00863	2.9
89.02435	1.8
96.99304	58.6
101.02404	1.1
112.98563	4.0
116.05058	17.1
128.03802	1.0
133.01410	1.2
195.09354	1.1
211.01004	1.0
247.12175	1.4
263.11575	1.4
277.07236	2.1
278.08246	2.3
293.00140	1.2
309.10077	1.9
319.10745	4.1
337.09439	1.6
338.10254	5.8
345.34225	1.1
351.13449	100.0
352.13602	8.5
353.11282	1.3
369.12100	2.4
379.12729	1.6
386.28238	1.1
396.13052	2.4
411.15585	6.1
429.16266	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	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08722	0.5
58.84759	0.4
59.01379	100.0
60.01718	0.7
70.30443	1.1
70.30788	0.6
78.65485	0.4
89.02487	0.5
91.04025	2.2
107.46439	0.4
127.97623	0.4
137.47455	0.4
162.61508	0.4
171.10275	0.8
221.39749	0.4
275.20172	2.0
293.21252	10.9
293.24417	0.9
294.21814	0.5
339.11014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98828	18.0
66.09603	0.9
69.25587	2.7
69.26013	6.9
73.73466	0.8
76.21864	1.0
79.95741	1.1
87.22903	0.9
94.92502	1.4
95.05022	1.2
96.95999	1.5
103.50720	1.0
166.49571	1.1
180.59122	0.9
201.97099	1.9
240.99403	1.6
244.68930	1.0
255.01178	1.1
293.21130	3.3
306.01953	1.0
330.05527	12.4
367.13257	4.4
427.24039	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	427.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01725	1.0
61.98839	0.8
62.92937	0.4
66.56831	0.4
70.08338	0.3
74.97311	0.4
84.43783	0.4
96.96059	1.2
98.20844	0.5
293.21201	5.3
425.48947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.13062	8.8
61.98820	17.8
69.46192	70.2
71.15543	10.0
76.61761	9.3
88.71393	9.7
91.01870	16.0
96.96011	61.8
98.20592	23.4
113.07944	10.2
114.27502	9.0
119.57472	11.0
135.00873	22.4
150.86855	9.3
177.81813	9.3
190.85725	10.1
201.08214	10.7
255.06642	11.1
427.26978	28.8
428.46561	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	428.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40554	0.5
51.59948	0.4
54.46849	0.4
59.01376	82.1
60.01710	0.5
61.47753	0.5
61.98822	1.0
63.79742	0.4
64.46517	0.5
71.01380	8.5
73.02954	3.0
74.59686	0.5
75.00861	0.6
78.03486	4.1
83.01415	1.3
85.02947	1.5
89.02439	2.6
101.02422	5.6
108.04558	1.4
113.02435	3.3
119.01395	0.5
119.03514	1.7
122.02476	100.0
123.02851	3.0
136.04036	62.2
136.72552	0.5
137.04396	2.0
149.02452	0.9
153.09166	0.9
161.04585	2.1
164.03532	10.1
175.00337	2.5
190.02686	6.8
194.04630	0.8
205.05064	7.7
223.06061	1.3
224.05641	2.6
387.20349	1.8
428.15604	33.0
429.08124	1.0
429.13885	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	429.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	14.0
59.01378	24.9
64.54581	0.8
68.99792	2.3
69.03429	0.9
69.36673	5.9
70.01831	0.6
71.01376	5.6
73.02950	4.5
82.29514	0.7
83.01418	1.1
85.02969	2.0
86.36646	0.8
89.02435	0.9
91.01886	1.9
93.91386	0.8
97.02947	4.9
99.04514	6.6
101.02443	5.6
108.02172	13.6
108.87321	0.9
109.02946	96.9
110.03288	2.6
110.38964	0.7
112.50198	0.7
113.02454	3.3
121.02988	0.8
123.00882	2.2
123.04521	3.0
133.02943	2.0
151.00368	0.9
151.03963	3.4
152.01151	27.5
153.01930	100.0
154.02327	3.6
160.01715	0.8
161.04564	7.0
173.57260	0.8
175.04031	2.5
195.03026	2.0
267.05084	57.2
268.05579	2.9
277.82184	0.9
285.06183	69.9
286.06622	3.4
297.03964	3.7
298.04889	2.3
299.05118	0.9
324.02960	1.0
325.03549	1.7
327.07211	31.7
328.07718	2.4
339.05191	0.9
341.06726	1.9
367.10458	4.7
369.06024	1.2
381.06241	1.0
399.07306	1.3
411.07462	1.4
429.10330	30.7
430.10031	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	429.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65887	0.8
53.23308	0.6
57.03445	51.6
59.01379	17.9
61.98829	3.5
62.08981	0.6
69.89931	3.4
71.01378	3.7
75.00862	0.8
85.02951	2.2
87.00876	2.0
89.02453	1.3
96.95979	1.5
98.20623	1.0
99.00904	0.8
99.04524	2.4
101.02433	2.1
107.05025	1.4
108.02172	16.5
109.02947	3.0
113.02425	2.1
119.03459	0.7
121.02884	0.9
122.02497	0.8
123.04479	1.8
125.02441	1.2
133.03003	1.1
134.04744	0.8
135.04532	1.6
147.04507	1.2
149.02444	0.8
149.06166	1.0
151.04004	8.6
152.01137	14.3
153.01926	3.3
160.05286	0.8
161.02428	0.6
164.04741	1.2
165.01874	0.7
165.05589	3.2
175.03979	9.7
177.01903	10.7
179.03664	0.7
179.07152	1.4
181.04932	0.7
185.02126	0.7
185.04733	0.7
190.06355	6.4
192.04277	14.4
193.05045	26.7
194.05420	0.8
205.08691	11.2
207.06610	17.3
208.07390	35.2
209.07724	2.1
216.33420	0.6
223.09735	100.0
224.10086	5.8
267.06723	0.8
267.08841	1.9
285.06140	11.4
286.06573	0.9
297.12262	1.0
303.54672	0.7
306.94519	0.7
327.07166	8.0
328.07697	0.7
367.10297	1.5
381.63861	0.7
429.09622	2.4
429.15097	3.1
429.19327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2333
Annotation	Lyoniol D
Peak:m/z	Relative Intensity
55.01870	0.8
57.03442	1.8
57.20823	0.6
59.01376	100.0
60.01714	0.7
61.27150	0.6
61.98813	0.9
69.33576	4.8
71.01379	16.5
72.99304	0.6
73.02945	6.1
83.01378	2.9
85.02949	6.7
87.00868	0.8
89.02426	4.6
95.01377	1.0
96.96013	2.1
98.20687	1.2
98.95641	0.7
99.00891	1.8
101.02438	12.2
113.02434	6.5
119.03550	1.5
124.00282	0.6
125.02404	0.5
132.76462	0.5
133.82076	0.7
143.03520	1.1
159.03001	1.5
161.04541	7.6
193.15948	0.8
205.16051	1.0
223.17029	0.7
225.74065	0.6
263.36865	0.6
309.42850	0.5
320.71222	0.6
367.21432	2.4
385.22272	17.3
386.22763	1.1
427.23398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06962	0.3
59.01377	100.0
60.01718	1.0
61.98837	0.3
64.19592	0.3
69.59560	2.2
75.11721	0.3
84.61263	0.3
91.04021	0.6
96.95963	0.4
110.35672	0.3
156.03790	0.3
160.81952	0.3
171.10249	2.1
223.13504	0.4
233.08237	1.1
257.19235	0.4
275.20154	4.9
293.21216	4.7
344.37985	0.3
369.13559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84101	1.0
54.19283	1.0
55.15112	1.0
57.03434	4.9
59.01377	100.0
60.01706	1.2
69.03446	1.5
71.01380	26.9
71.12595	2.4
72.99244	1.3
73.02547	2.1
73.02945	31.6
83.01392	11.3
83.05017	2.0
85.02940	5.5
87.00880	1.8
89.02437	4.3
95.01380	1.8
96.77986	1.0
97.06563	1.9
98.03698	2.1
99.00896	1.4
101.02433	17.5
107.32032	1.1
108.02180	2.7
113.02434	9.0
113.06059	1.2
114.05569	1.5
121.06570	2.1
135.08081	1.7
137.06094	1.3
137.09718	1.9
139.07610	1.6
153.09213	6.8
161.04536	3.8
162.47527	1.2
163.07643	1.2
163.11243	1.5
165.09172	4.0
175.03976	1.6
187.11258	2.1
205.12311	4.7
219.13997	1.3
223.13390	27.4
224.13757	1.9
229.12286	2.7
235.13391	3.7
236.13976	1.2
237.14940	9.3
247.13295	2.6
265.14456	7.3
270.80212	1.1
303.27988	1.1
425.49515	1.2
426.96344	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	427.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03444	4.7
59.01377	100.0
60.01699	1.0
71.01377	25.8
73.02946	18.4
77.91181	0.9
80.54935	0.9
83.01375	7.1
85.02944	6.1
87.00859	0.8
89.02457	4.1
89.02981	0.8
95.01367	1.2
97.02962	0.9
97.06608	1.1
99.00880	1.1
101.02437	12.0
103.05113	0.9
108.02176	1.6
109.06495	0.9
113.02444	8.7
114.05581	2.0
137.09708	2.3
139.07610	1.3
153.09225	4.9
160.01659	1.2
161.04597	4.1
163.11261	2.3
165.09164	2.8
175.03883	1.3
175.11340	1.0
184.22644	1.0
187.11322	1.7
203.10535	0.8
205.12306	4.5
209.11925	0.9
223.13344	20.7
224.13634	1.5
229.12277	2.3
235.13382	2.8
237.14853	6.1
247.13318	3.1
265.11139	0.8
265.14380	6.2
272.31647	0.8
402.72937	0.9
427.25150	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	427.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.4
61.98828	100.0
66.83624	0.4
69.23616	4.3
70.45707	0.4
88.13092	0.5
113.16361	0.5
123.04526	0.5
126.90627	1.0
220.82314	0.5
248.94214	0.7
293.21225	0.5
368.26617	0.6
454.07578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
57.03437	0.8
59.01377	100.0
60.01699	1.0
70.66653	1.1
71.01379	15.4
73.02951	6.5
79.73970	0.4
83.01400	1.5
85.02946	5.5
87.00870	0.8
89.02440	3.9
95.01409	1.0
95.05052	0.5
97.02981	1.6
99.00900	1.0
101.02446	5.6
105.88677	0.4
107.05005	0.4
108.05835	0.5
113.02448	9.6
118.02157	0.4
119.03482	0.8
123.08156	0.6
125.06093	0.9
126.54433	0.4
136.05310	1.5
137.06122	0.6
138.06856	5.4
139.07660	2.2
149.02473	0.4
151.07642	6.5
152.04857	0.7
152.08420	16.3
153.09209	32.5
154.09552	1.3
160.01634	0.6
161.04549	3.2
163.11298	0.8
164.04797	0.6
165.09236	1.2
175.02510	0.5
175.03996	0.6
190.02814	0.6
205.05203	0.8
205.12317	14.3
206.12735	0.6
223.06107	0.8
223.13350	4.3
313.24020	0.4
367.17587	15.2
368.17923	1.4
385.18686	3.2
427.10593	0.6
427.19827	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	427.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01712	1.0
71.01372	0.5
90.40929	0.3
90.77885	0.2
90.88903	0.3
94.73930	0.3
100.34815	0.3
101.02485	0.3
108.35369	0.2
120.50299	0.3
122.60603	0.2
139.07103	0.3
148.05298	11.2
149.05666	0.5
161.04604	0.4
163.07634	14.6
164.08075	0.6
203.05684	0.5
229.29138	0.3
254.99358	0.3
273.93845	0.3
285.42514	0.3
296.86346	0.3
365.77783	0.3
381.12326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33371	1.2
55.25290	1.4
57.03445	94.1
58.03788	1.5
59.01376	100.0
69.57220	2.8
69.57632	6.8
71.01375	18.9
73.02929	7.0
83.01391	2.9
85.02953	5.7
89.02438	14.7
90.38618	1.2
95.01361	1.6
98.19938	2.8
99.04511	81.7
100.04877	1.7
101.02441	28.2
113.02450	15.6
119.03502	5.3
124.10555	1.4
125.02441	32.1
131.03468	1.9
132.02153	3.7
140.44441	1.4
143.03465	3.9
160.01636	13.8
161.04550	6.5
165.09181	1.4
167.22995	1.3
175.03996	14.9
179.05573	4.9
193.05087	2.5
251.70750	1.4
268.03729	4.9
269.04401	2.9
293.43472	1.4
311.05582	4.8
383.07724	4.8
427.06415	3.4
427.15720	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	426.1402
Annotation	Pemetrexed
Peak:m/z	Relative Intensity
59.01368	1.7
61.98822	2.8
63.41827	0.5
63.91020	0.6
70.96519	0.7
70.96843	0.9
71.01374	3.6
72.04542	12.4
77.74852	0.5
78.95895	5.0
80.60318	0.7
82.02977	62.0
83.01375	0.6
85.02936	1.4
87.43716	0.6
89.02496	0.6
90.31779	0.5
96.96008	11.1
96.96657	0.6
96.96949	1.3
98.02469	19.5
99.00858	0.9
100.04038	35.2
101.02419	1.4
107.04944	0.7
113.02457	0.9
119.05017	36.2
120.05277	1.3
126.01955	1.0
134.04704	1.4
158.92516	2.1
161.04604	0.8
179.05527	0.6
192.10263	10.1
218.08183	4.8
220.09756	50.9
221.10201	3.2
246.07802	1.1
264.08743	6.3
426.14041	100.0
427.14148	11.1
427.25671	0.7
435.52713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41566	0.5
59.01374	3.0
61.98824	1.6
70.98324	0.5
71.01367	0.7
71.57715	0.6
71.58072	0.5
73.33058	0.4
77.78690	0.5
78.95904	3.9
79.95722	2.3
89.20872	0.4
89.24732	0.4
93.03427	0.6
93.42220	0.5
96.96007	100.0
96.96896	6.1
109.02956	0.9
118.00140	0.4
123.04534	4.9
127.02891	0.5
132.98195	0.8
137.02448	0.8
153.01952	0.7
167.03493	0.7
189.01552	0.5
195.25745	0.4
204.99120	1.1
221.01268	0.8
246.44067	0.5
260.38211	0.4
265.00372	4.1
267.10724	0.7
287.30707	0.5
329.08658	2.4
414.95148	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52938	1.0
59.01377	100.0
59.95344	1.0
70.67400	3.0
92.92780	4.8
94.93571	1.2
98.19948	1.2
108.92956	0.9
113.05267	1.0
152.55693	1.0
202.72253	1.0
233.28603	1.0
291.19754	3.4
407.21301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15148	1.3
59.01377	100.0
61.98822	3.8
71.57179	1.2
73.35198	1.2
79.65407	1.4
89.50868	1.4
96.96024	2.1
112.98563	1.8
178.95070	1.4
216.38850	1.5
220.72482	1.5
223.52112	1.4
291.19675	18.1
292.19781	2.3
326.13284	1.4
340.49451	1.4
365.23212	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.4
60.01716	0.6
61.98829	0.5
65.81403	0.5
71.58239	0.6
79.66525	0.5
83.05015	0.6
88.18681	0.6
92.92801	0.6
96.96010	1.6
164.42316	0.5
167.14351	0.8
183.13893	8.9
184.14276	0.8
193.12335	0.6
195.13885	22.8
196.14238	1.4
197.15477	0.6
211.13387	31.3
212.13774	1.5
213.14961	8.1
214.15274	0.5
223.13426	0.6
269.47928	0.5
315.26840	3.8
341.24777	0.7
359.25900	2.8
360.26611	0.5
377.26871	3.4
381.90759	0.5
389.26871	0.5
395.28192	1.0
407.28079	1.0
425.29071	100.0
426.29382	10.0
429.81674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98454	0.6
59.01381	4.4
61.98838	1.1
67.44775	0.6
70.15203	1.5
71.01361	0.9
92.92812	3.4
96.96027	1.0
103.23637	0.6
110.57201	0.7
118.53647	0.7
134.49756	0.6
135.28076	0.7
173.95685	0.8
183.13904	12.0
195.13893	24.4
196.14249	1.5
211.13379	32.9
212.13715	1.9
213.14954	7.6
223.13242	0.8
229.79889	0.7
315.26865	2.9
341.24768	1.1
359.25882	2.2
377.26834	2.9
407.27969	1.5
425.29053	100.0
426.29391	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	425.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01375	8.5
61.98823	4.3
70.90466	0.8
70.90806	1.5
71.01379	3.3
83.01386	0.8
83.05031	1.1
85.02918	1.2
85.04078	0.9
89.02445	1.5
91.00407	0.9
96.96005	6.0
101.02435	2.2
107.05008	1.6
113.02392	1.9
114.47559	0.7
116.05048	4.6
119.02818	1.5
122.03753	0.8
123.00883	1.1
124.01665	6.6
134.03719	3.3
134.04677	1.6
135.04518	100.0
136.04854	3.1
137.02423	1.1
139.04019	6.7
141.01674	2.1
145.44829	0.8
151.84604	0.9
153.94073	0.9
155.07164	1.1
161.04532	1.0
162.05568	2.6
176.07170	0.9
191.04962	2.1
192.05176	0.9
199.06381	1.4
215.09309	0.9
221.04367	0.9
240.10217	4.7
281.12238	1.2
327.11295	0.8
329.12787	3.7
331.14386	1.1
333.13614	1.0
345.12540	1.1
357.15945	2.1
359.14078	1.0
361.15549	20.7
362.15848	2.1
365.18161	2.5
373.15469	2.3
374.16220	1.8
389.18680	82.7
390.18994	9.2
413.12082	0.9
425.20389	1.1
433.17618	9.8
434.17767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.99322	0.8
61.98833	6.5
69.95309	3.8
71.01380	23.2
73.02966	2.2
75.00877	2.2
85.02972	2.3
86.40667	0.7
87.00861	1.8
88.98805	4.8
89.02436	1.5
95.90954	0.7
98.19914	1.1
101.02454	4.0
103.87105	0.8
113.02464	2.1
129.05792	0.8
147.06621	6.2
161.04594	1.7
168.84456	0.9
173.08214	1.3
177.02113	0.9
189.46179	0.7
201.07715	6.8
207.44263	0.7
245.10414	1.9
263.11313	3.5
305.12381	8.9
333.11935	1.8
362.14548	0.9
425.08762	0.8
425.20767	4.1
426.20636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1842
Annotation	FR901483
Peak:m/z	Relative Intensity
56.46066	0.7
59.01379	7.6
61.79193	0.6
61.98824	1.6
62.27219	0.7
69.78763	2.8
71.01382	1.6
75.00880	1.5
78.95904	7.4
79.95735	2.6
85.02952	0.9
95.05023	0.7
96.96008	100.0
96.96928	15.0
97.03038	0.7
98.20564	1.1
101.02415	1.1
113.02425	0.7
114.93412	1.2
143.03310	0.8
170.54730	0.6
183.05521	0.7
195.84572	0.6
211.13419	0.9
216.40070	0.6
241.30923	0.9
245.05000	0.8
263.06119	1.0
265.07599	6.5
267.09085	8.7
277.07678	1.3
295.08383	4.3
309.10132	5.5
311.08209	1.8
327.11301	0.7
327.21747	7.0
337.83932	0.6
340.40128	0.8
365.16748	2.6
425.18552	10.4
426.18939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51699	0.5
57.03450	0.9
59.01381	8.9
61.98819	1.7
68.99815	34.0
69.53162	0.6
71.01379	10.6
71.58240	0.9
73.02942	16.4
83.01388	2.3
85.02947	5.5
86.85353	0.6
87.00855	0.6
89.02460	1.2
95.01399	0.7
96.96009	5.4
99.00877	100.0
100.01205	1.7
101.02443	10.6
111.00835	0.9
113.02439	8.3
117.01944	2.9
125.02438	0.7
143.03455	1.8
147.04521	0.6
148.05302	35.6
159.02995	1.3
159.52013	0.6
161.04556	11.7
163.07626	21.3
164.07881	1.1
261.06207	2.7
267.23233	0.6
396.00323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79300	0.6
59.01377	81.0
60.01696	1.3
61.98828	100.0
69.62716	3.5
79.93803	0.7
89.64594	0.6
90.02059	0.6
92.94175	0.6
113.50101	0.8
114.47380	0.7
386.46262	0.6
412.45490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53410	0.2
56.13111	0.3
59.01376	100.0
60.01716	0.9
61.98828	33.4
69.60246	0.6
69.60638	1.4
71.01401	1.0
75.21551	0.3
94.38476	0.3
98.20654	0.3
119.38531	0.3
129.21413	0.3
157.57698	0.3
214.03845	0.3
256.23788	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
61.98830	0.2
64.34305	0.2
65.03951	0.5
69.57770	0.4
69.58176	1.1
71.01373	0.6
71.05008	0.9
73.02943	1.2
93.03455	59.1
94.03792	1.3
98.20662	0.3
101.02442	0.7
105.03475	0.3
119.13233	0.2
121.02923	0.9
134.03743	1.4
137.02438	100.0
138.02773	2.9
145.76518	0.2
149.09659	0.3
161.02429	1.1
177.09167	0.5
219.02931	0.3
221.08171	5.3
222.08536	0.4
236.10925	0.2
365.12820	0.3
425.14508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01378	92.7
60.01708	0.6
61.98825	1.6
63.02398	1.3
65.00309	2.0
71.01375	2.2
71.56960	0.7
73.02942	0.7
83.00951	0.5
83.01395	1.8
84.02783	0.3
88.06231	0.4
93.03483	0.5
99.04530	0.5
101.02463	1.1
105.03490	0.5
107.01383	4.1
113.02489	0.9
117.03449	9.9
121.02947	0.6
129.02058	0.4
133.02933	0.8
147.04568	0.7
148.01654	1.1
148.22040	0.4
149.02448	7.1
149.99597	1.4
151.00369	9.2
159.04552	1.5
161.02400	0.7
161.06087	16.1
162.02423	0.4
162.06435	0.7
165.12849	1.7
171.04480	0.7
172.05263	0.9
173.93719	0.4
175.03981	0.7
181.06573	0.8
183.04500	1.3
183.13908	3.9
184.05238	0.6
185.02454	0.9
192.04295	0.7
195.04544	0.7
196.05304	1.5
199.03934	0.4
200.04727	0.8
201.05516	1.3
211.04079	2.3
212.04663	1.0
223.03842	0.5
225.05557	2.5
226.35284	0.5
227.03513	1.3
227.12881	6.1
239.03511	4.6
240.04260	5.3
241.04718	0.6
247.02386	0.7
247.09802	0.6
253.04970	0.8
267.02991	2.2
268.03741	100.0
269.04498	61.7
269.07559	1.1
270.04883	4.3
281.04565	4.1
282.05127	0.6
293.04565	1.7
297.04010	11.7
298.04449	0.5
307.05984	0.5
308.03186	1.6
309.07571	4.0
310.08011	0.5
311.05597	2.8
321.03821	0.4
324.37125	0.4
337.07141	4.9
365.06604	18.4
366.06967	1.7
425.08746	83.2
426.09076	8.4
446.20712	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39693	0.8
78.95898	11.3
87.45667	0.3
87.75040	0.4
104.97407	0.7
110.97832	0.6
110.98530	8.3
113.56236	0.4
141.81958	0.4
152.99644	0.4
167.01135	11.5
185.02196	1.8
236.52553	0.4
255.23267	100.0
256.23611	6.7
423.25162	21.9
424.25443	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	424.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05521	4.1
54.98370	4.9
59.01384	13.3
61.98826	14.9
66.45459	4.5
70.75002	10.9
70.75335	7.2
71.01378	9.7
78.95896	14.7
96.95994	31.4
96.96959	9.0
101.02470	5.5
106.00606	6.2
110.98537	7.7
122.02476	100.0
168.01859	4.9
173.02176	5.8
196.99953	4.6
388.12573	8.7
389.23611	6.1
417.31662	6.3
424.10120	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.6
59.01377	100.0
60.01723	2.5
61.98827	18.9
67.95650	2.6
71.01376	19.5
71.56509	3.6
73.02948	6.0
75.00862	13.9
85.02938	6.5
87.00951	3.3
89.02431	4.3
96.96000	7.3
99.04501	3.5
101.02405	6.4
113.02471	3.8
149.49347	2.6
156.06694	2.7
161.04518	3.0
165.05458	4.0
208.03745	4.1
223.06192	5.7
243.12257	2.6
267.90564	2.5
303.13974	3.2
313.12665	4.0
331.13824	4.5
361.14398	3.6
363.16626	4.8
385.11258	5.0
423.09784	11.9
423.18503	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1787
Annotation	WF 10129
Peak:m/z	Relative Intensity
59.01379	38.8
61.98837	36.3
64.81515	24.0
65.40972	25.5
70.41795	80.2
77.56738	26.0
90.00941	22.2
95.24570	24.7
119.72575	25.4
423.18045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	31.9
61.98826	100.0
69.37981	40.1
72.67170	4.7
97.40025	5.3
122.06092	6.9
124.04080	5.6
148.04031	7.6
150.05582	18.6
152.06952	5.7
160.04057	8.4
161.04631	6.6
178.05084	8.7
189.04300	6.8
243.11308	7.8
255.11339	8.0
261.12476	6.0
267.11401	11.3
285.12320	18.8
311.10361	14.5
329.11398	20.6
331.09235	8.8
347.12518	14.3
361.14020	14.9
373.10138	6.7
375.39908	8.4
405.12982	8.8
423.18634	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	423.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	46.6
61.98838	54.1
63.79413	11.6
69.20860	100.0
73.02946	13.0
74.03246	11.2
80.38117	11.0
86.71923	10.2
91.47013	9.7
98.20734	19.6
101.02397	12.9
141.53354	10.8
149.02385	13.2
159.14471	12.4
165.05490	12.6
175.76234	11.1
190.02669	21.8
192.46712	10.8
205.05025	26.5
243.12328	14.6
268.25064	14.4
423.06955	12.6
423.18011	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	423.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	37.7
61.98825	25.0
70.44590	3.8
70.44987	3.7
71.01390	9.8
72.99310	2.3
73.02964	3.2
78.95909	11.5
79.95735	3.2
80.05071	2.1
82.57656	1.6
82.89023	1.6
83.05007	1.9
84.73317	1.4
85.02952	3.5
89.02456	6.3
91.28554	1.6
92.05067	3.3
96.96010	100.0
96.96942	26.5
99.04526	1.5
101.02434	6.0
104.05035	3.8
108.04531	1.7
112.04044	3.4
113.02447	7.1
116.05057	5.5
118.06649	2.5
119.05026	5.5
121.02988	1.8
122.06096	14.4
123.04520	2.8
124.04089	3.8
124.07671	4.4
125.02366	2.6
128.03528	3.9
132.04533	2.6
134.06094	8.0
135.04480	1.8
136.07597	2.2
137.02484	2.7
138.05638	1.8
140.07185	2.3
146.06120	2.9
148.04054	15.3
150.05602	44.5
151.04088	2.0
152.07138	6.8
153.05571	2.6
160.04031	8.6
161.04706	6.0
162.05621	6.4
163.03941	3.8
164.04868	1.5
165.05560	2.1
168.06682	2.1
174.05576	1.9
176.07144	4.1
178.05080	21.5
179.03505	1.9
179.05595	2.9
181.05066	1.7
184.06116	4.6
189.90221	1.6
190.04964	3.8
191.05943	3.4
192.06656	2.6
193.01747	3.2
200.07277	2.7
200.99596	4.5
204.02945	2.4
206.04594	4.4
212.10655	2.9
218.99855	2.3
220.06134	9.9
223.06068	3.6
224.10799	5.6
225.07735	1.9
225.10246	4.5
227.08147	3.5
228.08893	3.2
230.11839	7.0
235.02858	3.9
236.05589	2.1
237.06621	2.2
239.08292	2.0
240.08850	2.6
242.06996	3.6
242.11893	8.4
243.11362	22.8
244.11763	2.0
252.08977	9.5
254.07341	1.6
255.07553	2.6
255.11389	9.7
257.09338	12.0
260.12833	7.7
261.00714	10.6
261.12454	8.2
267.11377	32.3
268.09546	2.1
269.09351	5.3
270.10117	4.9
273.12750	1.7
283.11081	2.5
284.07877	2.7
285.12460	46.4
287.10345	20.6
293.09244	4.9
295.12921	4.2
303.13455	19.8
305.11584	5.5
311.10355	34.5
329.11392	50.3
330.11716	4.9
331.09274	27.1
332.09821	2.2
335.89499	1.9
347.12460	34.4
348.12747	2.9
355.09473	3.4
363.04156	2.1
363.16727	9.5
373.10419	18.2
374.10660	2.2
387.11890	2.9
405.13065	13.3
405.66156	1.9
423.14148	20.3
423.18900	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04076	0.4
54.20749	0.3
57.03452	0.6
59.01381	8.9
61.98823	2.2
70.69110	0.7
71.01376	1.8
73.02965	0.5
75.00876	0.8
78.95898	8.4
79.95724	2.5
83.01386	0.5
85.02943	0.9
89.02438	0.9
96.96009	100.0
96.96930	18.0
97.93142	0.4
97.95889	0.4
101.02455	1.9
105.33779	0.4
113.02442	0.6
119.05029	1.5
120.01244	0.9
125.02499	0.4
144.42393	0.4
148.04109	0.4
150.05649	0.6
160.03995	0.6
160.94124	0.4
161.04529	0.4
163.03975	1.2
173.57021	0.4
178.05058	0.6
179.07043	0.5
193.01820	0.6
194.11333	0.4
195.06537	0.5
196.49127	0.5
200.99597	1.6
208.03790	0.6
218.99687	0.6
221.45062	0.4
223.06087	2.0
235.02908	1.1
261.00845	2.3
285.12354	0.9
303.13681	1.5
329.11578	0.9
333.10797	0.4
347.12466	0.9
355.09579	0.5
363.16574	1.2
378.94043	0.4
405.12866	0.5
423.14203	0.7
423.18829	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	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	28.4
61.98830	18.6
69.61840	100.0
72.20209	14.6
77.22897	15.6
127.48607	15.0
184.37514	16.9
188.08215	15.5
206.42953	16.6
280.98468	15.9
284.33548	21.7
314.66107	14.3
403.24664	36.1
406.52780	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	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29883	10.7
54.30747	11.1
56.74625	12.5
59.01365	36.7
59.29139	10.8
61.98826	26.5
69.91101	45.0
83.42828	13.8
88.98800	100.0
89.02442	41.6
97.02953	44.4
98.20515	17.7
100.44257	12.3
121.02946	23.6
122.03291	15.9
136.36246	11.2
154.93613	11.3
188.71725	12.3
193.08359	30.1
233.11501	18.4
330.73383	11.5
421.28122	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	421.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	21.6
60.99314	9.8
61.98822	10.4
69.47566	19.5
69.47984	48.8
78.95898	20.3
79.61398	8.2
88.98806	100.0
89.02429	26.7
97.02956	12.4
110.98508	29.2
118.27258	8.3
119.53860	11.1
120.77026	8.9
185.02133	57.6
233.11543	56.6
253.21649	26.4
285.05566	12.8
287.05457	19.2
331.18942	11.3
359.04355	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	421.2592
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
52.46986	1.7
57.99187	1.4
59.01383	8.7
61.98832	3.1
64.81695	1.4
71.56734	1.9
83.05020	6.6
85.06570	1.6
96.27276	1.4
97.06543	2.7
106.10706	1.5
109.06567	2.1
111.08129	1.9
119.05002	2.2
125.09706	8.0
168.26892	1.4
171.10280	17.9
172.10771	1.6
187.14900	1.8
189.16411	2.1
198.68622	1.5
205.15958	3.1
209.11749	2.1
211.13333	4.2
215.14397	1.8
231.13939	1.8
233.15439	26.2
249.14917	10.5
385.23810	4.6
403.24814	47.4
404.25262	6.5
421.25974	100.0
422.26221	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	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19204	0.5
70.10386	0.9
70.10783	1.0
78.95911	2.9
80.91692	0.8
91.68018	0.4
110.98538	4.0
112.82598	0.5
163.11281	100.0
164.11647	4.2
167.01122	0.5
185.00620	0.9
185.02176	6.6
212.95396	0.6
253.21680	2.9
311.68692	0.6
339.23254	71.7
340.23544	7.1
379.21350	1.3
421.23099	2.8
442.49460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66710	3.5
56.96772	3.0
59.01371	18.1
61.98810	9.0
69.66642	6.3
69.67047	14.6
71.01375	14.8
85.04073	24.6
86.04409	4.5
87.05643	7.8
88.04041	5.7
89.02438	7.2
101.02399	3.8
128.03516	42.1
129.03844	12.4
133.06917	7.6
133.59996	3.6
157.06195	30.2
158.06487	10.7
179.06613	3.6
190.02660	15.3
196.07222	5.5
197.07506	6.7
205.05075	24.5
223.06012	8.3
232.91753	3.8
268.09332	3.6
269.09515	4.5
286.10352	15.7
287.10699	11.1
377.17969	7.8
385.11371	6.1
403.17279	7.9
421.16626	100.0
422.17307	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	421.2076
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.91772	0.3
55.01876	4.9
57.03445	6.1
57.29670	0.3
57.94823	0.3
58.00593	3.3
59.01377	74.2
60.01701	0.7
61.98829	0.4
63.31269	0.2
67.01897	0.3
68.99825	0.8
69.03458	2.9
70.40497	1.1
71.01379	100.0
71.05025	0.4
72.01714	1.2
72.99309	3.9
73.02943	24.8
74.03274	0.4
74.15636	0.3
75.00866	1.5
81.03465	1.6
82.73774	0.3
83.01380	14.4
84.01691	0.3
84.02170	0.5
85.02948	36.9
86.00101	0.7
86.03291	0.6
87.00866	4.8
87.04539	0.4
89.02439	50.7
90.02788	0.9
95.01388	5.1
97.02946	5.1
99.00877	11.0
101.02438	61.2
102.02776	1.0
108.93890	0.3
109.02912	0.3
111.00882	7.5
113.02448	28.4
114.02760	0.5
115.04006	2.6
119.03516	1.8
125.02438	8.5
127.11303	1.9
128.01205	0.4
129.01935	1.9
131.03497	26.1
132.03844	0.6
137.02490	0.7
139.03976	0.4
141.01932	0.4
143.03487	4.9
149.03339	0.5
149.04547	13.9
159.02979	3.8
161.04544	24.9
162.04900	0.8
164.07214	0.3
165.07454	0.4
173.04416	0.5
187.06088	0.3
191.05595	4.2
203.05646	0.5
205.03481	0.6
215.05574	1.5
233.06645	5.8
234.07166	0.3
271.15497	0.8
289.16550	38.8
290.16852	2.5
293.08752	2.7
333.15387	0.4
377.19110	1.1
421.20761	58.8
422.21164	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	421.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.1
61.97327	0.3
61.98828	2.0
65.15718	0.3
70.46233	1.0
71.01378	2.7
72.99295	0.7
77.39485	0.3
79.95738	2.1
81.77177	0.3
83.21390	0.3
83.22584	0.3
85.02941	0.6
88.22952	0.3
88.98778	0.4
89.02448	2.0
90.97163	0.7
95.01411	0.3
96.96008	100.0
97.95923	0.4
98.95599	0.8
101.02433	1.8
105.01945	1.1
113.02449	1.1
115.04025	0.4
118.15684	0.3
118.96645	0.5
119.03465	0.7
123.04523	0.5
125.45900	0.3
132.98184	1.1
137.02487	0.5
146.96117	0.7
161.04539	0.5
170.99785	0.5
179.05595	0.9
206.91028	0.3
223.06044	0.5
323.13474	3.8
357.64996	0.4
361.08063	0.5
361.18820	0.9
379.09421	0.4
421.10217	4.1
422.10956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61034	1.8
57.03437	4.1
59.01102	2.8
59.01378	38.2
61.98827	31.5
70.02965	4.2
71.01398	13.6
71.05012	6.7
71.58334	2.5
85.02939	3.0
85.04053	2.8
87.05632	4.5
88.03980	1.6
88.98822	1.8
89.02431	6.2
99.04514	3.9
101.02423	7.9
109.02941	2.9
113.02440	3.0
115.00353	2.6
121.02924	3.5
128.03529	9.3
129.03839	3.4
130.03302	6.3
135.04488	3.0
143.07089	1.9
146.08218	39.7
149.02419	24.0
152.01146	4.0
157.06122	5.4
158.06482	3.0
161.04507	2.3
163.03935	5.2
164.03471	2.5
164.04787	22.3
169.05064	2.6
175.00308	7.4
179.07155	8.8
190.02708	26.2
191.03053	3.1
193.01402	7.1
197.07558	1.8
205.05058	41.9
206.05426	2.4
208.03757	32.0
217.11902	9.1
223.06108	100.0
224.06429	5.4
227.08202	2.5
241.05023	5.4
247.06017	4.8
277.09225	3.5
277.12234	52.6
278.12442	2.8
287.10751	2.7
377.18112	6.7
385.11377	32.5
386.11478	3.7
403.11176	2.3
421.16830	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
61.98822	1.0
65.03631	0.7
65.03959	7.7
65.49776	0.3
67.01884	3.3
70.08511	1.2
78.03497	0.8
91.01896	1.0
93.03424	0.5
98.19965	0.5
109.02946	100.0
110.03269	2.4
111.26006	0.3
114.45798	0.3
122.02479	12.5
122.03366	0.8
125.03607	0.5
135.00891	5.7
136.01224	0.5
137.02391	1.2
151.03943	0.3
153.01927	77.0
154.02249	2.5
162.94228	0.3
165.74315	0.3
186.51457	0.4
213.94327	0.3
225.42535	0.4
241.43442	0.4
420.09332	16.3
421.09543	1.9
421.20859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.3
58.26623	1.1
58.38492	1.0
59.01096	1.6
59.01369	13.2
61.98825	11.5
69.76127	5.8
71.01379	10.9
75.08704	1.2
82.02976	5.0
84.71301	1.0
85.02962	2.0
85.04073	37.4
86.02484	2.3
87.05633	12.6
88.04015	6.6
89.02425	2.9
93.23795	1.1
97.00526	1.0
98.94166	1.3
101.02428	2.8
108.02189	1.7
109.02956	2.8
109.04060	1.8
111.01984	2.9
112.02780	1.7
113.03568	3.3
115.99818	1.1
119.03484	1.1
127.05135	4.2
128.03539	71.9
129.03873	2.6
130.35574	1.3
133.06920	13.5
135.05600	5.8
141.11758	1.3
152.08289	8.3
153.01910	2.3
153.06625	2.7
157.06175	46.1
158.06458	1.9
159.07771	2.6
174.02283	1.3
178.06195	8.4
179.04602	8.7
184.04861	4.1
190.02693	1.2
196.07262	14.1
197.05667	2.3
205.05020	1.6
214.08241	1.8
224.10316	2.1
240.13196	3.1
250.69989	1.2
268.09381	11.0
286.10422	25.6
287.10776	2.0
291.13885	1.9
312.14078	1.6
322.08878	8.1
348.15927	1.5
367.90067	1.2
377.18051	4.2
402.17059	6.2
420.18094	100.0
421.18143	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	420.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24560	0.7
58.02945	1.0
59.01376	11.7
60.01702	1.1
61.98828	3.8
66.03483	0.8
68.38730	0.8
69.92562	3.3
71.01383	10.2
82.02982	5.2
85.04071	38.4
86.02483	1.9
87.05638	12.4
88.04041	6.6
89.02438	2.2
100.27318	0.9
101.02428	1.2
107.53258	0.8
109.02929	1.2
109.04064	2.3
111.01994	2.2
112.02792	1.1
113.03545	3.1
114.62794	0.9
116.52477	0.7
124.50880	0.7
124.60342	0.7
127.05140	5.7
128.03535	74.3
129.03854	2.1
131.79565	1.0
133.06921	13.2
135.05666	5.0
145.06219	1.3
146.08270	1.1
149.02443	1.0
150.06758	1.0
152.08311	7.5
153.06686	3.5
153.80496	0.8
157.06175	47.1
158.06497	1.8
159.07719	2.6
164.04805	0.9
178.06223	7.5
179.04591	8.9
179.06978	0.9
184.04898	4.2
185.05579	1.3
190.02736	1.2
192.29568	0.8
196.07257	17.1
197.05699	1.0
208.03708	1.2
214.08318	2.2
223.06100	5.1
224.10388	2.0
268.09375	12.1
277.12216	1.5
277.55624	0.9
286.10425	27.1
287.10721	2.2
291.13840	2.7
304.37051	0.8
312.13889	1.1
322.08926	4.3
348.16089	1.1
360.17343	1.1
371.55334	1.0
377.18295	1.5
385.11447	1.4
402.17099	7.0
420.18076	100.0
421.18042	10.9
428.45810	0.9
431.09357	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01712	0.9
61.98829	0.5
69.21380	0.3
69.21709	3.2
71.01379	1.5
71.94753	0.3
73.02950	0.4
77.73032	0.3
83.08925	0.3
85.02981	0.3
98.19793	0.5
101.02482	0.7
109.02956	1.6
115.00437	0.3
121.02990	0.4
135.04509	1.5
137.02533	0.4
147.04514	1.2
161.04588	0.5
162.05566	3.4
168.37428	0.3
175.52687	0.3
192.32578	0.3
239.07234	0.3
239.13965	0.4
257.08179	9.4
258.08408	0.6
272.25687	0.3
287.14929	0.8
304.68924	0.3
317.15997	0.5
328.19299	1.0
346.20313	1.0
419.13629	0.5
419.18976	1.4
420.23956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45812	0.6
57.53266	0.5
58.98866	0.5
59.01376	100.0
60.01709	1.2
61.98819	2.0
64.40512	0.6
71.56665	1.0
91.46741	0.6
117.39584	0.6
128.03474	0.6
151.46602	0.5
157.13881	0.6
419.25076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0768
Annotation	8'-Hydroxy-3-methoxy isodiospyrin
Peak:m/z	Relative Intensity
59.01373	4.2
59.95085	0.8
61.98827	1.3
67.60728	0.8
71.56033	1.1
71.56478	1.5
80.02659	2.7
85.08248	0.8
108.02169	51.4
123.04522	100.0
124.04836	2.9
135.64200	0.9
145.02998	1.5
164.15015	1.0
226.02682	17.6
227.03021	1.5
229.01372	3.1
241.05046	14.4
242.05388	1.4
253.19495	0.9
269.04327	0.9
285.05753	1.5
326.93271	1.0
376.49518	0.9
391.08270	6.1
419.07724	26.3
420.08008	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	419.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49855	0.2
59.01375	0.3
69.22589	2.2
72.63524	0.2
76.99447	0.2
80.02677	2.0
90.02234	0.2
93.54603	0.2
94.51115	0.2
98.19862	0.5
104.05405	0.2
108.02173	47.9
109.02505	0.9
123.04523	100.0
124.04845	2.8
135.75597	0.2
171.74275	0.2
211.04012	7.1
212.04298	0.4
239.03476	22.3
240.03831	1.7
254.05833	25.1
255.06161	1.9
266.02231	1.6
269.08167	14.1
270.08530	1.1
281.04474	0.4
298.12280	0.3
419.11343	12.2
420.11673	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41683	0.3
59.01378	100.0
60.01709	0.9
61.98835	1.3
63.89170	0.3
70.95158	0.7
71.01382	1.4
73.02929	0.5
93.97050	0.3
99.92352	0.3
101.02448	0.8
105.84626	0.4
109.02971	1.6
121.02962	0.4
135.04547	1.6
138.53723	0.4
147.04536	1.2
154.07289	0.4
162.05605	3.7
217.89409	0.3
239.07280	0.5
257.08185	10.0
258.08542	0.6
287.15024	0.7
328.19296	1.2
346.20303	1.4
409.72287	0.5
414.81674	0.5
419.13727	0.4
419.18954	1.7
420.24075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	1.1
59.01382	14.6
60.47931	0.7
61.98832	6.0
62.69309	0.8
69.35619	2.4
69.36036	3.1
71.01381	7.5
73.04049	0.9
76.62022	0.7
82.02975	3.2
85.04072	26.5
87.05640	8.2
88.04047	5.7
89.02436	1.4
96.96006	1.3
97.04041	1.1
101.02467	1.5
102.00190	5.0
109.04079	1.8
111.02032	1.0
112.04048	0.8
113.02482	0.9
113.03516	1.1
114.78876	0.7
115.00336	0.7
119.02808	2.4
127.05128	7.2
128.03540	64.2
129.03896	2.1
133.02963	1.0
135.05620	3.5
145.06168	3.0
152.08292	5.5
153.06696	2.5
157.06175	36.0
159.07726	2.3
161.04489	1.0
166.05070	4.9
166.06250	2.4
174.02269	11.4
178.06155	2.8
179.04550	4.9
184.04906	0.9
184.07260	2.3
191.04919	3.1
196.07277	8.9
214.08295	1.2
224.10429	0.8
239.07112	1.3
240.38156	0.8
242.11479	1.3
248.07010	1.8
249.06197	0.8
256.09351	1.0
257.08255	2.3
268.09360	3.8
286.10468	16.5
287.10883	0.8
291.05029	1.0
302.08026	5.4
320.09186	100.0
321.09515	6.1
359.17010	1.0
375.14804	0.7
380.28510	0.7
418.16718	1.6
419.15222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37793	0.5
59.01376	35.0
60.01694	0.8
61.98827	100.0
67.57198	0.4
70.20683	0.5
71.01376	4.6
71.58685	0.7
73.02956	1.5
78.20345	0.5
85.01029	0.4
85.02955	1.9
88.04031	0.5
89.02430	1.1
90.51281	0.4
99.00898	0.8
101.02431	3.3
102.05522	0.5
107.05028	0.7
113.02433	2.4
122.02467	1.2
128.03549	1.7
133.02937	0.6
134.03285	0.7
149.02383	0.6
161.04539	2.5
162.04906	0.9
163.00310	0.5
165.01880	0.7
172.92537	0.4
176.64862	0.5
191.04962	1.3
199.08780	0.6
253.09634	0.7
266.06982	1.1
269.10263	3.1
281.09290	3.5
285.03839	1.4
286.04477	1.8
297.03891	0.9
298.04279	3.4
299.05231	2.0
299.10373	0.6
300.05841	1.2
311.11475	1.1
312.05786	0.7
320.09344	0.6
327.05103	1.2
328.05392	6.3
340.05447	0.9
358.06439	5.6
358.15869	1.7
387.08307	0.8
400.07495	1.3
418.08600	8.3
418.17563	1.1
419.11008	5.6
419.15869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
61.98829	100.0
62.51693	0.4
66.80315	0.4
68.89898	0.4
69.52346	1.7
69.52764	1.1
83.83846	0.4
87.00867	0.6
98.19891	0.7
107.01408	0.6
115.71323	0.4
151.00348	1.4
153.02046	0.5
194.04320	0.5
203.10785	1.3
285.05988	0.5
349.99454	0.5
355.11816	0.9
365.34607	0.5
383.13229	0.8
385.14819	0.4
426.79614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31810	0.2
59.01374	3.5
61.98831	1.3
62.84655	0.2
70.73749	0.5
70.74099	0.3
71.01382	2.8
73.02959	0.7
78.03477	2.1
78.39306	0.3
79.85918	0.2
80.11481	0.3
83.01371	0.4
85.02951	0.7
87.00885	0.4
89.02428	1.3
91.45846	0.2
93.03460	0.4
94.02982	0.4
96.96005	2.7
99.00874	0.3
101.02442	1.9
108.02194	0.4
108.04541	0.7
109.02962	0.3
113.02435	1.6
119.03480	1.2
122.02474	100.0
123.02808	2.7
125.02452	0.4
128.03522	0.3
133.05074	0.4
136.04036	17.7
137.02423	1.0
137.04404	0.5
148.04005	0.4
149.02458	0.4
150.03223	0.3
151.03571	0.2
151.06131	3.1
152.01111	0.3
153.01779	0.3
161.04561	1.0
164.03516	3.2
165.05515	1.0
166.05847	0.6
197.08189	0.2
199.95587	0.2
224.05617	0.8
225.93547	0.4
284.07742	0.4
295.10205	0.4
306.64957	0.2
358.98462	0.6
418.13602	1.5
419.11737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03734	0.5
59.01377	100.0
60.01717	0.7
70.43691	1.8
71.01378	0.7
74.24371	0.5
82.81880	0.5
92.85165	0.5
101.99125	0.5
282.52982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04504	0.2
59.01376	100.0
60.01702	0.9
70.70898	0.4
71.01382	0.4
73.02946	0.3
74.68279	0.2
85.10676	0.2
89.02437	0.3
101.02468	0.2
103.69144	0.2
111.08151	0.4
125.09767	0.4
142.22585	0.2
155.32086	0.2
173.08215	0.2
187.09843	0.2
278.65579	0.2
289.59976	0.2
417.21548	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62538	0.9
59.01378	100.0
63.05021	1.0
70.86905	2.0
70.87250	1.0
73.76781	0.9
74.98353	1.0
91.08458	0.9
96.16824	0.9
147.85890	1.1
217.21785	1.0
235.97145	1.0
284.48422	0.9
353.30194	0.9
355.91217	0.9
391.75616	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23692	14.2
53.84192	14.2
59.01378	100.0
60.91553	16.6
61.98822	73.1
62.34963	15.1
69.47545	16.9
70.23322	37.9
71.01353	19.1
86.04711	14.8
88.10081	15.2
93.20063	14.3
121.02872	16.4
153.75343	21.0
184.19089	15.2
232.69930	19.0
241.48830	20.0
282.36716	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	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48812	14.9
54.07650	16.0
54.07902	15.9
59.01383	100.0
61.98825	63.5
62.40856	14.8
69.90955	33.0
69.91360	69.7
81.30025	16.7
98.20001	18.7
98.68265	15.6
121.23068	16.3
123.31736	14.9
143.09186	14.6
149.12315	13.0
184.08156	15.8
217.13280	15.5
281.24435	16.6
319.13022	22.2
346.08612	16.6
366.79471	15.8
417.09515	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	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.20274	17.6
71.55645	32.8
77.47565	23.2
88.18737	21.1
89.96131	22.8
95.73459	22.2
96.96004	28.4
101.03398	20.9
112.86391	24.8
115.70331	22.5
116.60253	18.2
267.02988	41.3
418.17636	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93439	14.4
54.55547	12.6
56.07175	12.2
59.01388	76.0
61.98822	28.7
68.20913	13.6
69.50164	100.0
79.95735	14.2
117.74871	12.1
167.47026	14.1
192.95901	21.0
270.30042	15.2
279.40540	14.7
354.79440	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.1
59.01377	100.0
60.01657	3.4
61.98814	7.2
64.55598	2.4
69.46256	22.2
71.01362	14.7
72.99310	17.1
75.00864	19.0
82.49409	3.1
83.20639	3.4
85.02934	5.3
89.02446	4.1
95.02486	9.6
98.19831	5.4
99.00861	13.1
101.02467	4.8
111.00887	3.9
112.98785	14.2
113.02444	4.4
115.00349	6.1
119.05050	17.2
121.02948	76.2
140.01149	2.7
142.99823	25.1
156.00624	4.4
157.10858	3.0
163.03979	12.8
173.00932	20.5
174.01669	46.8
175.02446	4.2
183.13850	3.9
187.63974	3.0
207.13766	3.3
209.04530	14.8
210.79146	2.9
211.13365	26.0
224.65346	2.8
232.89746	2.9
249.11273	3.1
267.12302	9.9
285.07584	11.0
307.11871	17.3
329.06528	6.6
337.18347	9.3
349.12750	6.1
364.52768	3.3
367.13916	68.1
385.14990	4.3
417.08154	58.9
417.15366	10.3
418.08606	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	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01700	1.8
60.78574	1.0
64.53387	1.0
69.36144	7.8
71.01369	3.4
72.99316	2.4
73.02944	1.0
75.00861	1.6
77.95698	0.9
81.48628	1.1
83.01373	1.3
99.00873	5.8
112.98813	8.9
115.00343	1.4
117.25196	1.1
124.98758	1.4
142.99847	13.4
155.69870	1.2
156.00632	1.0
165.12776	1.0
173.00916	9.6
174.01689	26.1
175.02454	2.8
193.12331	1.9
211.13420	11.8
223.13361	2.8
233.11980	1.3
237.11076	1.3
263.12820	1.8
265.10742	1.3
267.12347	3.6
283.33734	1.1
305.13812	1.1
307.11960	7.2
325.12769	2.5
349.12848	3.2
367.09570	1.9
367.13947	31.8
368.14313	2.3
385.15073	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	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72555	0.5
55.01875	1.1
57.03441	0.8
58.00592	1.0
59.01375	100.0
59.97607	0.6
60.01736	0.6
61.98830	5.7
63.81063	0.6
66.53316	0.6
71.01375	32.5
71.02486	1.1
72.99323	1.5
73.02937	4.5
73.04083	1.8
75.00854	0.7
82.03001	1.2
83.01407	1.8
85.02951	8.4
85.04063	7.5
87.00880	1.8
87.05650	1.9
88.04060	2.2
89.02436	27.2
95.01395	2.1
97.02998	0.6
99.00890	2.5
101.02434	18.9
101.03100	1.2
102.00217	0.8
103.05153	2.5
109.04121	0.7
111.10780	0.5
112.04049	1.3
113.02445	14.5
118.58213	0.6
119.02697	0.6
119.03496	11.4
127.05169	2.2
128.03529	17.9
130.08720	5.1
131.03481	1.2
135.05673	1.0
141.10379	0.6
141.38329	0.6
143.03494	2.8
143.11885	5.3
145.06256	0.7
146.48511	0.6
149.04523	1.4
152.08292	1.3
157.06172	12.1
157.07339	1.0
159.03015	2.0
159.07779	0.9
161.04536	26.3
166.02879	0.8
166.05074	16.1
169.09856	1.4
174.02269	3.1
177.09233	4.3
179.05719	7.6
184.07384	0.9
187.10938	1.1
191.04996	1.0
195.06616	0.6
195.10271	2.4
196.07330	1.4
205.03520	0.7
217.11829	0.6
256.13065	0.7
256.20306	4.3
268.09418	1.8
286.10446	5.0
294.83264	0.6
302.08286	1.5
313.22458	1.9
320.09171	29.1
357.15503	32.5
358.15787	3.6
387.22433	6.7
417.17630	1.9
417.23398	9.7
418.17117	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	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38390	0.6
55.01884	1.1
57.03447	1.4
57.98046	0.6
58.00599	1.8
59.01378	100.0
60.01710	1.5
62.96925	0.6
69.03444	0.9
69.93974	2.5
71.01380	36.1
72.99314	2.7
73.02943	43.5
83.01385	13.0
84.13542	0.5
85.02952	8.9
87.00861	1.4
89.02440	15.3
91.01903	4.7
93.03481	0.8
95.01394	1.5
96.96035	1.5
97.03005	0.7
97.85893	0.5
99.00887	1.5
101.02439	44.4
102.02792	0.8
111.08166	0.7
113.02443	12.6
113.03163	1.1
114.02750	0.7
119.03601	5.4
119.05018	29.5
120.05351	0.9
125.02464	2.3
126.03223	0.6
131.03522	2.4
135.00883	12.5
136.01297	0.7
143.03532	3.0
143.96878	0.6
149.04552	3.6
153.01933	3.8
155.03358	1.2
161.04559	10.2
162.04810	0.8
177.09201	2.8
179.05638	0.7
195.10291	1.0
203.05565	1.1
221.06758	0.8
254.05797	0.9
255.06606	33.1
256.06964	2.5
297.03967	0.6
313.16806	0.9
331.17657	6.6
357.15460	1.5
375.16623	1.6
397.20569	0.7
399.16632	7.6
400.16547	0.7
417.12680	2.1
417.17615	52.6
418.17877	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	417.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36949	0.8
58.00588	1.4
59.01372	11.7
61.98822	2.9
65.39143	0.9
66.04089	0.8
69.04910	0.8
70.30660	3.1
71.01381	2.3
71.69925	0.8
75.00878	1.4
85.02951	1.0
87.00877	7.5
93.03429	1.2
95.01387	1.7
96.96011	2.6
101.02435	1.2
108.02161	1.7
109.02937	1.5
121.02934	2.5
122.02480	1.1
122.03709	1.8
123.04529	1.7
125.02466	1.1
137.02443	2.1
137.06110	0.9
141.01970	1.9
145.02948	3.2
146.03680	1.6
147.04492	1.2
149.02438	37.1
150.03232	52.0
151.03607	2.1
152.01175	2.7
153.01984	1.2
161.02458	3.5
162.03265	4.5
163.04001	1.4
164.04803	14.4
165.05566	100.0
166.05878	3.3
177.05556	2.7
180.04260	3.1
195.06616	28.5
196.06996	1.0
283.66629	0.8
309.09589	1.4
358.45984	0.9
369.11700	3.3
417.10318	3.0
417.14850	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	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47091	0.5
55.01869	1.5
57.03459	1.6
59.01377	100.0
60.01712	1.3
61.98828	39.0
63.48453	0.6
69.03497	0.5
71.01378	27.4
72.99327	0.6
73.02945	8.3
75.00880	0.9
77.88851	0.5
80.14354	0.6
83.01389	3.8
85.02946	12.1
87.00886	1.6
89.02446	4.3
90.48473	0.6
93.03487	0.6
95.01398	1.6
96.96012	2.0
97.02934	0.7
99.00858	3.7
101.02441	17.6
103.13136	0.7
109.02973	0.8
113.02448	11.6
119.03524	1.5
122.06094	0.7
125.02475	0.9
126.11518	0.6
129.02000	0.7
131.03477	0.6
133.02939	4.3
134.03661	0.7
137.02443	1.3
139.07654	3.2
143.03535	1.8
149.02408	1.0
151.05183	0.8
159.02986	2.9
161.04553	32.4
162.05064	0.7
163.00383	1.0
165.01939	0.9
165.09190	3.6
169.06219	0.7
175.04076	0.9
177.02052	1.0
191.03403	0.6
195.10272	1.3
198.03401	0.5
213.11380	0.9
229.24425	0.7
253.05151	0.6
269.04422	0.7
269.10043	0.8
269.13962	1.7
284.03360	1.8
285.03979	5.2
297.04034	9.0
298.04755	6.9
299.05551	3.4
311.05670	2.1
319.05997	1.2
324.02615	1.1
327.05072	16.6
327.08963	0.8
328.05286	1.5
339.05096	2.1
357.06158	14.5
357.15509	20.0
358.06689	1.3
358.15851	1.6
373.70505	0.6
399.07358	3.6
399.16504	1.3
417.08261	20.3
417.17389	6.5
418.08597	1.7
436.59561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.4
57.03447	1.3
58.00603	0.9
59.01377	88.6
61.98827	85.1
65.00314	1.3
69.40473	0.8
70.88817	0.8
71.01376	21.2
71.56425	1.5
72.99291	1.2
73.02937	6.9
77.03980	0.9
79.01875	0.9
81.03484	0.8
83.01392	3.0
85.02956	10.0
87.00831	1.2
89.02430	6.2
95.01393	2.6
96.96003	2.6
97.02954	1.3
99.00893	2.2
101.02437	14.7
105.03521	1.1
107.05032	2.0
108.04553	1.2
109.02940	3.0
113.02451	11.4
119.03493	2.8
121.02913	2.5
121.03777	0.8
133.02942	21.1
133.03894	1.5
134.03668	1.4
135.04529	1.2
137.02402	2.0
143.03468	1.8
149.02426	1.3
151.00356	1.4
151.03947	1.1
151.05130	0.9
159.02939	1.3
161.02548	4.2
161.04552	18.9
163.00330	5.1
163.03992	4.2
163.77776	1.1
165.01952	2.2
165.09160	2.8
166.02660	1.2
169.06259	1.2
175.04010	5.1
177.01875	1.5
191.03401	1.3
193.01526	1.6
199.04016	2.4
201.01883	2.2
203.03510	2.0
213.05556	1.6
221.04504	1.1
225.05545	2.1
227.03574	1.6
239.06882	1.1
241.04962	2.4
251.03430	1.2
253.04965	2.4
255.02924	2.4
255.06656	2.7
267.06519	1.2
269.04456	4.1
269.10284	2.9
269.13937	1.2
284.03241	11.2
285.04041	24.1
286.04327	2.3
297.04022	42.5
298.04745	29.9
299.05521	18.0
300.05777	1.6
309.04153	1.1
311.05637	8.6
311.11258	1.1
312.06042	1.2
319.05923	2.1
324.02646	3.4
325.03571	2.1
327.05066	82.6
328.05374	6.8
339.05023	11.3
341.06537	2.1
353.06744	1.3
357.06131	79.7
357.15402	13.8
358.06482	7.8
358.15738	1.5
363.04868	1.8
369.05942	2.2
375.16446	1.4
381.06375	3.6
382.06769	1.1
387.07019	1.0
399.07193	20.1
400.07495	1.7
417.08246	100.0
417.16733	12.0
418.08664	9.9
418.17453	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	417.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00333	1.2
56.10659	1.0
57.90771	0.9
59.01373	5.1
61.98807	1.2
65.99849	13.4
68.01402	9.4
68.99818	3.3
69.89454	0.9
70.01199	4.5
70.02981	1.3
70.81796	0.9
71.01382	11.4
72.99302	1.6
73.02945	3.3
75.00868	5.5
78.95890	2.6
79.81054	0.9
82.02995	1.5
83.01384	1.1
85.02956	2.3
87.00871	4.0
88.98808	2.6
89.02442	19.6
93.03485	1.2
94.02974	2.1
96.00910	15.8
96.96035	2.0
96.96964	2.6
96.99310	3.4
99.00872	51.4
100.00406	1.0
101.02440	1.3
103.03963	1.1
110.02479	9.3
111.00854	1.6
111.01981	5.2
112.00364	1.7
112.04046	1.5
112.98808	2.0
113.02431	1.3
114.01957	3.8
115.00347	1.4
122.02484	2.8
124.00397	100.0
124.04029	1.4
125.00748	2.8
126.01964	6.1
127.00393	1.1
128.03534	1.1
129.01930	1.8
130.05089	1.6
131.03487	5.0
135.03012	3.8
138.01938	2.8
139.01491	3.0
139.99889	3.1
140.03531	4.2
141.28323	1.0
142.99863	4.3
145.01401	2.1
149.04544	76.5
150.01964	4.5
150.04866	2.3
151.01485	1.8
151.99945	1.2
152.03510	1.9
153.03065	1.3
159.02977	44.5
162.01984	1.2
164.03520	3.1
166.01430	4.7
169.02527	16.3
170.00943	1.6
173.00882	1.4
174.04091	3.6
177.03030	1.5
178.01459	3.3
180.02994	2.5
180.06630	3.1
184.02509	53.1
185.02789	1.9
196.02501	2.7
200.05623	6.7
209.02036	1.6
221.02049	1.9
222.00435	19.2
223.00932	1.1
223.03603	2.0
235.03539	2.0
239.03090	2.5
242.03098	2.5
243.06168	10.4
256.04541	1.4
267.02554	7.3
277.04813	1.8
281.04187	3.0
282.02545	42.6
283.02811	3.6
283.05637	2.6
295.05698	3.1
297.03522	3.0
299.05179	42.6
300.05600	2.2
309.03659	4.5
311.05112	1.3
327.04605	25.5
328.04697	1.3
337.06717	1.6
355.08029	1.7
399.06854	6.1
399.15216	1.2
417.07861	42.0
418.08191	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	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58362	2.3
59.01376	100.0
70.13068	10.7
73.02934	3.3
80.49355	2.8
89.30518	2.6
101.02435	6.6
108.71859	2.7
118.19608	2.8
119.53672	2.3
161.04480	6.1
185.09421	2.8
213.12622	2.9
231.80602	2.4
241.92981	2.3
253.21703	14.1
254.21985	3.1
415.32266	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	416.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
58.07867	0.3
59.01377	100.0
60.01712	11.4
61.01800	1.8
61.98832	0.4
65.82023	0.3
69.03492	0.3
69.47711	1.1
69.48135	0.7
70.31590	0.3
71.01380	6.8
72.01735	1.0
72.99316	0.4
73.02941	1.8
73.82005	0.2
74.02484	0.3
75.00880	0.5
81.18799	0.3
83.01398	0.9
85.02946	3.0
86.03286	0.4
87.00893	0.4
89.02436	3.6
90.02749	0.3
95.01398	0.4
96.96024	0.8
99.00896	1.1
101.02439	5.1
102.02793	1.0
113.02443	2.6
114.02785	0.5
119.03501	1.3
123.30892	0.3
147.80254	0.2
151.11295	0.3
159.02957	0.3
161.04552	2.1
162.04936	0.5
179.05621	0.4
195.08177	0.3
211.13554	0.4
237.34006	0.3
240.04344	0.5
255.06674	0.5
263.88394	0.3
374.22650	3.4
389.48633	0.3
416.10684	0.4
416.26730	0.3
417.21259	0.9
417.25204	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.35207	0.3
56.26036	0.4
57.03462	0.5
59.01376	100.0
60.01709	1.2
62.96967	0.4
63.47515	0.5
71.01376	4.4
71.05062	0.4
73.02933	2.1
73.36150	0.4
73.41499	0.4
75.00866	1.0
83.01392	0.6
85.02961	1.6
89.02423	2.3
95.67474	0.4
96.96011	9.7
96.96604	0.7
98.19902	1.3
101.02438	3.9
113.02447	2.2
117.52221	0.4
119.03513	1.0
123.22610	0.4
129.42805	0.4
147.02989	0.5
149.04495	0.4
154.39606	0.4
160.61476	0.4
161.04588	1.3
165.04076	0.7
223.13353	2.9
267.06772	0.9
267.12488	1.6
295.06192	1.1
296.44693	0.4
373.22406	1.7
415.10880	0.7
415.16122	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	415.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03452	0.4
59.01377	100.0
60.01713	1.3
69.59667	1.4
69.60078	0.8
71.01378	11.1
72.99319	0.4
73.02940	3.3
77.13412	0.4
78.16325	0.4
82.85080	0.3
82.97043	0.4
83.01401	1.1
85.02956	3.1
87.00851	0.6
87.27211	0.4
89.02441	7.3
89.02937	0.6
89.85369	0.3
95.01404	1.1
99.00913	0.8
99.30033	0.3
101.02438	6.6
110.24673	0.3
113.02431	4.5
115.04101	0.3
119.03482	2.3
125.02460	0.4
141.59871	0.4
142.60558	0.4
143.03520	0.7
154.44481	0.3
159.02951	0.4
161.04514	3.3
167.10825	0.5
168.40991	0.4
196.81277	0.4
211.17093	0.8
355.21396	1.4
373.22269	10.5
374.22870	1.2
393.65326	0.4
415.16458	0.7
415.23450	1.3
422.99387	0.4
423.13370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28254	0.2
53.05096	0.3
55.78018	0.2
59.01377	100.0
60.01718	0.8
69.41827	2.0
69.42216	0.4
71.01381	3.0
73.02932	1.3
77.50922	0.2
83.01390	0.6
85.02954	2.0
89.02449	0.8
96.96030	0.4
98.20663	0.4
99.00890	0.3
101.02451	2.4
113.02464	1.5
159.02963	0.3
161.04553	1.6
183.77229	0.3
186.68361	0.2
280.23181	0.2
373.22275	1.8
415.16275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
57.03443	0.3
59.01376	100.0
60.00254	0.3
60.01715	1.0
64.89481	0.3
69.53249	1.8
71.01378	3.2
73.02961	1.1
79.14339	0.3
79.75256	0.3
82.68056	0.4
83.01383	0.4
85.02953	1.4
89.02457	0.9
96.96041	0.4
99.00905	0.5
101.02423	2.2
113.02447	1.3
119.03586	0.4
147.03293	0.3
161.04535	1.6
291.17407	0.3
298.63843	0.4
373.22345	1.8
415.16467	1.0
438.92270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03461	0.4
58.00577	0.8
59.01374	100.0
60.01704	1.0
69.94837	1.5
71.01377	9.1
71.05038	0.4
72.99285	0.5
73.02934	2.9
83.01402	0.8
85.02946	2.6
89.02442	6.8
95.01398	0.9
98.20560	0.5
99.00881	0.5
101.02438	6.5
113.02446	4.3
119.03496	2.0
133.09601	0.3
143.03532	0.7
150.71336	0.3
158.01291	0.4
159.03008	0.5
161.04544	3.9
178.36145	0.3
179.05786	0.4
211.17163	1.1
355.21423	1.4
373.22253	10.5
374.22763	1.3
415.23587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
57.03416	0.3
59.01376	100.0
60.01706	1.2
71.01374	5.0
72.99319	0.2
73.02943	1.6
83.01397	0.6
85.02950	2.5
87.00887	0.3
89.02439	1.8
95.01398	0.6
99.00902	0.5
101.02438	3.1
103.06045	0.2
109.34813	0.2
113.02454	1.8
119.03510	0.6
143.03499	0.2
159.02980	0.2
161.04549	1.2
178.08731	0.2
179.05678	0.4
179.07143	0.5
253.05063	0.6
267.37796	0.2
287.66415	0.2
334.39468	0.2
373.22235	1.7
415.10416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56663	0.5
59.01379	2.0
62.34710	0.5
70.78936	1.0
70.79256	0.7
74.99094	5.8
76.84385	0.5
77.00663	75.5
77.10531	0.5
78.01012	0.8
80.84660	0.5
147.08162	2.6
149.09709	1.7
161.09718	0.6
163.11270	2.8
187.11264	2.3
257.64804	0.5
277.97238	0.5
279.14001	0.6
280.14639	1.3
307.16916	1.0
309.22174	2.1
322.19409	1.1
337.21707	100.0
338.22046	10.9
415.23071	16.7
416.23444	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	415.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.0
58.02964	0.5
58.70765	0.3
59.01376	13.2
60.01704	0.4
61.98803	0.6
65.00333	0.3
69.03450	0.4
70.02976	8.6
71.01376	5.2
71.02485	2.9
71.58816	0.5
72.00902	2.5
73.02962	0.5
75.00860	0.8
77.03958	2.4
79.01895	1.5
82.62083	0.3
83.01388	0.4
85.02946	1.3
86.02470	0.4
87.00826	0.4
87.05628	0.3
89.02435	4.2
93.03497	0.5
95.02511	7.3
96.00907	17.8
96.95998	3.6
99.04507	0.5
101.02453	2.1
105.03465	0.9
105.99489	0.3
107.01408	0.5
111.02008	3.3
111.08155	1.1
113.02464	1.8
113.03568	41.9
114.01962	30.9
114.03880	0.7
115.02303	0.6
119.03486	1.4
119.05018	1.2
119.87211	0.3
121.02955	2.8
122.02500	1.3
129.01962	0.7
131.04616	100.0
132.05009	1.7
137.02444	0.4
143.05017	1.8
145.02925	1.8
147.02954	0.3
149.02428	2.0
152.03526	0.6
157.06543	0.5
160.61850	0.3
161.02521	0.5
161.04523	0.8
163.03976	0.4
165.04053	1.5
165.12825	10.0
166.13118	0.5
179.03415	0.4
179.05588	0.6
181.06522	0.6
187.03995	0.7
195.08142	0.8
199.07587	0.5
208.13356	0.4
209.11795	0.9
223.07658	1.9
223.13301	1.9
226.14482	5.3
227.07178	0.4
227.14943	0.5
235.13333	2.0
253.05107	1.0
267.06589	29.9
267.12430	1.4
268.06937	1.8
277.05151	1.1
279.06741	0.5
286.64877	0.4
293.04681	0.6
295.06082	37.1
296.06409	3.0
297.18161	0.5
307.06247	0.9
323.16278	0.9
325.07117	0.9
341.17276	0.6
373.93335	0.3
397.19785	4.3
398.19873	0.4
415.10440	29.8
415.16632	1.7
415.20773	45.6
416.10696	3.4
416.21130	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	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	1.4
61.01807	0.6
61.75720	0.4
66.13323	0.4
66.81576	0.4
69.53756	0.7
69.54169	1.8
70.55359	0.4
71.01385	3.5
73.02949	0.6
83.01392	0.6
85.02968	1.1
87.00858	0.5
89.02459	1.6
101.02452	1.7
113.02498	1.2
115.00388	1.1
119.03513	0.7
126.37706	0.4
151.66144	0.4
161.04590	1.3
161.38185	0.4
163.04001	2.8
175.02531	1.2
178.06364	3.3
179.05638	0.4
193.08682	4.7
206.34767	0.4
332.54456	0.4
362.35269	0.4
381.68167	0.5
415.10593	1.0
415.20071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	1.5
61.01810	0.4
62.87543	0.3
69.29477	3.3
71.01381	4.1
73.02956	1.5
74.38139	0.3
83.01405	0.5
85.02943	1.6
87.00898	0.4
89.02412	1.6
96.96014	3.3
99.00888	0.6
101.02445	3.8
113.02451	2.0
119.03513	0.5
161.04533	2.3
163.04022	1.5
164.44719	0.4
178.06364	1.4
193.08687	2.9
307.17209	0.4
311.05704	0.3
324.58096	0.4
373.22263	1.6
415.15891	4.4
415.23828	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20591	0.5
59.01379	2.1
60.33004	0.4
61.98825	0.7
71.01375	0.5
71.13115	1.0
79.85104	0.4
91.01885	0.8
115.61505	0.5
122.02568	0.5
132.02164	7.0
135.00874	2.5
153.01929	0.4
167.03525	0.7
180.05812	0.5
195.04459	5.2
196.05206	0.9
201.23599	0.4
208.05301	3.7
209.04395	0.7
223.03992	15.5
224.04710	4.8
225.05482	0.6
251.03468	12.4
251.17410	0.5
252.04253	95.2
253.04939	25.9
254.05304	1.3
267.06552	5.0
267.09116	0.6
268.07153	0.6
277.05029	0.6
284.37823	0.4
295.06140	3.6
325.07092	0.5
343.57291	0.5
370.17685	0.5
387.56149	0.5
415.10315	100.0
416.10611	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	415.1034
Annotation	Puerarin
Peak:m/z	Relative Intensity
52.94867	0.3
55.84011	0.4
59.01377	11.5
61.01746	0.3
61.98806	0.3
69.19206	0.9
69.19621	2.7
71.01374	1.8
75.00842	1.2
77.03966	6.6
79.01883	3.2
83.01358	0.4
85.02944	1.0
87.00865	0.6
89.02461	1.6
93.03448	1.1
101.02431	1.1
101.03955	0.8
105.03430	2.5
107.01376	1.0
113.02415	0.6
115.68853	0.3
117.03393	0.4
119.05029	3.2
121.02950	6.0
121.03775	0.6
127.06121	0.3
133.02930	0.4
143.05019	5.3
145.02940	5.1
147.02963	0.4
149.02441	6.6
151.03993	0.5
157.06578	0.8
161.02446	1.1
165.01892	0.9
165.04016	2.2
167.08580	0.5
167.19545	0.3
175.00366	0.6
179.03423	1.1
180.05704	0.4
181.06532	1.1
187.03984	1.9
190.02754	0.4
193.06554	0.8
195.08197	2.4
197.06027	0.8
199.07587	1.6
208.05298	0.5
223.07677	5.1
223.13379	2.3
224.04590	0.5
224.07895	0.5
225.05608	0.8
227.07149	1.0
239.07077	0.7
248.04796	0.4
251.07016	0.6
252.04311	0.8
253.05107	2.2
259.48462	0.4
265.04926	1.0
267.06601	84.4
267.12332	2.2
268.06937	7.2
277.04996	3.9
279.06564	1.0
293.04532	1.2
295.06088	100.0
296.06433	10.2
298.04800	0.9
307.06131	3.0
325.07199	3.6
406.83084	0.4
415.10330	78.1
416.10580	9.5
416.16159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35240	1.2
59.01376	100.0
70.85763	1.1
70.86071	2.6
140.72781	1.0
150.54224	1.0
181.83853	1.0
213.76222	1.3
229.54819	1.2
262.77032	1.1
278.64276	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	413.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46071	0.6
59.01377	100.0
60.01719	0.6
71.01176	1.1
102.90675	0.6
338.82489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.8
60.01705	0.3
61.98827	100.0
63.53705	0.3
63.99890	0.3
67.27674	0.3
69.50314	2.1
71.01381	0.7
73.02953	0.4
82.35865	0.3
85.02948	0.4
89.02432	0.6
96.95990	0.4
101.02462	0.9
113.02453	0.3
118.96626	0.3
121.02971	0.5
130.16719	0.3
133.97841	0.3
207.13924	0.4
219.13947	0.4
233.11751	0.4
247.13477	1.1
291.12402	1.2
357.06427	0.5
415.23383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09240	0.2
51.74569	0.2
55.01874	0.6
57.03441	0.6
58.00589	0.3
59.01374	100.0
60.01703	1.0
61.98852	0.2
62.33851	0.2
64.76360	0.2
69.88518	0.9
71.01373	6.4
73.02941	3.5
83.01384	1.1
85.02939	2.8
87.00871	0.3
89.02428	1.3
97.02906	0.4
98.19984	0.4
99.00885	0.7
101.02428	5.1
103.84384	0.2
111.00842	0.2
113.02436	2.8
119.03507	0.4
131.03549	0.3
137.09676	0.2
143.03467	0.4
148.31953	0.2
159.03046	0.3
159.90501	0.2
161.04547	1.7
209.15527	1.0
238.84474	0.2
260.74042	0.2
278.09286	0.2
290.17709	0.2
353.19708	1.2
371.20694	4.9
371.24988	0.3
372.21072	0.6
404.59207	0.2
413.08817	0.3
413.21823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14449	0.8
51.23304	0.9
59.01376	100.0
60.01688	1.2
70.87234	2.5
71.08561	0.9
71.98984	0.9
75.88182	1.0
89.00173	0.8
114.45901	0.9
134.75978	0.9
135.27415	1.0
174.89833	0.8
235.04053	1.0
356.12686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.33833	0.6
60.01677	0.8
68.41029	0.6
69.50071	1.3
69.50479	3.6
75.08163	0.6
84.12916	0.7
95.80350	0.7
98.20616	1.4
108.74490	0.7
117.14966	0.7
162.20798	0.8
225.74910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80139	0.4
78.95895	5.4
79.95731	2.5
85.27709	0.3
93.98627	0.3
96.96009	100.0
96.96915	9.7
99.67850	0.3
123.04530	1.7
149.86818	0.3
153.05559	3.2
192.11610	0.3
202.79826	0.4
209.01309	0.7
221.01379	0.4
251.02408	2.1
264.61642	0.4
315.10895	0.5
369.60159	0.4
413.07532	1.2
436.63022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01716	0.7
68.09322	0.2
69.20690	1.7
69.21108	0.6
71.01379	3.5
73.02948	2.0
83.01397	0.7
84.61305	0.2
85.02951	1.2
89.02445	2.7
95.01379	0.4
98.20641	0.6
101.02429	2.8
113.02441	1.7
119.03507	1.0
125.02451	0.3
147.54994	0.2
161.04544	0.6
169.78517	0.2
179.05655	0.6
268.03891	0.3
269.04642	0.5
389.77158	0.3
413.08841	0.3
427.94931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.2
59.01375	100.0
60.01707	0.9
60.97330	0.2
61.98826	0.3
66.00879	0.2
70.38657	0.2
71.01377	2.2
73.02946	0.9
75.70032	0.2
79.09854	0.2
83.01429	0.3
85.02945	0.8
89.02451	0.6
96.96011	0.2
98.19887	0.6
99.00890	0.3
101.02430	1.6
113.02432	0.9
119.03482	0.4
128.02075	0.2
143.03514	0.2
161.04601	0.7
165.12807	1.3
179.05637	0.2
181.53902	0.2
191.14474	0.7
209.11621	0.2
209.15544	0.6
251.13177	0.2
371.20786	0.5
401.61603	0.2
413.08917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
59.01376	100.0
60.01713	1.1
69.38370	2.2
69.50275	0.2
71.01367	2.7
73.02956	1.1
75.39920	0.2
83.01395	0.4
85.02952	1.4
89.02464	0.7
90.40072	0.2
95.01421	0.4
101.02431	2.0
113.02465	1.2
119.03499	0.8
161.04594	1.1
165.09264	0.3
165.12856	2.7
179.05829	0.3
191.14430	0.7
194.68097	0.2
209.08240	0.7
209.15491	0.6
371.20898	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.4
59.01376	100.0
60.01712	0.9
69.40163	3.0
71.01373	4.8
73.02936	2.6
85.02954	0.8
88.62062	0.4
89.02442	3.2
101.02428	3.4
105.82965	0.3
113.02401	1.7
119.03510	1.5
124.30608	0.3
161.04617	0.6
179.05597	0.5
241.33401	0.4
255.03049	1.5
276.12747	0.4
283.02527	1.3
297.04187	0.9
298.04776	0.5
303.58115	0.4
398.06509	0.6
413.08722	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	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09546	0.4
53.34218	0.4
54.79908	0.5
57.03449	1.0
58.00581	0.9
58.07167	0.5
59.01376	100.0
60.01710	0.9
69.28373	1.1
69.28786	3.0
71.01380	21.6
72.99322	0.9
73.02943	28.5
73.13695	0.5
75.00880	0.8
76.04449	0.4
83.01386	6.4
85.02955	4.1
87.00876	0.9
88.12894	0.4
89.02436	9.0
90.76739	0.4
95.01395	1.1
97.02957	0.7
99.00902	0.6
101.02436	26.3
102.02718	0.7
113.02440	10.6
119.03490	3.2
125.02475	1.3
127.48839	0.5
131.03520	1.8
137.09709	8.2
143.03500	1.6
144.35461	0.5
149.04590	1.2
155.03487	1.1
161.04527	3.8
179.05624	1.3
185.10619	0.4
189.12816	1.2
203.05624	0.5
230.94731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.2
61.98822	25.0
69.42094	3.6
70.13223	14.8
71.01336	3.4
75.00864	51.4
78.30595	3.3
89.02455	9.1
99.00830	4.0
110.94293	3.7
114.62173	4.0
117.92151	4.1
121.10233	22.6
135.03011	57.8
171.10287	43.2
231.21094	5.2
275.20114	90.0
276.20477	7.8
293.21228	100.0
294.21460	12.0
301.39777	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	411.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03934	0.3
59.01377	100.0
60.01707	1.2
61.98825	1.8
71.01376	5.5
72.99313	0.4
73.02953	1.4
75.00890	0.4
82.95443	0.3
83.01372	0.4
85.02966	0.9
89.02441	3.7
96.96045	0.5
97.87674	0.3
99.00894	0.4
101.02445	1.8
113.02472	1.5
119.03529	1.1
131.03502	0.4
131.37531	0.4
143.03488	0.5
161.04483	0.5
179.05611	0.6
369.19308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.2
57.03459	8.1
58.00573	2.6
59.01387	10.1
61.98827	3.7
69.78615	7.5
71.01383	14.2
72.99297	3.2
78.95903	12.5
83.01382	64.3
84.01711	1.8
85.02950	5.9
87.00869	2.4
87.04510	9.2
88.98779	1.9
89.02425	3.0
93.03442	4.4
94.54518	1.3
96.96008	27.9
96.96957	23.2
99.00873	6.9
101.02437	3.8
103.21976	1.8
107.71246	1.5
111.00864	6.3
112.98803	14.6
113.02389	1.9
115.00359	2.7
127.00385	22.6
129.01959	1.8
135.04523	1.7
137.02470	8.6
142.99825	5.9
144.03049	1.8
145.01422	3.0
159.02979	100.0
160.03331	2.9
161.04472	2.0
163.04070	2.4
165.05591	4.0
173.00876	7.0
175.02426	3.4
181.05045	2.6
195.06668	2.0
211.06075	8.2
249.12332	2.7
299.07578	2.1
398.21744	1.6
411.10263	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	411.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.4
57.03447	8.7
59.01377	11.2
61.98819	6.3
70.92077	3.2
70.92426	2.4
71.01382	12.0
72.99284	2.2
73.28996	1.4
78.95906	14.0
83.01384	70.4
83.01889	3.5
84.01734	1.5
85.02935	7.5
85.55486	1.4
87.00869	2.5
87.04499	8.9
88.61762	1.6
89.02435	2.9
93.03450	6.1
96.96018	34.0
96.96947	22.1
99.00893	4.3
101.02438	3.2
108.43627	1.5
111.00854	3.8
112.98808	12.4
113.02407	2.7
115.00350	3.8
118.05067	2.1
121.88428	1.6
123.04549	1.7
127.00365	19.1
129.01888	3.8
137.02422	8.0
142.99875	3.6
143.36488	1.7
145.01485	2.3
145.05070	2.2
150.03172	2.3
159.02972	100.0
160.03383	3.3
161.14861	1.4
161.86461	1.5
165.05501	3.5
173.00880	5.9
181.05081	3.2
185.01392	1.5
189.01646	1.9
195.06660	2.7
211.06134	7.5
249.12424	4.2
327.10696	2.6
330.13345	2.1
436.62164	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	411.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20378	1.2
54.60261	1.1
57.03446	100.0
57.29698	1.1
58.03775	1.8
59.01379	11.8
61.98795	1.7
71.01371	4.0
71.29453	1.1
78.31721	1.1
80.87236	1.3
81.03455	7.0
89.02436	1.8
97.49837	1.3
99.04512	43.3
101.02444	25.2
108.65501	1.2
113.02425	2.3
121.02934	1.7
125.02450	9.5
129.38405	1.2
134.03729	56.3
136.01706	1.5
137.02417	4.2
147.04547	1.5
148.23053	1.4
149.06081	36.2
178.02708	15.1
192.04228	2.5
193.05038	54.2
194.05470	3.3
216.07883	1.5
231.10236	6.0
249.07680	5.2
267.08704	41.4
268.09000	2.9
274.46887	1.2
309.09753	17.1
349.12823	13.0
411.16507	11.3
411.22183	3.0
412.16751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01380	9.4
69.66228	1.1
69.66585	2.9
71.01382	1.4
71.92713	0.6
73.02970	0.6
74.73692	0.5
80.13970	0.5
97.43136	0.5
107.64716	0.5
110.10193	0.5
118.91055	0.5
121.02967	1.1
147.04512	1.5
148.05295	100.0
149.05641	4.1
163.07635	88.5
164.08005	4.0
192.11560	0.7
207.13916	5.4
356.91409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77495	0.9
57.03446	72.5
58.03767	1.6
58.36584	1.0
59.01374	13.1
60.65525	0.9
69.23685	1.8
69.24107	7.5
69.24437	1.2
74.14582	1.0
81.03452	21.2
99.04510	17.5
99.05095	1.6
99.47613	1.0
101.02442	19.9
125.02454	2.8
134.03734	100.0
135.04045	4.1
149.06068	66.9
149.07056	0.7
150.06403	4.0
169.36755	1.1
178.02687	6.2
187.93372	1.2
192.04239	1.1
193.05045	25.8
267.08713	61.5
268.09128	5.7
309.09778	44.0
310.09958	5.1
349.08585	1.7
349.12857	30.2
350.13177	4.0
411.12900	10.3
412.13333	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	411.127
Annotation	t(6)a
Peak:m/z	Relative Intensity
52.33225	0.5
52.48551	0.5
54.69430	0.5
59.01376	22.4
61.98830	3.7
62.03731	0.6
69.61938	3.5
71.01378	8.5
72.00906	30.7
74.02468	16.6
79.02729	0.5
89.02433	1.0
96.96012	1.8
100.00400	37.5
100.04043	3.6
101.00767	0.6
101.02441	0.8
111.03320	0.6
113.02483	0.6
118.05099	100.0
119.05438	1.1
133.05103	2.6
134.04718	1.0
135.04491	5.7
144.03018	37.0
145.03369	1.1
146.87944	0.6
160.02675	4.4
161.04521	1.0
187.06084	2.4
250.10825	0.6
291.10800	0.8
291.38321	0.5
300.68381	0.5
319.10284	1.3
334.16934	0.6
336.07947	0.5
411.13348	0.8
412.15994	1.2
413.17203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.0
61.98827	100.0
69.45338	2.2
71.01376	2.9
73.02943	3.6
74.97932	0.3
83.01392	1.1
85.02960	0.4
89.02451	1.3
101.02438	4.3
113.02467	1.2
119.03545	0.5
126.30968	0.4
129.02052	0.3
131.03545	0.5
141.71561	0.3
143.03558	0.9
145.34451	0.3
149.04622	1.0
149.06049	0.3
161.04594	1.5
179.05629	0.4
207.06653	0.3
221.06750	0.5
237.86833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	6.9
61.98806	4.0
70.92605	1.6
70.92918	1.3
71.01373	4.2
72.99280	0.9
73.02914	1.1
78.95890	4.9
79.95724	2.7
80.96523	3.1
85.02915	1.8
87.00870	1.8
88.98814	1.3
89.02431	2.1
93.03433	1.6
96.96001	100.0
96.96896	7.3
99.00880	1.4
99.94303	1.1
101.02427	3.3
105.01865	0.9
112.98834	1.1
113.02424	1.4
114.82938	0.9
116.10999	0.9
125.02437	13.0
128.03532	1.2
134.04715	3.3
135.04503	4.4
137.02420	3.8
138.97049	8.0
143.03467	1.1
149.02434	3.5
150.03218	5.5
161.04601	1.4
164.04764	2.5
164.07133	1.4
165.05553	13.0
167.03513	1.1
168.98125	1.1
169.01424	21.4
189.01608	1.4
195.06583	5.6
206.04718	1.0
222.99025	1.1
228.70830	0.9
233.48952	0.8
241.00203	55.7
242.00346	1.5
249.12424	7.0
250.12720	1.1
327.10742	5.5
331.06723	2.1
411.02332	46.8
411.10193	4.4
411.97723	0.9
412.02789	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01703	1.1
61.98832	1.8
70.11543	1.7
71.01393	1.8
71.57893	0.3
89.02439	0.3
98.19901	0.4
103.98132	0.3
131.07144	1.0
185.08369	0.5
186.21802	0.4
275.11475	0.8
329.12503	0.4
409.09344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
57.16983	0.7
57.17722	0.7
58.47908	0.8
58.76993	0.8
59.01378	100.0
60.01729	0.9
61.98830	7.8
69.03493	0.8
70.49367	2.9
71.01376	20.5
72.99309	1.2
73.02940	4.6
75.00874	1.1
80.48595	0.8
83.01379	1.6
85.02951	6.0
87.00883	1.8
89.02442	20.2
91.57694	0.8
95.01419	1.2
96.96004	2.8
99.00887	1.4
99.04505	1.2
101.02437	14.6
113.02453	8.9
113.06109	0.9
115.03995	1.2
119.03509	7.3
122.06117	1.6
131.03476	1.0
135.04462	1.3
143.03493	2.3
143.07088	1.2
144.04553	1.2
145.07693	4.3
145.08702	2.1
149.02420	0.9
149.04553	1.2
157.04985	0.9
159.03043	1.5
161.04567	9.0
179.05589	8.4
187.13316	1.7
234.72881	0.7
237.50208	0.8
252.09120	0.7
280.81992	0.8
283.10431	1.6
285.12524	1.3
303.13318	1.1
304.12048	1.0
331.17603	2.8
347.12363	1.8
349.18640	34.9
350.18872	2.2
409.16614	2.7
409.20807	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50096	0.9
57.03441	4.3
58.00576	1.3
58.52236	0.9
59.01377	100.0
60.00859	1.1
61.98838	8.9
69.54269	6.8
71.01376	31.5
72.99310	2.1
73.02941	8.6
75.00864	1.4
82.87167	0.9
82.95464	1.1
83.01382	2.8
85.02953	9.9
87.00868	2.3
89.02438	17.0
93.83443	0.8
95.01369	2.1
95.95269	1.2
96.96004	7.0
97.02960	3.0
98.20588	2.0
99.00872	2.2
99.04512	2.8
101.02445	21.7
113.02451	13.2
118.88004	0.9
119.03521	7.0
119.05032	2.1
122.03753	1.2
123.04533	1.5
125.02473	10.0
129.05568	1.1
131.03450	1.3
135.04532	1.4
143.03477	2.4
149.02390	1.1
150.03235	9.1
153.64993	1.0
153.78456	1.0
159.03032	2.2
161.03244	2.1
161.04550	29.1
164.31732	1.0
165.05560	16.3
179.05582	4.3
187.13431	2.9
195.06599	6.9
205.03577	1.1
248.09238	1.6
349.15314	1.7
349.18637	44.5
350.19012	3.7
365.14575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01710	0.7
61.41084	0.3
61.98832	1.0
64.21732	0.4
69.69090	2.2
71.01382	1.5
78.95918	0.5
81.42429	0.4
85.02953	0.8
101.02457	1.7
113.02499	0.5
143.68529	0.4
161.04491	0.6
195.19014	0.4
248.15561	0.4
250.45982	0.4
347.17371	0.8
347.24362	2.9
407.14108	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0426
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
59.01375	4.4
61.98811	1.0
63.96218	1.0
64.97021	0.9
68.75348	0.4
69.70447	2.7
71.01369	2.1
74.99091	51.3
75.00839	0.6
75.99442	0.8
77.48853	0.4
79.95734	13.5
80.96512	2.6
85.02941	2.4
89.02431	1.3
95.95228	53.5
96.96005	100.0
98.20676	0.4
101.02431	1.8
111.92890	0.7
113.02470	0.5
116.05036	0.6
130.63960	0.5
134.03745	1.0
135.04521	23.5
136.04851	6.0
138.97026	0.7
149.02339	0.5
150.03246	1.1
165.05550	2.3
166.03360	2.1
195.03294	1.9
195.06575	0.5
212.00194	0.8
214.98485	0.5
223.32835	0.5
259.01379	2.7
274.99039	1.9
361.15436	1.4
362.15875	2.1
380.42050	0.5
389.18668	5.7
390.19019	7.7
408.04245	54.5
409.04541	5.0
434.18021	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.9
60.01443	0.3
61.98845	0.4
66.29362	0.2
69.45087	1.3
69.45495	0.6
71.01353	0.3
85.91081	0.2
92.98492	0.2
98.20683	0.5
109.93347	0.3
121.02948	100.0
122.03280	3.0
124.75518	0.3
164.50497	0.3
243.39613	0.2
270.62820	0.2
373.35675	0.3
412.27231	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01713	1.3
60.02901	0.4
60.97995	0.4
61.72828	0.4
61.98828	1.3
69.32621	3.7
71.01377	7.1
85.02972	1.3
89.02434	2.3
92.90669	0.4
96.95992	0.4
101.02441	1.8
101.91713	0.4
103.03992	2.5
109.02951	0.5
113.02457	1.1
119.03510	1.3
119.83890	0.6
131.25745	0.4
143.03458	0.5
147.39673	0.4
151.81261	0.4
161.04610	0.7
176.35461	0.4
206.78458	0.4
247.08208	6.8
247.10561	0.5
248.08684	0.6
261.45261	0.4
265.09238	2.8
283.86603	0.4
287.13248	0.4
315.23367	0.5
354.90781	0.4
407.18372	0.6
407.26627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23816	0.5
54.98178	0.4
55.08712	0.4
59.01379	4.5
61.98832	3.4
64.97013	0.6
69.19321	2.6
69.19746	1.8
71.01376	1.7
72.99280	0.5
73.02954	0.6
74.99090	16.3
79.95739	4.7
80.96519	0.7
85.02943	0.9
89.02447	1.0
95.95227	17.3
96.96005	33.5
98.19881	1.0
101.02450	0.9
107.05043	0.8
113.78210	0.5
116.05048	2.8
117.03481	0.9
119.05026	1.0
123.04507	0.8
132.83876	0.4
134.03722	4.6
135.04518	100.0
136.04845	4.6
137.02548	0.5
151.03979	0.6
155.81979	0.4
162.05521	0.5
166.03279	0.8
178.08727	1.0
179.09074	1.0
185.02216	1.9
195.09200	0.9
221.10892	0.7
239.11925	0.9
259.01306	0.8
271.02298	0.6
277.39029	0.5
300.02979	0.6
329.12872	3.4
331.14456	0.6
345.12473	0.6
347.17035	0.6
361.15506	12.2
362.15619	2.2
389.18677	42.3
390.18970	5.1
407.15012	0.9
407.19901	0.5
407.98846	0.9
408.04272	18.1
419.08502	0.5
433.17691	4.9
434.17996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24811	4.0
59.01376	100.0
61.98824	39.5
62.96480	4.4
71.01386	7.4
71.10450	11.2
79.37560	4.4
86.10291	4.5
88.87614	4.5
92.59617	4.1
96.95998	11.0
105.63663	4.9
126.48334	5.0
152.57986	5.0
171.10330	7.6
191.39322	4.7
295.36710	5.0
325.20145	9.2
347.17093	9.9
370.93210	4.7
408.25134	7.6
408.30856	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	407.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01720	1.5
70.59239	0.9
71.01382	1.9
73.02961	0.7
85.02932	0.7
85.63425	0.4
89.02465	0.9
89.13145	0.4
94.34301	0.4
101.02457	1.3
113.02448	1.0
117.67960	0.4
121.58308	0.4
125.09734	0.7
143.10837	1.0
161.04596	1.5
171.10213	0.6
287.14911	0.5
301.46744	0.5
305.16141	1.5
347.17050	1.2
398.61676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.2
69.91932	1.4
71.01384	1.9
73.02943	0.8
89.02457	0.9
101.02451	1.8
113.02473	0.7
119.03438	0.4
125.09727	1.3
143.10837	0.5
161.00197	0.4
161.04591	0.7
226.11757	0.5
227.11920	0.7
252.95168	0.4
278.30643	0.4
296.56668	0.4
305.16266	0.7
347.17212	1.2
407.18619	1.2
407.26724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.5
61.98829	100.0
71.01385	1.5
75.36300	0.6
77.44182	0.5
85.02942	0.6
101.02454	0.7
124.12769	0.5
137.02440	0.8
139.65317	0.5
143.05067	0.7
147.12308	0.6
155.78012	0.5
161.04584	0.6
163.40506	0.5
181.09671	0.6
194.72235	0.6
216.46098	0.5
244.87862	0.5
358.43332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	33.3
61.98819	1.8
68.34738	0.5
71.01389	2.6
71.56649	0.5
72.99297	1.6
73.02936	1.2
75.00867	15.0
80.15582	0.5
85.02952	0.8
87.00860	1.1
89.02431	2.5
99.00871	0.7
101.02426	2.3
108.02167	0.7
117.58065	0.5
119.03471	0.9
120.66013	0.5
122.03676	0.5
135.03000	4.2
135.04485	3.8
145.02873	0.8
147.03250	2.1
152.07193	0.8
153.05527	1.3
153.64403	0.5
158.37743	0.5
159.04567	0.5
160.04039	1.1
161.04625	1.6
162.05589	100.0
163.05949	4.2
164.03551	0.7
164.07137	0.7
165.05591	0.7
176.07082	0.7
179.05649	0.5
180.06548	0.5
192.06686	0.7
203.10770	0.6
214.05026	1.4
215.05830	1.5
216.06720	0.7
223.64151	0.6
228.06664	0.9
229.06210	0.7
230.11806	1.5
232.13358	1.3
242.04543	0.8
242.11797	0.6
243.05438	7.5
244.05609	0.9
244.09824	0.6
258.11337	1.6
259.07217	2.4
260.12955	0.8
268.09711	1.1
269.10599	1.0
270.11337	1.5
271.04794	9.9
271.07208	1.0
271.12018	1.2
272.05124	1.4
280.06155	1.6
286.10767	4.8
287.10464	4.6
288.12357	6.7
291.09732	0.8
310.10999	1.0
313.08224	6.0
316.11920	5.0
317.12302	1.1
318.13507	1.2
326.10358	1.1
328.11874	44.3
329.12354	4.7
331.09308	3.1
345.10971	0.7
346.12906	24.3
347.13275	2.2
365.07083	0.7
375.08200	1.4
406.14993	1.7
407.10852	4.7
407.19421	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	405.2644
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
54.54551	1.1
56.32008	1.1
58.16392	0.9
59.01389	5.8
61.98817	2.0
71.58801	2.0
72.21784	0.9
78.29735	1.1
83.05020	1.3
86.05589	1.1
90.96585	1.0
111.08214	1.1
118.73965	1.0
145.06204	1.3
213.14922	2.2
217.77139	1.1
221.44250	1.3
232.84036	1.0
239.16481	1.3
247.13219	1.0
254.05962	1.2
315.26846	2.6
325.25345	4.1
341.24829	1.4
343.26462	4.1
359.25693	2.4
361.27271	2.0
369.24234	3.9
387.25461	9.6
405.26440	100.0
406.26743	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	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	71.0
61.98823	37.7
62.67828	17.2
70.48025	43.8
70.48374	22.9
107.45229	16.6
111.76308	16.2
112.04592	17.2
118.99789	16.7
165.75948	16.1
259.57175	18.2
374.08054	20.1
405.09515	26.8
405.26447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	33.3
61.98835	31.2
66.39359	8.3
85.10258	8.4
102.46207	9.9
102.66891	7.8
102.70261	8.6
102.95354	9.7
107.99837	8.0
108.02168	19.6
121.73647	8.2
123.04526	32.0
123.51340	8.4
128.57214	9.1
199.35651	9.0
211.04005	19.6
229.88977	10.6
239.03517	56.9
252.04094	11.2
254.05841	100.0
269.08176	71.6
405.13397	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03428	0.6
58.00582	1.8
59.01377	40.7
63.07571	0.5
70.40398	1.9
71.01381	18.9
72.01737	0.6
72.99303	1.6
73.02937	4.7
73.99297	0.5
83.01363	0.9
85.02937	4.5
87.00871	0.8
89.02445	20.3
93.03470	3.4
94.03791	1.7
95.01385	1.4
98.63330	0.6
99.04502	1.4
101.02436	8.5
113.02452	6.2
113.04665	0.5
119.03487	6.7
137.02443	6.3
138.02765	3.1
143.03497	0.9
146.89618	0.5
163.11272	4.6
176.47935	0.5
179.05626	1.4
181.12331	27.0
182.12674	1.5
207.10179	0.9
225.11304	100.0
226.11696	5.4
237.54036	0.5
243.12343	2.0
281.09421	0.6
311.10388	2.5
329.11240	1.1
405.17630	61.9
406.18018	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	403.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10206	18.0
58.86117	19.1
59.01379	100.0
61.98807	68.9
74.66886	19.9
126.03369	19.5
130.11101	22.3
193.48900	19.9
226.85666	21.9
248.13448	21.9
342.65335	21.8
347.37418	23.5
403.24643	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	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
60.38382	0.2
61.98826	100.0
62.98542	0.3
69.67551	1.2
71.41917	0.2
73.74470	0.2
85.73730	0.2
98.19917	0.3
107.38580	0.2
116.59373	0.2
119.07076	0.2
132.01680	0.2
167.26125	0.2
308.89899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1186
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
56.14694	0.5
59.01377	6.8
61.98820	3.2
61.99080	0.5
68.99556	1.0
69.03454	1.5
77.10846	0.5
79.95734	1.0
80.02651	0.8
83.99759	0.5
84.06380	0.4
91.01891	13.8
92.02216	0.7
93.03458	4.1
95.01405	1.2
96.95997	1.9
101.43041	0.6
105.96718	0.5
107.01369	1.8
107.05025	1.1
108.02164	17.0
109.03004	3.5
112.98556	1.7
121.02955	1.2
123.00862	5.4
124.01674	0.7
125.02430	1.9
135.00874	12.7
137.02438	13.9
140.98875	0.8
151.00322	2.0
152.01134	16.3
153.01701	0.7
197.06053	1.4
200.72543	0.6
213.05629	0.7
213.08064	0.6
215.07112	0.7
232.04305	0.7
232.95529	0.5
242.05821	2.4
243.06593	100.0
244.06927	6.7
405.11844	10.0
405.16852	0.6
406.12146	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	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08623	23.5
51.17587	25.3
55.56554	22.7
55.97711	23.2
57.53051	23.6
59.01370	100.0
60.68618	23.7
61.98825	91.1
70.69363	47.7
70.69692	37.0
74.61317	24.7
85.64661	26.6
94.59746	20.3
94.62610	26.4
115.33412	22.2
178.14226	24.0
221.47675	26.7
232.25282	26.0
271.22794	84.5
316.64011	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	403.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13143	20.4
59.01370	100.0
61.25135	22.3
61.98815	66.7
69.62306	81.8
69.62714	52.4
71.47761	20.9
87.00872	66.8
148.86589	22.2
207.31580	23.4
209.90668	21.4
223.97476	21.7
240.99490	28.2
306.75104	23.6
330.05447	37.4
367.13431	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	403.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.2
58.00594	1.6
59.01377	56.9
61.98830	8.8
62.54589	1.8
62.65056	1.5
66.64812	1.6
71.01375	25.1
71.05022	2.1
72.29701	1.4
72.99303	14.4
73.02936	7.7
73.86510	1.3
75.00869	35.1
81.03446	2.0
83.01387	2.3
83.05016	2.5
85.02946	20.2
87.00863	5.7
89.02438	19.7
95.01357	2.0
97.02978	1.8
97.06553	1.8
98.16795	1.2
99.00879	2.4
101.02438	8.5
102.02056	1.3
103.04000	2.8
109.02931	4.4
111.08149	4.8
113.02420	6.5
115.00374	18.5
119.03476	6.5
123.04529	2.9
125.02426	4.6
125.09718	1.5
135.02989	14.5
137.09680	2.2
139.00269	1.7
155.01125	1.7
155.10728	4.3
155.42210	1.5
161.02455	1.8
169.05063	2.0
169.12285	6.4
171.10257	31.6
172.10678	2.1
175.02477	18.1
179.05562	2.8
193.12364	2.8
195.13887	17.4
196.14099	1.9
197.11827	26.1
198.12221	1.8
199.13477	1.6
205.07083	6.0
207.57751	1.7
211.13322	5.7
221.11832	4.3
223.13379	19.2
235.13339	4.6
239.12862	21.3
240.13199	2.8
241.10641	2.6
241.14389	4.5
251.12744	1.6
253.14334	3.0
261.88007	1.5
267.12430	6.9
277.14658	1.9
280.08478	1.9
281.10233	2.0
283.08841	3.0
283.11844	40.9
284.12244	3.4
285.13425	100.0
286.13708	8.9
295.10800	4.8
315.14417	11.4
325.12741	5.0
325.20401	2.4
327.13821	2.5
339.09558	1.7
343.13965	11.2
343.17407	2.2
343.21191	3.5
361.18573	5.4
371.12833	1.8
385.14819	1.7
403.15125	3.9
403.19138	2.3
403.23758	10.1
418.54169	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	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03498	29.7
55.80305	35.4
59.01370	100.0
61.98811	44.4
70.20598	61.9
70.21008	99.2
74.58314	31.3
82.00741	33.5
95.30634	33.9
96.95967	34.0
103.71651	32.1
118.70566	32.3
129.87598	33.1
162.77856	30.0
244.21777	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	403.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71006	2.3
59.01374	18.4
61.98821	3.4
71.01381	7.0
71.56288	1.9
75.00862	2.2
77.93627	1.5
83.01388	1.7
85.02917	2.0
87.00881	8.3
89.02446	4.8
93.03453	70.0
96.96042	2.2
101.02437	3.8
113.02451	2.9
119.03511	3.0
122.02470	5.3
122.06138	2.5
132.04524	3.7
137.02434	100.0
147.03102	3.7
160.04007	2.1
174.01663	1.6
175.02580	4.4
176.03465	4.4
190.05115	4.8
204.02943	4.0
207.13872	1.6
211.13402	36.5
212.13635	2.7
213.14964	5.4
223.09792	4.0
223.13361	4.3
235.13368	2.0
239.11888	4.4
241.05008	11.1
241.14401	15.6
243.11407	1.8
245.11673	1.9
251.12830	14.2
253.06152	3.8
253.14525	1.6
255.07771	2.1
263.12787	5.4
267.07938	1.7
268.49789	1.7
269.09009	1.9
269.13861	3.6
277.14261	2.5
280.61194	1.8
281.09265	2.0
281.13895	1.7
283.10907	11.5
294.06619	2.5
305.13861	3.0
309.08798	6.9
318.94464	1.6
323.14792	2.9
327.09827	17.5
341.11612	2.2
343.07794	1.8
343.13663	1.6
353.07864	1.8
359.12189	2.1
371.08594	9.5
372.09326	1.8
403.11438	30.3
403.19550	3.0
404.11774	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	402.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	10.6
61.98830	100.0
62.51908	3.7
70.06681	18.9
77.27013	3.9
93.65468	4.7
94.91267	4.6
128.52003	4.0
187.21353	4.9
193.30051	4.4
239.10312	4.3
271.37250	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81494	1.0
59.01376	44.0
59.10555	0.9
59.89184	1.3
61.98811	4.0
70.42873	2.8
71.01369	4.7
73.02950	1.3
76.89365	1.1
85.02934	3.4
93.03422	1.2
95.01384	5.1
96.95991	2.6
99.00887	1.1
101.02417	2.9
110.07614	1.3
111.00866	1.9
111.09348	0.9
113.02447	2.0
121.02940	3.8
122.02467	5.0
123.00882	100.0
123.02766	3.5
124.01688	24.6
129.01860	1.2
135.01204	1.0
137.02385	2.3
138.03226	61.2
139.04015	75.2
140.04332	2.8
149.02423	2.2
161.04512	1.9
163.04031	1.3
178.02731	1.6
181.05109	6.9
193.04996	1.8
203.05592	3.6
223.06183	2.1
240.04222	4.5
241.04980	2.0
283.08206	2.2
301.09320	1.3
343.10300	21.9
370.02682	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	401.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	8.4
59.01379	100.0
61.98810	14.2
63.63036	8.0
69.23709	7.1
71.55389	9.1
87.00878	8.5
89.02432	12.0
121.02958	79.5
137.24925	7.4
148.28534	7.1
152.09392	6.9
180.06091	9.4
225.05585	9.1
313.07135	12.2
341.11047	18.0
401.08832	33.0
401.23145	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	402.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95696	0.5
55.14811	0.5
59.01376	100.0
60.01721	1.5
60.56657	0.4
61.98807	0.4
68.01417	0.9
69.35431	4.1
71.01380	1.3
73.02929	0.6
85.02985	0.6
87.00924	0.5
89.02461	0.8
109.80777	0.5
113.02482	0.4
113.85889	0.5
115.08918	0.5
118.48028	0.4
120.96809	0.5
123.03282	1.9
138.05608	35.7
145.31279	0.5
152.07211	0.5
168.38892	0.4
169.01457	0.5
180.06662	2.5
212.07387	0.5
214.77359	0.5
282.09665	0.6
300.11111	0.7
342.11905	18.4
342.15942	1.0
343.12320	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.0
57.53215	0.9
59.01378	100.0
60.01696	1.4
61.98820	3.0
63.69641	1.0
66.59519	0.9
71.01376	14.7
73.02945	5.4
83.01419	1.5
85.02955	4.3
87.00869	0.9
89.02431	6.7
101.02435	8.8
113.02442	7.6
119.03487	2.6
119.05013	5.4
122.02502	0.9
135.04468	1.2
143.03462	1.3
146.03722	15.2
161.04561	2.6
161.06087	5.0
164.03537	1.6
164.04779	10.2
167.72221	1.0
179.03645	2.3
179.05559	2.2
179.07123	41.8
180.07393	1.5
180.31624	1.0
198.62711	1.0
213.31891	0.9
249.19870	1.0
281.10263	13.7
299.11292	1.6
341.11615	4.4
401.13562	1.4
401.18317	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	51.2
63.09685	1.5
70.28436	6.2
71.01378	37.5
72.99313	3.0
85.02936	3.9
87.00871	4.7
89.02440	54.0
91.73691	1.6
92.54924	1.8
98.20555	3.0
101.02441	19.5
113.02446	16.6
119.03487	15.8
129.01926	1.8
131.03482	2.0
143.03484	3.7
145.01433	1.9
149.04543	3.7
155.89517	1.8
161.04517	4.8
171.44020	1.6
172.83687	2.1
179.05629	27.0
341.10834	100.0
342.11133	7.3
401.10822	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	401.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01714	1.2
69.32301	4.2
69.32720	1.2
69.44138	0.7
71.01388	2.1
71.23186	0.6
89.02461	0.8
91.61882	0.6
93.03492	0.7
96.95998	1.4
98.20635	1.5
101.02469	0.9
101.37184	0.6
134.04755	3.0
137.02496	1.6
216.28896	0.6
296.53925	0.6
316.83646	0.6
341.10822	1.5
401.13892	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1449
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
59.01377	100.0
71.01382	32.1
72.99282	1.4
73.02940	20.6
83.01372	6.9
85.02941	8.1
88.53295	1.4
89.02437	21.1
95.01389	1.6
98.19836	2.8
99.00858	2.2
101.02447	27.1
103.26219	1.2
109.03007	1.6
111.00894	1.4
113.02438	12.4
114.98600	1.2
119.03494	6.7
119.05013	18.9
125.02489	1.9
126.45370	1.3
128.68875	1.2
131.03488	3.6
143.03455	2.7
149.04529	3.9
156.04439	1.4
161.04523	10.6
179.05589	2.2
179.07133	1.6
203.08817	1.5
238.21385	1.2
269.10284	5.2
281.10284	26.2
282.10687	1.6
299.11356	6.8
341.12296	8.9
401.14548	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	401.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04662	2.6
59.01373	100.0
69.04813	2.5
69.68552	15.3
69.68867	4.0
71.01376	36.2
73.02943	44.4
75.00854	3.0
83.01385	8.8
85.02950	6.4
89.02438	20.3
96.96002	3.2
101.02435	35.8
113.02424	15.1
119.03506	10.1
119.05000	6.5
123.04510	6.8
125.75935	2.6
135.04523	50.5
137.41231	2.3
143.03448	3.7
146.03726	7.7
153.05547	7.9
161.04565	7.1
161.06021	3.4
172.58556	2.9
179.07100	9.6
184.10243	2.7
281.10330	7.2
297.09827	13.4
297.12689	2.6
315.10867	42.3
341.11310	3.6
343.00848	2.5
357.11914	35.3
358.12015	4.2
383.89624	2.7
401.14133	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	58.1
60.81984	2.3
61.98833	2.8
62.16249	1.8
62.40477	1.6
67.58959	1.8
69.15976	1.7
71.01379	39.7
71.54678	3.2
72.99284	2.2
73.02950	3.4
83.01370	2.9
85.02922	5.2
86.07458	1.9
87.00873	10.7
89.02443	60.6
101.02437	21.3
102.82240	2.1
111.14066	2.2
113.02445	12.6
119.03510	19.1
131.03514	3.9
142.27533	1.9
143.03430	4.1
149.04552	9.8
161.04485	5.7
164.04712	2.3
179.05627	23.8
179.07036	4.1
181.04897	2.6
194.05840	2.4
207.79420	2.3
209.08139	3.2
216.87361	2.1
265.07123	8.0
277.29303	1.9
325.09283	3.0
341.10831	100.0
342.11111	7.0
401.10651	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	401.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	1.6
54.13120	1.7
55.01894	1.7
58.71575	1.8
59.01106	2.2
59.01376	28.0
61.98822	3.9
71.01373	17.2
71.26099	3.8
72.99277	2.2
73.02936	6.1
75.00893	1.8
83.01405	1.9
85.02930	5.9
87.00871	50.4
87.37386	1.6
89.02439	13.3
90.98734	1.8
92.83910	1.5
94.80042	1.9
96.96004	2.7
101.02462	7.9
101.03008	2.3
109.02956	3.5
111.00892	2.1
113.02431	6.3
119.03476	4.4
121.02916	3.6
122.02485	2.7
123.00837	5.9
123.04483	2.6
127.77280	1.6
129.01935	1.8
131.03519	2.1
135.04488	3.9
138.03149	4.2
149.02397	2.0
151.00317	3.2
153.01923	3.4
153.05544	4.0
161.02429	7.5
163.03989	18.9
164.04794	12.2
165.05536	3.5
166.02689	9.0
175.03958	3.4
176.04799	11.9
177.01878	4.4
177.05380	3.1
178.06340	17.0
179.03502	9.0
179.05562	4.8
179.07072	35.2
181.05046	10.6
189.01910	2.4
190.02654	1.7
191.03487	18.2
191.07143	6.0
192.04123	3.7
193.05013	8.4
193.08672	3.2
194.05782	9.4
203.03476	10.2
204.04396	2.4
205.05014	7.6
206.05765	7.2
207.02878	1.9
207.06541	3.0
208.07339	1.8
209.08131	7.6
218.05719	2.7
219.03033	3.4
220.03716	3.2
221.04453	5.1
221.08157	7.1
222.05161	2.1
231.03026	2.1
234.05296	4.0
235.05977	2.2
236.06717	2.3
237.07663	4.5
238.04843	3.2
247.02464	4.1
247.05960	3.7
249.07568	3.0
251.09120	2.8
262.04721	9.3
265.07159	50.1
266.07504	5.4
277.07169	25.2
291.08646	1.8
295.08209	74.1
296.08478	5.7
312.11069	1.8
325.09158	1.9
341.10870	16.2
355.10306	20.4
357.08331	2.5
383.09955	10.2
401.10803	100.0
402.11142	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	400.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15334	5.2
59.01382	23.3
61.98824	100.0
67.06773	5.0
71.55363	4.7
81.43275	4.6
121.02952	20.1
204.29906	5.0
282.79962	4.9
322.71521	5.5
395.22934	6.0
401.09122	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	401.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42902	0.5
54.94478	0.6
56.23769	0.5
59.01378	18.1
61.98850	0.5
68.99781	0.8
71.01389	2.2
71.56412	0.9
73.02943	1.1
73.54118	0.5
75.00882	1.0
77.03970	3.3
79.01881	1.6
89.02441	1.1
89.09234	0.6
93.03465	3.3
101.02436	1.5
105.03448	1.8
113.02466	1.0
117.03456	14.6
119.05016	1.5
121.02956	3.3
125.02431	0.6
133.02919	1.4
135.04523	4.0
137.02379	0.8
145.02977	0.9
147.04544	0.7
149.02448	3.2
159.04562	3.5
159.05676	0.6
161.02432	7.2
163.00427	0.9
163.03969	6.9
165.01941	0.9
173.02499	1.0
175.00426	0.7
179.03540	1.1
180.05783	0.9
191.03558	2.2
193.01546	0.8
196.05386	0.7
197.06059	0.8
203.03487	1.7
211.07562	0.9
213.25676	0.7
215.07147	1.4
224.04701	0.8
225.05382	0.6
237.05501	0.8
239.07169	3.0
240.04112	1.0
243.06519	0.6
261.48154	0.6
268.03769	3.3
269.04483	5.1
281.04587	7.0
281.09317	0.7
282.05273	3.2
283.06097	68.0
284.06363	4.7
293.04620	3.5
295.06085	2.7
309.03998	0.9
311.05582	84.6
312.05936	7.5
314.04303	1.2
323.05554	6.9
324.06039	0.9
341.06647	11.2
341.10727	1.3
401.08719	100.0
402.09055	12.4
417.71109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21614	0.6
55.17009	0.6
58.83487	0.7
59.01377	13.2
59.24025	0.7
60.01693	0.9
61.01793	1.8
69.94854	3.4
71.01404	1.6
71.36196	0.8
73.02953	0.8
77.03973	2.0
79.01891	1.8
83.01373	1.3
89.02457	1.5
93.03458	2.4
95.01466	0.7
96.95997	1.8
98.19997	0.6
102.72871	0.6
102.82457	0.6
105.03410	1.4
107.01428	0.8
112.54015	0.6
113.02437	0.9
117.03450	18.4
117.04276	1.1
118.03858	0.8
119.05031	1.1
119.77224	0.6
121.02993	3.1
125.02490	1.0
127.57722	0.6
133.02959	1.3
135.00888	0.9
135.04474	1.2
149.02464	2.0
151.00400	1.6
159.04495	2.9
161.02419	10.3
163.00354	4.4
163.04047	4.1
165.01912	2.9
175.03970	2.1
177.01935	1.3
179.03441	1.5
181.06541	0.9
182.03561	0.7
183.04471	1.6
185.02414	1.4
185.05930	0.7
186.06575	0.6
189.01666	0.8
191.03529	1.2
193.01424	1.5
195.08235	1.0
196.05212	1.2
197.06058	1.0
201.05524	0.8
203.03458	1.9
209.06058	1.0
211.03934	1.0
211.07549	1.1
224.04695	1.5
225.05566	1.4
227.03654	0.9
237.05594	1.6
239.07071	1.9
240.04222	0.8
251.06898	0.7
253.05139	2.6
254.05736	0.7
266.06915	0.7
267.06387	0.7
268.03781	10.5
269.04520	22.2
270.04944	1.5
279.02679	0.7
281.04538	26.1
282.05258	26.3
283.06076	46.7
284.06436	4.2
293.04620	2.6
295.06113	9.9
296.06415	1.0
308.03223	2.5
309.03986	3.0
309.07162	0.7
311.05585	100.0
312.05911	9.5
314.04233	2.1
323.05563	16.3
324.06143	1.6
325.07138	2.7
326.07379	0.8
337.07147	1.2
339.05063	0.8
341.06641	77.7
342.06921	9.5
347.05658	1.3
353.06674	2.0
365.06653	2.6
383.07635	16.9
384.07968	2.3
401.08734	84.5
402.09128	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	399.1689
Annotation	JWH 200 7-hydroxyindole metabolite
Peak:m/z	Relative Intensity
53.51809	0.5
54.46127	0.5
56.91920	0.5
59.01375	2.5
71.01366	1.0
71.58493	1.0
72.99322	0.6
79.95734	3.0
80.96516	1.9
84.41413	0.5
85.02962	0.7
85.54663	0.5
86.36618	0.6
93.45532	0.5
93.80003	0.6
96.96007	92.2
101.02471	1.8
113.02438	0.6
122.42308	0.5
138.97093	0.9
150.97070	0.9
154.52563	0.5
180.98112	3.1
241.00230	8.3
399.16913	100.0
400.17145	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	400.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20560	5.3
59.01368	21.9
61.98826	100.0
64.54218	5.8
71.25956	6.6
83.19991	5.6
89.02406	6.6
94.58547	5.6
121.02942	18.2
164.52948	5.2
200.26753	5.3
209.44666	6.5
253.35672	5.6
262.30310	6.5
400.17578	6.2
401.08884	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84114	1.1
57.03446	68.7
58.03792	1.6
59.01378	100.0
61.98831	6.4
69.17197	7.0
69.17622	4.9
71.01373	8.6
73.02946	2.6
75.00863	1.7
78.95900	36.8
81.03455	25.0
83.01418	2.6
85.02956	6.1
91.01902	3.2
93.03448	9.7
96.96960	93.0
99.00851	1.6
99.04514	36.5
100.04860	1.4
101.02446	19.3
111.00842	1.4
113.02425	4.4
115.53851	1.2
119.01405	1.3
121.02954	5.9
125.02464	2.1
133.02975	4.5
135.04570	1.6
137.02441	17.5
139.07639	4.9
143.03502	1.5
151.03999	21.1
161.04532	2.4
166.06340	26.5
173.30690	1.4
180.07927	4.3
181.08687	34.5
182.09070	2.4
195.10197	8.0
231.79053	1.4
269.04520	5.6
269.16092	1.1
280.44971	1.2
281.06631	3.3
282.98892	1.2
284.03235	18.5
285.03949	4.7
297.04004	3.8
327.05038	6.7
337.16241	1.7
339.14441	17.4
340.14407	1.6
357.11734	1.4
357.15540	8.0
358.15799	2.2
399.01828	2.2
399.07126	39.9
399.14197	8.7
400.07504	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02564	0.3
56.82090	0.2
57.49165	0.3
59.01377	100.0
60.01718	1.3
69.57726	1.9
71.01381	0.8
73.02946	0.5
85.02958	0.6
93.03462	4.0
101.02451	0.7
113.02462	0.4
125.27750	0.2
137.02446	7.6
137.03487	0.5
149.04530	0.5
223.13383	1.7
267.12332	1.6
399.12592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.169
Annotation	JWH 200 7-hydroxyindole metabolite
Peak:m/z	Relative Intensity
59.01377	3.9
61.98830	1.3
65.84599	0.7
71.01376	1.7
71.57690	1.0
73.02985	0.9
78.95877	0.9
79.95733	2.9
80.96514	2.7
85.02908	0.9
87.00866	1.2
96.96011	100.0
101.02428	0.8
108.29195	0.7
113.02442	1.5
122.97568	1.0
126.73046	0.8
138.97076	6.9
150.97086	1.1
241.00273	8.3
271.93301	0.7
345.77881	0.8
399.16919	96.7
400.17276	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	399.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
61.98830	100.0
71.18562	0.9
71.18888	0.5
71.33291	0.5
79.95749	1.2
87.93723	0.5
94.36318	0.5
96.96008	19.7
372.91220	0.6
399.16919	21.1
400.17145	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	399.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62955	0.3
57.03449	1.5
59.01377	100.0
60.01712	1.4
61.98829	0.7
65.00317	0.4
71.01379	4.9
71.58817	0.6
73.02960	1.3
81.03477	0.4
83.01374	0.8
85.02966	1.2
87.00896	1.0
89.02435	2.6
96.31199	0.3
99.00895	0.6
99.04518	0.8
101.02433	3.0
109.06640	0.5
113.02455	1.8
119.03505	0.5
121.02943	2.4
133.06554	0.9
134.03764	0.4
137.02415	0.7
149.06104	0.4
149.09717	0.7
151.07649	0.7
161.04543	1.8
171.10278	0.6
175.07642	0.5
177.09236	0.9
179.07133	0.5
187.37466	0.3
193.01389	0.5
193.08667	2.2
195.06789	0.3
195.10333	1.6
219.06606	3.6
237.07718	0.6
237.11371	0.8
239.11378	0.3
263.05862	0.5
275.09305	0.6
293.10275	2.2
299.16229	0.3
309.07593	0.5
339.14587	0.8
351.16501	0.4
357.15567	0.9
399.07422	1.2
399.12738	8.5
400.13449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37941	0.2
57.03443	1.8
58.03795	0.3
59.01378	100.0
60.01716	0.8
69.03440	0.3
71.01382	3.5
71.03838	0.4
73.02958	1.2
83.01385	0.7
85.02955	2.0
89.02449	1.3
95.01410	0.6
99.04542	0.9
100.04858	0.5
101.02440	3.4
113.02446	5.2
119.03526	0.5
131.03513	0.3
142.34837	0.3
147.04474	0.3
148.04880	0.4
149.04585	0.4
161.04584	0.8
163.80154	0.2
179.07213	0.3
180.07478	0.4
250.06509	0.4
264.97348	0.3
270.47607	0.3
275.63696	0.2
284.03305	0.3
293.48553	0.4
335.05566	0.3
339.14685	0.3
357.15353	0.3
398.11996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	1.6
67.17180	0.5
71.01384	1.9
71.33119	0.6
73.02940	3.8
81.50150	0.5
83.01389	1.2
92.32127	0.5
101.02431	2.7
113.02448	0.6
123.72604	0.5
129.57259	0.5
161.04602	0.8
216.32263	0.5
277.35001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05734	0.4
57.03446	11.6
59.01065	0.7
59.01375	19.9
61.98827	100.0
69.07204	0.4
71.01389	1.4
73.02947	0.6
74.06910	0.4
75.98255	0.4
81.03451	3.8
83.01364	0.6
85.02979	0.9
86.48981	0.4
93.03466	0.8
96.96958	0.6
99.04510	5.3
101.02415	3.7
108.30567	0.4
113.02438	1.0
121.02962	1.0
125.39250	0.4
133.02954	1.2
137.02444	0.9
140.99352	0.4
141.97734	0.5
151.04117	0.5
160.14815	0.4
161.04558	0.8
166.06355	3.7
181.08717	5.2
190.61024	0.4
249.13463	3.3
269.04620	1.7
284.03226	8.5
285.04196	1.8
291.14526	1.1
297.04108	2.3
327.05023	3.1
399.07169	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	397.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58915	0.6
57.03444	100.0
58.03783	1.9
59.01376	9.0
61.98801	0.6
64.94981	0.6
69.21014	2.0
69.21439	4.7
81.03452	10.2
98.20679	1.2
99.04512	65.5
100.04891	1.5
101.02435	15.9
125.02421	3.3
125.88395	0.7
143.03496	1.2
146.03726	18.7
161.06065	7.3
164.04778	14.5
179.07129	36.2
180.07486	1.8
223.06155	0.7
253.05194	0.8
304.96475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44901	0.4
59.01371	1.9
68.27071	0.5
69.46680	4.2
84.25630	0.5
92.18351	0.5
135.04524	19.9
163.04001	100.0
164.04362	4.7
178.06342	85.2
179.06674	4.4
186.97574	0.5
193.08687	98.1
194.08987	5.9
230.09824	0.6
331.15726	0.5
350.58109	0.6
355.60583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01707	0.8
61.98830	0.6
70.61047	0.1
70.84344	0.1
71.01376	1.3
71.58654	0.3
73.02962	0.3
75.00892	0.5
85.02968	0.3
89.02449	0.2
93.03470	0.4
101.02459	0.5
113.02428	0.8
116.05093	0.2
137.02475	0.3
161.04552	0.2
185.50406	0.2
192.06688	0.9
193.06996	1.0
203.05630	0.4
249.66737	0.2
256.49863	0.2
265.97327	0.2
294.86008	0.2
304.12509	0.2
318.87350	0.2
388.30753	0.2
394.59479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.4
61.75961	0.4
61.98829	1.2
69.44442	2.5
71.01378	4.4
73.02946	5.4
75.00876	0.5
83.01400	1.5
85.02968	0.7
87.00878	0.7
89.02441	0.6
96.96040	0.7
99.04520	0.6
101.02435	2.6
113.02461	1.6
132.02171	15.8
132.03180	0.9
133.02512	0.7
134.03729	10.3
135.00961	0.5
139.91142	0.4
146.03792	0.6
147.04515	1.3
149.06093	2.2
154.61853	0.4
160.01649	66.4
161.01962	3.5
174.03198	0.5
175.03987	100.0
176.04332	5.6
191.07129	2.8
193.05038	20.2
194.05338	1.1
202.02733	0.9
207.06570	0.7
217.05019	6.1
223.03946	1.5
235.06053	1.8
251.03453	1.0
252.04271	8.0
253.04811	0.5
261.94293	0.4
262.07483	0.5
277.07059	0.5
311.48212	0.5
359.76724	0.5
383.39297	0.4
397.10083	5.5
398.10370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.4
61.75961	0.4
61.98829	1.2
69.44442	2.5
71.01378	4.4
73.02946	5.4
75.00876	0.5
83.01400	1.5
85.02968	0.7
87.00878	0.7
89.02441	0.6
96.96040	0.7
99.04520	0.6
101.02435	2.6
113.02461	1.6
132.02171	15.8
132.03180	0.9
133.02512	0.7
134.03729	10.3
135.00961	0.5
139.91142	0.4
146.03792	0.6
147.04515	1.3
149.06093	2.2
154.61853	0.4
160.01649	66.4
161.01962	3.5
174.03198	0.5
175.03987	100.0
176.04332	5.6
191.07129	2.8
193.05038	20.2
194.05338	1.1
202.02733	0.9
207.06570	0.7
217.05019	6.1
223.03946	1.5
235.06053	1.8
251.03453	1.0
252.04271	8.0
253.04811	0.5
261.94293	0.4
262.07483	0.5
277.07059	0.5
311.48212	0.5
359.76724	0.5
383.39297	0.4
397.10083	5.5
398.10370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
61.98825	1.5
61.99113	0.3
69.85155	1.4
71.01376	0.7
77.25552	0.3
78.95899	1.2
79.95733	2.2
89.02452	0.4
93.03459	5.1
96.96007	100.0
97.95932	0.6
101.02444	0.5
101.39813	0.3
113.02446	0.4
137.02440	10.5
138.02739	0.4
152.42352	0.4
152.43579	0.4
167.00220	1.2
192.98180	1.8
209.01318	2.3
234.99202	7.4
235.99524	0.4
299.07864	1.6
304.04922	0.3
397.04355	0.8
397.16785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70497	0.3
59.01367	0.9
70.78907	0.8
73.84601	0.3
78.95892	1.7
79.95744	2.4
83.29680	0.3
93.03450	4.3
96.96003	100.0
97.95934	0.5
114.69877	0.3
136.24364	0.4
137.02440	8.6
167.00249	0.9
192.98174	1.2
204.20576	0.3
209.01263	1.7
213.42145	0.4
213.62000	0.4
234.99181	4.0
252.62778	0.3
299.07706	1.0
397.04163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
56.12830	0.8
57.03435	3.8
57.29791	0.8
59.01379	43.4
61.98798	0.8
67.01877	0.8
68.99800	4.0
69.03455	1.5
71.01007	1.4
71.01380	22.3
72.99303	5.6
73.02962	4.3
75.00870	27.2
76.66038	1.0
81.03455	1.2
83.01383	1.6
85.02945	26.6
87.00873	9.3
89.02456	5.8
93.03460	1.8
95.01397	7.1
98.19839	1.9
99.00878	13.5
101.02429	2.2
103.00365	2.7
103.05560	3.8
106.06615	2.9
111.04529	1.3
113.02443	32.7
115.00360	3.4
117.01965	4.6
119.05041	1.9
121.02904	0.8
129.01915	2.4
130.99863	1.1
147.04514	100.0
147.36491	0.8
148.04802	4.9
150.05594	3.8
157.01462	0.8
165.86647	0.8
173.61089	0.8
175.02492	4.7
175.03755	0.9
189.04007	1.1
194.04233	1.0
198.24568	0.9
231.05023	7.8
249.06126	69.0
250.06503	4.0
309.65347	1.2
337.09314	0.9
379.10309	2.6
397.11371	87.5
398.11688	10.1
422.92969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11828	0.4
57.03428	0.7
58.00583	0.7
59.01377	16.9
60.85986	0.6
61.57167	0.5
61.98831	9.0
68.99815	30.4
71.01006	0.9
71.01379	14.7
71.57759	0.5
72.99321	1.2
73.02943	10.7
74.56155	0.5
75.00844	1.4
83.01375	3.9
85.02971	3.2
86.09230	0.4
87.00872	1.2
89.02441	13.4
95.01387	1.6
98.87268	0.5
99.00876	100.0
100.01225	2.0
101.02444	5.8
105.03432	0.5
113.02454	6.5
117.01923	1.7
119.03512	4.2
125.99598	2.1
127.00402	2.5
135.04607	0.6
137.06029	0.5
141.01936	12.0
143.03468	1.2
149.04501	0.5
159.03006	1.3
161.04533	2.1
163.03973	0.5
171.03035	2.3
178.06409	0.7
178.58517	0.5
179.05669	2.6
183.03059	0.8
193.08730	1.4
193.17497	0.5
196.23396	0.5
201.03958	0.9
219.04977	0.7
246.79788	0.5
265.05060	2.2
277.05072	1.1
279.06644	1.8
292.82532	0.5
307.06146	4.4
390.04834	0.6
396.16754	0.8
397.09293	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	396.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14318	0.3
59.01378	100.0
60.01715	1.1
61.39397	0.3
61.98829	33.9
71.01382	0.7
71.58320	0.6
78.98581	0.3
79.66797	0.3
80.70618	0.3
96.57111	0.3
96.96026	1.0
167.39365	0.3
349.16327	0.3
388.24850	0.3
396.24750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74744	1.6
56.70812	1.5
59.01064	2.7
59.01377	93.6
61.98830	100.0
67.24342	1.6
69.45977	10.3
69.46384	3.6
69.73276	1.8
96.96017	1.8
105.26926	1.6
118.59535	1.8
139.03810	1.7
241.68282	1.9
331.48990	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01377	26.8
61.98820	4.5
67.71014	1.2
69.51416	3.8
69.51838	4.7
70.58343	1.0
71.97708	1.0
96.96012	2.3
97.02933	1.5
99.08141	2.1
113.09709	4.2
121.10209	1.1
129.09187	2.7
139.11317	9.0
147.11778	2.7
151.33484	1.1
156.47104	1.1
165.12820	4.3
169.12283	2.6
171.10272	9.6
181.12315	3.9
183.13800	1.8
193.08444	11.5
193.12303	2.6
197.11861	8.1
199.13431	3.1
211.13358	13.6
215.10405	6.3
219.10005	1.4
227.12885	1.2
233.11562	62.0
234.11928	3.6
249.13437	2.8
251.11427	2.3
256.79059	1.1
279.10858	1.8
293.12436	7.3
293.21231	13.9
294.21558	1.3
311.22260	100.0
312.22562	11.7
315.19342	3.0
333.20380	9.8
380.98291	1.2
393.22354	21.2
394.22668	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	393.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76419	1.9
59.01376	31.4
59.75859	2.0
59.80550	2.5
61.98819	2.2
71.56365	2.8
99.08154	4.1
113.09720	6.9
129.09227	5.8
129.33588	2.3
132.87218	2.3
139.11241	10.9
142.93948	2.2
143.67708	2.0
149.75345	2.0
151.11259	2.8
165.12888	4.5
169.12361	2.7
171.10260	17.5
185.11890	2.7
193.08488	5.4
197.11766	6.5
199.13342	3.3
205.74965	2.0
207.10014	11.1
209.43170	2.1
211.13429	12.1
215.10280	4.1
215.46333	2.3
219.10046	15.8
233.11539	31.8
234.11923	2.4
251.11534	3.0
275.19992	2.8
293.12485	2.6
293.21219	8.7
311.22269	100.0
312.22650	10.1
315.19415	18.8
333.20432	29.8
334.20624	3.8
377.19452	6.9
393.22144	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30883	32.1
65.35166	27.0
69.95405	100.0
69.95815	56.1
79.64200	29.0
79.85722	28.4
82.44657	28.2
93.52844	31.7
119.47473	29.8
142.53711	30.3
149.59021	29.6
158.12244	29.8
267.14862	32.8
268.56424	33.3
273.34180	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	391.262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81009	2.8
59.01381	100.0
59.07686	2.7
60.56346	3.2
70.73123	3.5
70.89479	6.0
89.02462	2.9
255.23221	10.3
259.58038	3.3
311.40067	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	392.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.9
61.98826	100.0
66.25323	0.4
70.30634	0.9
70.31026	1.1
77.11414	0.4
254.99422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84812	1.2
57.03445	1.6
59.01377	31.8
60.06680	1.2
61.98822	9.2
65.00327	1.2
68.99810	1.3
71.01381	15.2
71.06609	1.0
71.58635	2.2
72.00904	4.6
72.99307	1.9
73.02960	1.6
75.00859	2.0
76.71560	1.1
82.02974	2.8
83.01413	2.5
85.02966	3.4
87.00877	2.8
89.02442	16.8
95.01396	1.2
96.96008	8.3
98.02493	4.7
101.02447	12.1
113.02444	7.2
113.98454	1.1
119.03481	6.3
119.05049	1.9
127.05135	2.6
129.01927	1.7
131.03664	2.1
132.04605	3.5
133.01476	1.4
134.03697	2.8
135.04573	2.1
137.02467	1.7
138.01933	1.2
143.03455	1.8
143.07132	1.8
144.04523	2.8
145.04027	1.9
146.06050	1.5
149.02454	2.2
150.03136	2.2
157.07681	2.5
158.06107	13.9
160.04039	4.1
161.04529	3.4
162.03217	45.0
163.03714	2.7
167.06105	1.7
173.03523	3.6
177.05556	100.0
178.02655	1.8
178.05981	6.1
179.05609	4.7
183.05650	2.3
190.12556	1.3
193.05077	4.1
195.06618	3.4
201.06657	1.7
213.03053	4.2
231.04053	11.8
259.07388	1.8
261.08548	1.2
303.06210	66.5
304.06372	7.0
315.06229	3.6
331.12939	3.6
345.13104	1.5
347.12570	1.6
349.10257	1.8
357.11902	11.2
375.11752	2.1
393.08752	1.7
393.13153	3.6
393.17654	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	81.0
61.98820	3.5
69.03443	2.1
69.71832	7.6
71.01379	3.1
77.61352	1.7
79.58591	1.7
80.91675	2.1
83.05048	2.2
86.31697	1.7
92.93694	1.7
98.19867	1.9
111.08157	44.6
127.07577	1.9
134.57022	1.9
137.09767	1.8
147.11835	2.0
147.20967	1.9
151.11290	5.7
153.12781	2.5
165.12843	5.9
167.10687	2.1
169.12364	10.5
171.10318	2.2
197.11815	100.0
198.12137	7.2
199.13435	5.0
207.09972	2.0
211.13356	11.4
215.10455	4.2
219.09999	87.7
220.10376	4.6
228.77753	1.7
233.11563	44.9
233.15166	2.1
234.11847	2.7
237.09845	2.5
249.09726	1.9
249.13461	7.1
251.11302	7.6
263.20221	4.7
273.18311	2.1
287.16415	3.2
291.19586	15.2
293.12518	15.4
309.20703	91.5
310.21042	10.2
310.48395	2.0
313.17752	4.8
331.15164	3.4
331.18900	43.1
363.89420	1.9
375.17722	5.1
391.20572	19.5
392.20129	4.0
409.82239	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32729	1.0
59.01376	47.7
61.98832	3.8
70.88525	3.0
71.01376	2.6
72.62899	1.3
77.13714	1.2
83.05009	1.5
85.28796	1.3
89.02432	1.6
94.29783	1.3
109.06593	2.1
111.08171	11.8
119.08627	1.4
147.11792	5.8
153.12790	1.6
165.12851	6.0
166.84741	1.2
169.12341	4.1
170.20161	1.2
197.11819	59.9
198.12088	3.7
199.13315	1.5
207.10077	1.3
211.13420	3.4
215.10556	6.8
219.10025	6.4
227.12926	2.0
233.11571	100.0
234.12021	6.0
249.13493	4.0
251.11421	3.1
263.20111	1.9
265.18289	1.9
279.10999	2.8
291.19614	9.1
293.12399	11.1
294.12686	1.5
309.20697	42.4
310.21002	4.6
313.17990	3.1
331.18921	9.0
337.42215	1.3
340.57703	1.2
391.20856	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	391.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.5
59.01377	59.4
61.00189	1.2
61.98828	9.0
65.00323	4.0
69.03454	5.6
70.84068	2.7
71.01362	2.5
82.78632	1.2
83.01380	1.6
83.05025	2.0
89.02418	1.9
93.03456	1.3
95.04997	2.1
95.71648	1.2
96.96014	1.6
97.02943	42.3
97.06583	3.9
98.03278	1.3
107.01404	7.2
109.06573	1.7
111.08145	1.7
119.08695	2.8
123.08138	1.2
125.09720	4.6
137.09714	9.3
142.02663	1.2
148.05313	6.3
151.00360	34.8
163.11269	5.2
165.12862	8.3
171.10260	12.1
177.12842	1.4
179.14345	1.5
181.12328	1.9
183.13858	2.0
193.08441	15.6
193.12314	4.7
193.15808	1.3
195.13852	1.8
203.10762	30.1
204.11156	2.4
207.10020	3.8
208.10342	1.3
209.11862	3.9
211.13380	2.9
215.10558	4.4
219.09949	2.6
223.13364	2.5
227.12878	4.2
228.24008	1.2
233.11597	10.0
245.11572	20.8
247.20699	3.6
251.50984	1.4
261.10989	3.2
287.16281	3.9
291.19641	59.4
292.20044	5.5
309.20688	100.0
310.21057	10.3
313.17853	5.8
331.18863	13.0
355.11853	27.8
356.12161	4.4
375.17590	1.7
391.20807	31.9
392.20853	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	391.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.03444	5.4
58.02967	1.6
59.01377	33.9
61.98829	8.5
69.03459	1.0
70.02972	0.7
71.01380	21.1
71.01776	1.0
71.54591	1.3
72.00923	3.7
72.99303	0.9
73.02945	23.1
73.77010	0.7
74.02477	4.5
74.37053	0.5
75.00867	1.4
76.89815	0.6
78.95927	1.0
82.26392	0.6
83.01376	6.6
84.04544	44.6
85.02955	2.8
85.04865	0.9
86.02471	1.7
87.00900	0.9
87.92547	0.7
89.02425	3.1
96.96011	2.8
98.02451	1.0
101.02444	15.1
103.92003	1.1
109.73029	0.6
111.05593	0.9
113.02435	5.6
114.80138	0.6
116.03542	1.1
119.03486	0.9
122.03733	6.3
123.04546	0.9
125.07201	2.6
127.05132	64.2
129.06705	15.8
129.07666	0.7
131.03465	1.6
141.32454	0.7
143.03513	1.2
149.04596	1.0
161.04579	1.8
165.05635	0.7
169.06177	100.0
170.06566	3.1
171.07751	20.1
172.08189	0.8
229.10706	0.7
329.08685	2.1
371.52148	0.7
391.13559	11.9
392.14023	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	391.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
59.01378	100.0
69.30843	10.4
71.01373	8.5
71.16850	1.0
73.02946	4.0
83.01397	1.1
85.02949	4.4
89.02435	2.5
99.00862	1.6
101.02457	9.4
111.15826	1.1
113.02448	3.5
122.00477	1.1
138.07309	1.3
161.04544	4.6
175.02724	1.7
199.32475	1.0
269.10336	10.2
302.51050	1.4
311.11298	3.3
315.09866	1.5
321.44781	1.1
363.11816	1.1
391.19913	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	391.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72965	1.2
59.01378	100.0
61.98830	1.7
68.99812	1.8
70.30370	3.4
70.31781	1.2
71.01376	6.7
72.99323	1.6
73.02970	2.1
78.95909	4.5
83.01434	1.8
85.02959	4.5
89.02457	4.3
94.06628	2.2
96.96974	1.5
101.02451	5.0
113.02466	2.6
114.10983	1.2
118.06616	2.9
122.06117	10.3
124.04023	1.4
124.07684	2.3
132.04517	2.0
134.03717	6.2
134.06110	4.6
136.07664	2.9
137.02478	1.5
138.05582	3.1
146.06110	3.7
148.04037	7.0
149.06079	3.3
150.05594	6.8
152.07146	2.4
160.01666	2.0
160.04016	17.0
161.04688	6.0
162.05597	4.7
164.07152	2.0
168.06656	2.4
173.04796	1.5
175.04002	3.6
178.02728	3.8
178.05066	8.9
193.03789	1.4
193.05107	13.8
200.07275	1.8
212.10782	2.1
213.08058	1.5
214.94984	1.2
224.10909	9.0
225.10611	1.9
227.08192	2.8
228.09207	2.3
230.11896	3.2
237.06584	2.8
239.08228	1.7
241.06113	1.3
241.13425	3.2
242.11966	8.0
243.11331	11.1
251.08325	3.0
252.09024	14.7
253.09369	2.3
255.08665	4.0
255.11290	2.3
256.08646	2.1
257.09479	1.8
260.12900	3.8
261.12610	2.6
262.26138	1.2
267.11374	53.7
268.12042	2.7
269.09158	2.1
270.10071	2.7
284.07980	3.7
285.12439	47.0
286.12631	3.5
291.63617	1.4
293.09171	3.5
296.06909	1.3
303.13339	6.4
311.06927	1.8
311.10339	11.1
321.63977	1.4
329.11392	42.9
330.11780	3.7
331.13608	1.3
331.17569	3.1
346.05460	1.8
347.12335	9.7
348.12833	1.4
349.18509	3.1
355.10349	2.8
373.10321	21.4
391.11371	25.3
391.15286	2.2
391.19910	1.5
392.11664	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	390.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.6
61.98826	100.0
71.33092	1.1
71.33426	0.7
96.74812	0.6
324.41949	0.6
334.17221	0.6
390.19351	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	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.4
59.24206	1.0
61.98829	100.0
71.05553	1.7
73.39733	1.0
80.96512	4.2
126.98461	1.1
135.04469	1.0
255.67085	1.1
269.05170	1.0
359.47571	1.2
390.19327	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55636	1.2
57.01105	1.0
59.01377	100.0
59.50412	1.1
60.01701	1.0
64.68306	1.0
71.17911	2.0
72.87703	1.0
88.11141	1.2
104.41978	1.6
125.89387	1.6
166.54355	1.2
180.86577	1.1
189.73393	1.0
328.62695	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30663	0.7
58.54177	0.6
59.01375	10.7
61.98828	100.0
69.49433	2.5
69.49855	2.5
73.86815	0.6
75.43635	0.6
79.95742	1.0
83.05016	1.2
96.96024	2.4
98.19907	1.4
103.33540	0.7
109.02984	0.9
118.93047	0.6
182.59584	0.6
198.70169	0.6
345.70468	0.7
391.18073	1.6
391.29642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80953	0.2
52.23225	0.3
54.65731	0.3
59.01377	5.5
61.98837	1.5
63.15055	0.3
70.80620	0.5
70.80943	0.3
82.20091	0.3
88.98808	3.1
89.03968	0.5
93.03497	0.4
94.11878	0.3
107.05026	1.1
116.05057	5.1
124.01640	0.4
134.03737	5.8
135.04518	100.0
136.04842	4.0
145.79042	0.3
147.03265	0.5
148.13350	0.3
151.04019	0.4
152.04794	1.0
158.95059	0.3
159.14555	0.3
160.04071	1.2
162.05588	2.0
163.28363	0.3
167.05969	0.5
167.07170	1.1
188.07124	0.9
199.06387	1.2
200.07088	0.5
212.07098	0.6
221.10884	0.9
226.08527	0.3
230.41048	0.3
238.08733	0.4
240.10362	2.9
255.96506	0.3
277.09818	0.7
289.09833	0.5
303.11411	0.8
315.11578	0.6
317.12976	1.2
327.11163	0.4
329.12976	3.9
331.14487	2.0
341.12903	0.5
345.12366	1.1
346.13046	0.5
355.14517	0.7
357.15958	1.8
359.14005	1.2
361.15546	24.8
362.15887	3.2
373.15576	1.2
374.16470	1.7
387.17114	0.7
389.18674	43.9
390.18988	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.71754	30.7
61.96622	28.6
61.98835	46.5
70.71990	47.8
70.72337	56.6
88.25478	27.7
89.02424	38.9
200.50949	32.4
208.66043	28.7
223.38557	30.1
244.85646	31.3
389.29050	44.4
409.96939	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91659	0.3
52.66573	0.3
53.34962	0.3
59.01378	100.0
60.01701	0.7
61.98824	0.7
70.92841	0.6
108.22884	0.3
113.38025	0.3
157.30524	0.3
168.92377	0.4
193.70697	0.4
212.14558	0.3
373.77435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
56.30291	0.3
57.03423	1.0
59.01376	18.4
65.99129	0.4
70.09660	1.1
70.10075	0.8
71.01378	5.2
71.05037	0.3
73.02928	0.9
79.64704	0.4
82.85788	0.3
83.05004	0.4
85.02940	1.6
86.66940	0.3
87.00872	0.4
89.02443	3.9
95.01400	0.6
97.06578	0.4
98.55863	0.4
101.02440	2.5
111.08176	1.8
113.02450	3.6
119.03470	1.2
161.04521	0.9
165.12833	23.2
166.13187	1.4
179.05667	0.6
181.12242	0.4
183.13889	76.3
184.14212	6.0
188.44264	0.4
197.15480	2.5
207.13914	2.0
209.11795	2.9
215.75002	0.4
221.81691	0.3
225.14920	1.4
227.12868	100.0
228.13208	7.1
251.12865	3.5
269.13882	1.3
293.13931	0.7
299.15051	0.5
329.16022	0.7
356.24747	0.5
389.18228	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	389.1814
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01874	0.9
57.03452	0.9
59.01378	72.2
59.31347	0.4
60.01711	1.1
61.98843	0.5
64.76691	0.4
69.46693	2.7
71.01379	13.1
71.01778	0.7
72.01714	0.7
72.99303	0.8
73.02940	3.1
83.00977	0.4
83.01378	2.2
85.02948	5.4
86.00081	0.8
87.00880	1.0
88.04002	0.5
89.02441	5.9
95.01377	1.1
96.95995	0.5
98.20563	0.9
98.95596	0.6
99.00886	1.8
101.02444	10.3
102.02795	0.5
113.02450	5.0
119.03519	2.6
121.02937	0.5
125.02431	0.6
134.03700	0.5
136.70685	0.5
143.03476	0.6
150.03189	1.2
159.02972	0.6
161.04576	2.4
165.05569	1.0
166.02719	3.4
167.03398	0.8
169.06171	0.6
179.05617	0.6
193.05106	0.9
195.06638	0.8
202.06386	0.4
275.06949	0.7
275.49768	0.4
313.11850	1.1
329.08789	2.0
329.12384	0.5
329.16034	1.0
353.08548	0.6
357.10803	0.8
371.16833	0.9
386.49341	0.4
389.18127	100.0
390.18448	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	389.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43759	0.7
56.58287	0.8
59.01377	100.0
61.98830	15.5
69.30464	2.8
69.30883	3.7
71.01398	1.6
88.98815	1.0
89.02454	1.3
96.96011	2.3
97.02943	1.8
101.02420	0.9
110.96689	0.7
119.03471	1.2
125.02440	21.5
125.03318	1.3
134.03767	0.8
135.04523	10.0
154.99863	2.8
161.04436	0.9
162.54907	0.8
166.05099	0.8
167.07211	0.9
170.02251	1.4
185.04521	2.3
186.39908	0.8
304.00354	0.8
338.92047	0.8
361.15552	3.2
389.18744	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	71.2
60.01728	0.9
60.99300	2.8
61.74291	0.6
61.98827	3.3
63.58465	0.5
64.84409	0.5
65.25391	0.5
67.49734	0.4
71.01380	4.1
71.11237	1.1
73.02968	0.7
75.00894	0.6
85.02964	1.4
88.98806	19.3
89.02435	1.0
93.03439	0.7
96.96019	0.9
99.00867	0.7
101.02440	1.8
107.05029	1.3
113.02451	1.6
116.05059	5.5
122.02460	0.7
122.03757	1.3
125.02446	1.0
134.03738	5.5
135.04523	100.0
136.04825	4.3
137.02434	1.4
147.04465	0.5
147.63678	0.5
151.04060	0.5
152.04802	11.3
154.93399	0.5
161.04558	4.8
162.05602	2.1
167.07130	20.5
188.07256	0.5
199.06393	0.9
223.73395	0.5
230.11540	0.5
240.10371	2.8
289.09933	0.5
317.12561	1.2
329.12851	4.8
330.12903	0.5
331.14496	2.0
345.12469	1.8
346.13257	0.5
357.15897	1.8
359.13940	1.3
361.15549	25.3
362.15796	3.5
373.15558	1.1
374.16254	1.8
388.96881	0.5
389.18683	40.8
390.19006	5.4
404.42111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23422	0.6
57.01558	0.5
59.01377	100.0
60.01709	1.0
69.25185	4.1
71.01386	4.8
73.02940	1.9
83.01393	0.9
85.02968	1.9
99.00887	0.8
99.73145	0.5
101.02441	3.2
113.02469	2.2
118.96055	0.7
122.53564	0.5
140.55009	0.6
161.04532	4.2
228.37154	0.6
276.33264	0.7
329.12433	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	388.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28385	0.4
55.69897	0.4
56.17617	0.3
59.01363	2.6
61.98827	100.0
63.39382	0.4
70.80613	0.3
70.80965	0.9
75.26690	0.4
79.16997	0.4
96.95972	0.3
121.72408	0.4
141.41420	0.4
187.68336	0.4
218.22591	0.4
219.84692	0.4
273.11288	0.5
278.62180	0.5
307.19223	0.5
330.23694	0.7
388.19534	1.3
389.18384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.6
61.98830	100.0
71.37508	2.3
79.95728	3.6
80.96526	1.9
96.96000	3.5
129.73436	1.1
140.17688	1.1
148.17395	1.1
216.78716	1.1
290.18497	2.0
388.15005	5.4
389.16058	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	389.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	27.9
60.01697	0.8
60.99302	13.9
61.98826	8.6
71.01376	1.8
71.56232	1.0
73.02938	1.2
73.15694	0.7
77.36777	0.8
78.53994	0.7
85.02929	1.5
85.46651	0.9
88.98799	100.0
89.02438	2.4
93.03443	2.4
93.47243	0.8
96.95984	1.4
101.02438	1.3
116.05051	1.3
119.03395	0.8
125.02435	5.4
134.03758	1.9
135.03488	1.5
135.04512	24.6
135.13779	0.8
137.02437	4.1
148.90984	1.1
162.05600	0.9
166.04996	1.3
182.93045	1.0
226.92139	1.0
288.05722	0.8
321.84406	0.9
344.98047	1.3
361.15475	6.7
363.34274	1.0
389.10278	1.2
389.18707	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98837	2.7
71.55692	2.5
93.31577	1.9
97.86879	2.2
121.60506	2.1
139.27493	2.1
141.01620	2.3
149.25137	2.3
253.21690	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	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
61.98826	100.0
71.01396	0.6
71.14223	1.2
78.04450	0.5
80.20621	0.4
80.50204	0.5
93.14742	0.6
101.02451	0.8
147.64565	0.5
149.98346	0.5
151.81619	0.5
164.03566	0.9
179.07277	0.5
191.15994	0.5
245.49367	0.5
293.06750	0.8
313.99469	0.5
320.81622	0.5
340.30048	0.6
353.08981	0.6
380.35550	0.5
388.12482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47134	0.5
59.01379	19.6
61.98827	100.0
63.99256	0.5
64.30984	0.4
65.00285	0.4
69.46246	0.9
69.46664	2.0
71.01378	6.2
72.99319	1.0
73.02945	0.8
75.00878	1.1
85.02961	1.4
87.00904	0.4
89.02441	6.8
93.03460	0.5
94.28847	0.3
96.96023	0.6
101.02419	4.1
102.12325	0.4
113.02464	2.9
119.03510	3.9
120.92538	0.4
128.03635	0.4
134.03754	1.6
135.04518	1.6
143.03513	0.6
146.03728	0.5
149.06032	2.3
151.68591	0.5
161.04613	0.8
164.03571	0.5
164.04822	0.5
172.00165	0.5
179.05597	1.0
179.07178	1.7
237.06319	0.5
293.06708	1.5
329.12305	3.3
353.08847	1.2
361.15948	0.5
388.13239	0.5
389.18918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.2
57.84487	1.0
59.01377	30.5
60.01706	1.9
61.98827	100.0
69.25455	1.5
69.25865	7.5
71.01382	22.1
72.99321	1.2
73.02936	4.7
83.01380	2.4
85.02959	8.8
87.00900	1.3
88.45580	1.0
89.02469	5.0
98.20636	2.2
99.00876	1.6
101.02457	11.0
113.02462	9.0
119.03478	2.4
121.02889	1.6
143.03427	1.1
159.02994	2.1
161.04549	14.7
165.12802	3.3
173.91855	1.1
175.03958	1.9
179.05614	1.2
180.04298	1.8
183.08093	1.1
183.13869	5.1
185.11864	1.0
190.06306	3.2
191.07072	1.6
193.05125	1.1
194.05945	1.1
205.08566	2.3
227.07149	1.5
227.12862	4.6
359.14893	11.2
389.17639	1.5
389.21753	4.2
389.25571	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	387.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71224	20.3
59.01382	100.0
61.98819	35.2
66.10713	18.6
71.56097	24.5
77.47594	22.3
96.44936	19.5
118.28389	20.1
130.90736	19.0
141.01694	45.6
199.19431	20.2
212.13004	19.3
218.94359	18.3
237.28648	23.8
266.32813	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	387.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71224	20.3
59.01382	100.0
61.98819	35.2
66.10713	18.6
71.56097	24.5
77.47594	22.3
96.44936	19.5
118.28389	20.1
130.90736	19.0
141.01694	45.6
199.19431	20.2
212.13004	19.3
218.94359	18.3
237.28648	23.8
266.32813	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	387.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.73724	0.9
60.01713	1.2
61.98818	3.2
63.92667	0.9
70.48207	3.2
76.20576	0.8
83.19369	1.0
100.55805	0.9
108.39130	1.0
111.55101	1.1
141.01686	1.5
150.99876	0.9
162.01505	1.0
253.21667	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	387.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56179	1.5
59.01381	7.2
60.50608	1.9
61.98827	20.6
64.43476	1.6
68.41303	1.7
69.41987	9.5
69.42393	3.5
71.05043	1.9
71.30708	1.5
89.02451	1.9
92.37505	1.6
96.96011	2.9
97.06560	2.4
99.00861	7.9
117.01933	3.1
119.05000	1.7
123.08115	3.6
135.04520	7.6
145.01422	2.8
147.04489	16.5
149.06114	2.5
149.09717	3.6
159.04494	3.9
163.07709	2.0
165.05620	2.1
175.03983	13.2
175.07646	3.5
176.04436	1.9
177.09254	2.1
177.12849	11.6
179.14426	7.4
183.08145	6.9
191.14345	8.0
193.12300	2.6
203.14421	11.0
205.12311	10.0
207.13910	22.6
208.14200	1.9
209.15428	3.6
218.13103	10.1
219.13887	40.0
220.14320	2.9
230.12895	1.7
231.13846	17.9
233.11813	4.5
235.13370	11.9
245.15359	1.9
247.13361	64.0
248.13664	5.9
251.12909	12.9
261.14996	3.1
263.12817	35.1
264.13364	2.2
275.12808	2.9
277.14444	3.0
289.14383	5.0
291.12366	100.0
292.12701	10.2
305.14063	3.0
307.15393	8.3
327.21631	1.8
333.13501	2.2
351.14532	16.9
352.14767	2.9
377.55649	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1657
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03446	1.2
58.00590	1.9
59.01374	10.7
61.98792	1.1
69.35445	2.2
69.35853	6.6
71.01374	7.9
73.02935	4.4
75.00869	1.3
85.02932	4.9
86.03748	1.9
87.00866	3.2
87.04512	4.1
89.02445	1.7
94.33105	0.9
95.05023	1.7
97.02974	0.9
98.19858	1.9
99.00835	1.1
99.04497	5.9
101.02445	5.6
107.60509	1.0
111.00809	0.9
113.02473	1.9
115.00365	12.5
122.74564	1.0
139.00357	1.5
151.00356	1.1
157.01419	2.3
162.94592	0.8
163.11250	8.1
175.02469	16.5
181.12331	29.7
182.12642	2.0
183.10278	5.3
194.55247	0.9
195.13884	8.4
204.20375	1.0
207.10300	4.4
223.13455	2.2
225.11310	100.0
226.11690	7.6
239.12895	6.1
242.05890	2.0
253.14426	1.3
267.12332	18.2
268.12671	1.7
269.13916	1.1
297.13306	2.3
327.14456	18.5
328.14832	1.2
387.11148	1.9
387.16489	10.5
387.23688	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51263	0.3
55.01867	1.0
57.03443	0.9
58.00587	0.8
59.01374	100.0
60.01720	1.2
61.86314	0.3
61.98807	0.5
63.50314	0.3
69.18450	2.5
69.18873	1.3
71.01377	16.3
71.04970	0.3
72.01725	0.6
72.99310	0.7
73.02944	6.1
83.01376	3.3
85.02942	7.3
86.92104	0.4
87.00875	1.4
87.84728	0.4
89.02428	4.4
95.01397	1.3
97.02950	0.8
97.06612	0.4
99.00875	2.0
101.02434	14.5
102.02790	0.5
109.06596	0.4
111.00886	0.4
113.02438	6.8
119.03461	1.8
125.02443	1.0
129.88383	0.4
137.02335	0.4
143.03528	1.1
143.07118	0.4
159.02986	1.7
161.04544	7.5
165.12811	4.3
171.11760	0.3
175.02553	0.5
181.12297	0.4
183.13927	0.5
207.13905	0.4
227.32788	0.4
248.16788	0.4
267.09290	0.5
311.70386	0.3
317.78717	0.3
327.11447	0.5
327.18158	3.4
327.21625	0.6
345.19138	20.0
346.19550	2.2
357.95642	0.3
383.12924	0.4
387.15442	0.7
387.19724	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	386.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86624	0.6
59.01374	5.9
59.23897	0.6
61.98827	100.0
69.07449	0.6
70.13794	2.8
71.01393	2.1
73.02958	1.1
75.52909	0.6
81.91135	0.6
83.01384	0.7
89.02432	1.3
96.96010	1.8
101.02433	0.9
121.02986	0.9
122.02485	1.8
123.04560	1.1
136.75929	0.7
148.24750	0.7
149.02422	3.6
150.02802	2.3
164.04802	2.4
165.05200	2.3
167.03476	0.8
174.01682	3.8
175.02177	2.7
179.07135	1.3
180.07642	0.9
191.03096	0.7
194.01837	0.8
205.05179	0.7
206.05510	1.0
208.03709	1.4
209.04079	2.5
223.06061	3.9
224.06435	8.4
326.09601	1.5
345.20151	0.8
386.11649	10.2
387.12830	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86236	0.3
59.01379	100.0
60.01703	1.1
70.51901	0.9
71.01380	5.8
73.02951	1.7
83.01375	0.6
85.02935	2.6
89.02460	0.5
96.96018	1.8
99.00893	0.9
101.02443	4.0
102.68915	0.3
113.02451	3.0
121.06593	0.3
143.03477	0.4
148.05301	13.7
149.05688	0.5
159.03004	1.0
161.04555	8.5
162.04956	0.5
163.07637	9.4
163.08957	0.5
164.08057	0.6
172.97723	0.3
175.00282	0.4
210.20193	0.3
309.04303	0.5
387.63593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19131	0.6
56.29243	0.6
59.01377	100.0
60.01725	1.0
71.01383	6.2
73.02937	1.7
85.02963	2.5
98.19850	1.5
99.00887	2.3
101.02420	3.3
112.98822	1.7
113.02472	2.8
125.45761	0.5
142.99892	2.6
148.05298	11.8
159.02936	1.2
161.04567	8.9
163.07645	9.9
165.89674	0.6
173.00890	1.4
174.01688	5.8
211.13481	1.3
216.82455	0.7
223.13451	0.8
235.46643	0.7
249.01656	0.7
267.12473	1.8
278.72986	0.6
348.20547	0.6
355.86444	0.6
360.00745	0.6
367.14172	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
59.01377	22.0
61.98828	21.5
64.01155	1.1
65.51839	1.1
68.83971	1.3
68.99825	1.4
69.03461	2.0
69.38603	1.8
69.38942	10.3
71.01376	13.9
72.99313	9.9
73.02916	1.9
73.79263	1.2
75.00871	1.7
79.94773	1.1
82.95416	3.1
83.01369	4.7
83.05041	2.3
85.02924	2.8
87.00863	2.1
87.62362	1.1
89.02447	1.8
89.81173	1.2
96.99259	1.1
97.06516	1.4
98.20664	2.0
99.00878	20.6
101.02433	2.2
111.00881	3.4
112.98064	1.9
112.98814	28.2
115.00394	6.9
117.01913	1.9
124.98772	3.4
128.30696	1.4
129.01894	1.2
142.99847	40.4
145.01418	1.9
148.05324	1.5
156.00632	4.9
157.62494	1.5
161.04503	3.5
163.04001	2.7
163.11224	1.3
173.00902	24.0
174.01682	100.0
175.02376	8.7
177.05551	2.7
179.14394	6.3
183.13814	4.3
201.12756	1.3
205.12346	2.6
207.13893	3.4
211.13373	29.6
212.13657	2.0
219.13922	2.2
221.11877	1.3
223.13339	15.8
235.13376	1.8
237.11255	2.3
237.14954	2.1
245.11845	3.6
249.07692	1.7
249.11084	1.7
250.32455	1.2
251.12785	2.2
261.11411	2.0
263.12787	7.5
267.12338	15.3
268.12384	1.7
275.12790	1.4
279.12296	3.6
281.14133	1.7
287.12741	1.5
289.10635	1.7
305.14117	2.0
307.11823	21.5
308.12271	1.7
325.12772	3.9
337.12717	2.4
349.12875	6.5
367.13904	62.9
368.14386	6.0
385.14157	1.8
385.18643	1.6
385.25952	1.7
386.14374	2.3
386.19476	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	385.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54250	0.5
58.58250	0.5
59.01377	10.3
59.62714	0.5
61.98833	1.3
62.55961	0.6
68.99814	0.7
69.43276	3.6
71.01392	0.7
79.05531	0.9
81.03454	0.5
83.01412	0.6
85.02926	1.0
87.58573	0.5
93.06319	0.7
95.01399	0.7
97.02907	0.7
99.00902	0.8
106.12522	0.6
107.01366	1.9
107.05019	2.3
108.02174	2.3
109.02927	2.5
117.37311	0.6
121.02959	3.0
122.03719	2.2
123.00858	0.6
123.04495	2.8
135.00873	2.9
135.04579	1.2
136.01654	16.8
137.02502	4.5
138.03229	1.1
143.50035	0.5
148.01675	0.7
148.05254	0.8
149.02383	1.1
149.06053	0.8
150.03198	7.7
151.04018	6.1
161.02428	1.2
161.06044	0.9
162.44376	0.5
163.00294	2.7
163.07642	1.4
164.01140	7.0
165.01907	3.4
166.02705	0.8
175.07567	0.6
177.01921	6.9
178.02707	3.7
179.03487	38.5
180.03844	2.1
191.03525	2.6
205.08614	2.0
210.01654	3.4
211.13391	0.6
216.04248	0.6
231.06564	6.2
232.06938	0.8
235.06122	0.6
249.07651	36.9
250.08005	3.0
255.06828	0.7
293.12518	1.2
299.05490	1.5
314.07721	0.7
315.08591	1.6
327.21832	0.7
385.12888	100.0
386.08362	1.0
386.13205	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	385.1289
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
57.03442	1.5
59.01375	10.3
61.98822	2.1
63.02370	0.6
65.00329	4.0
71.01408	0.7
71.11111	1.3
73.02951	0.6
75.00888	0.6
80.02681	1.4
83.01381	3.1
107.01379	7.8
108.02160	5.8
123.00843	0.7
124.01679	1.0
125.02438	11.4
132.80232	0.7
136.01657	5.1
138.89345	0.6
148.05247	0.7
151.00363	14.7
159.04483	5.5
161.04579	0.7
163.07706	0.8
164.01155	9.2
183.04520	2.7
183.46498	0.6
185.02464	2.5
196.00124	11.1
199.04033	0.8
201.09183	0.9
203.07181	4.6
209.99007	0.6
218.09456	7.3
219.10100	1.5
224.04837	0.8
225.05542	6.8
226.05949	0.7
227.03494	3.2
233.11809	1.8
239.07104	1.8
242.09415	0.9
243.06464	0.6
245.11877	0.7
249.05501	1.4
258.08972	2.4
261.11432	0.8
265.05145	0.8
267.06589	9.5
268.06970	1.4
283.09775	4.1
284.10330	1.3
285.07690	1.9
286.08176	0.7
293.04483	3.2
299.09357	1.3
311.05600	20.1
312.05859	2.7
325.10855	2.8
326.11499	2.1
328.28354	0.7
341.13632	0.7
342.11102	1.4
369.09729	2.3
370.10474	5.1
385.12897	100.0
386.13235	9.7
386.19183	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.0
61.98817	1.5
64.30536	0.5
65.76649	0.4
66.78378	0.4
71.01357	1.1
71.17699	1.0
73.55180	0.5
76.00742	0.4
79.01871	0.8
79.05518	0.6
83.01396	0.9
87.83169	0.4
93.03423	0.5
95.01401	0.9
97.02982	0.6
100.55502	0.5
101.02464	0.8
107.01398	1.9
107.05008	3.0
108.02184	2.6
109.02937	1.8
113.02421	0.6
121.02960	1.9
122.03735	1.4
123.04494	2.3
133.62514	0.6
135.00868	3.1
135.04517	2.1
136.01660	19.5
136.19064	0.4
137.02454	5.4
138.03206	1.3
148.01862	0.6
148.05246	0.7
149.02373	1.1
149.06073	1.1
150.03220	6.6
151.00435	0.5
151.04021	5.8
161.02390	1.1
163.00305	2.9
163.03879	0.5
163.07631	0.4
164.01146	8.0
165.01910	2.8
166.02673	1.4
177.01926	4.9
178.02689	3.3
179.03496	45.2
180.03831	2.2
191.03458	2.3
203.07130	0.8
205.08664	1.9
209.16985	0.4
210.01686	3.6
211.13382	0.7
231.06630	6.4
249.07663	31.3
250.07945	2.3
255.06482	0.7
293.12500	0.8
299.05585	2.2
314.07855	0.8
315.08585	1.4
385.12891	100.0
386.13242	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	385.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00264	1.1
51.09497	0.9
59.01374	11.8
59.29771	1.1
66.70290	1.0
69.62202	5.5
71.01388	5.3
84.28989	1.0
85.02946	2.0
89.02429	4.7
101.02438	2.9
113.02431	1.7
119.01366	4.3
121.02930	6.1
135.04517	1.4
136.05266	1.8
147.00829	3.0
148.67389	1.1
149.02426	37.7
150.02774	1.4
152.01144	5.3
161.02393	1.4
163.04008	6.1
164.04794	31.6
165.01958	2.1
165.05037	1.5
169.05110	1.8
174.01581	1.1
175.00368	23.8
176.00684	1.1
179.07098	10.6
180.07729	1.4
181.08656	2.8
189.01865	1.9
190.02715	72.5
191.03119	3.6
193.01404	12.6
205.05046	100.0
206.05405	7.4
208.03754	32.4
209.04057	2.8
210.42609	1.0
221.07999	2.2
223.06107	95.1
224.06491	5.8
232.03773	1.2
247.06026	7.0
261.57483	1.2
265.07217	2.5
324.05374	1.0
325.09015	1.8
385.11328	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	385.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	38.4
60.52865	2.0
69.62309	13.1
71.01386	10.8
73.02934	9.2
83.01391	3.8
85.02946	3.3
89.02432	9.4
100.97923	1.9
101.02464	10.8
113.02429	8.9
119.05027	11.6
121.02922	7.8
122.75533	2.4
135.04524	3.9
149.02441	42.7
150.02705	2.4
152.01161	3.2
161.04648	2.2
163.04013	6.1
164.04788	38.5
174.01721	4.4
175.00363	24.2
179.07108	12.3
181.08696	3.4
190.02708	66.2
191.03003	3.4
193.01418	16.6
205.05055	98.3
206.05367	4.5
208.03743	36.9
223.06107	100.0
224.06413	5.1
224.15741	2.4
247.06071	5.9
265.07178	4.8
281.10236	7.8
286.93481	2.2
299.11121	3.0
319.61810	2.6
319.65619	2.3
341.12344	3.2
385.11475	17.4
399.71317	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75699	26.6
59.01375	100.0
61.98829	74.8
66.76385	25.5
70.78894	79.4
73.48145	23.9
83.04978	24.7
120.49387	25.9
171.04587	36.0
197.62486	26.2
291.19629	73.7
299.05869	26.4
309.20578	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.9
60.89740	0.8
61.16460	0.7
69.50828	5.4
71.01382	2.3
72.99306	1.6
73.02943	2.5
75.00864	2.8
83.01371	1.6
83.85143	0.7
85.02943	3.2
87.00887	3.8
98.20618	1.1
99.00868	1.2
101.02429	1.4
107.02702	0.8
110.62646	0.8
113.02453	1.5
113.63427	0.9
113.64193	1.0
115.00385	6.7
149.02426	5.3
152.01115	1.3
156.96251	0.8
160.34995	0.8
163.04016	1.0
164.04886	3.8
167.56303	0.8
168.44189	0.9
174.01677	49.7
175.02438	6.0
177.02005	0.8
178.06425	0.8
179.03503	1.1
179.07104	1.3
183.52400	0.7
189.42844	0.8
193.01433	1.9
193.04971	1.0
194.05748	0.9
205.05049	1.1
208.03740	4.8
209.08180	1.6
223.06093	12.8
224.06458	1.8
239.09193	1.9
267.08762	2.4
269.94202	0.8
290.19083	0.9
295.08310	5.5
296.08517	1.2
325.09268	10.2
326.09564	1.2
385.11374	100.0
386.11761	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	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02416	0.5
58.27634	0.4
58.71556	0.4
59.01379	15.7
61.98814	0.8
65.49523	0.4
68.99813	32.8
71.01379	9.8
71.57999	1.0
72.99254	0.5
73.02953	4.7
83.01371	0.8
85.02950	2.2
87.00908	0.5
89.02437	13.7
95.01402	0.8
96.95989	0.6
99.00877	100.0
100.01223	2.1
101.02435	4.3
113.02456	4.7
117.01910	0.7
118.53503	0.4
119.03506	4.3
120.01237	1.3
137.02412	0.6
143.03487	1.1
152.07149	0.7
161.04535	1.0
179.05598	1.8
239.03574	1.7
255.86115	0.6
268.03711	0.9
330.20865	0.9
368.14807	0.9
383.11935	0.9
383.17004	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	383.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.7
59.01378	100.0
70.95470	2.1
71.01384	35.4
73.02943	7.0
81.67761	1.0
83.01383	2.7
85.02947	9.8
86.00101	1.4
87.00874	3.7
89.02477	2.6
99.00911	2.4
100.48039	1.1
101.02438	15.3
112.98759	1.2
113.02444	7.2
119.04996	1.8
133.86801	1.0
139.16750	1.1
147.06642	30.9
159.03000	1.7
161.04549	8.6
163.04002	1.8
173.08208	4.6
185.02159	1.6
201.07689	6.0
209.08179	1.2
263.08618	1.6
263.11337	29.0
264.11685	1.3
291.10852	12.6
292.11099	1.3
323.13211	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.7
61.98826	1.3
69.44093	1.9
71.01359	0.6
75.85822	0.3
87.55668	0.2
96.96017	0.5
98.20633	0.5
100.52457	0.2
100.77411	0.3
106.05854	0.3
117.03424	0.4
121.02950	1.2
137.02428	1.2
138.43532	0.3
145.01508	0.3
159.13408	0.3
163.03941	1.8
164.04782	100.0
165.05104	4.8
166.17929	0.3
179.07126	92.2
180.07457	5.0
215.05235	0.3
223.13266	0.4
232.04022	0.3
267.12372	0.6
268.03799	1.2
269.04453	0.5
311.05566	1.4
327.59653	0.3
383.07642	2.6
383.13211	1.4
383.17584	0.6
384.07816	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01709	1.7
69.96093	2.2
72.07594	0.5
86.74989	0.5
93.03448	5.9
98.20016	0.6
108.19238	0.5
113.02457	0.8
115.16978	0.5
137.02438	11.3
138.02797	0.8
148.34947	0.5
168.77890	0.5
178.58267	0.5
208.87567	0.6
232.14502	0.5
281.06641	3.4
301.07050	0.7
394.21567	0.6
405.47308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13879	1.1
59.01368	3.5
59.21578	1.1
61.98829	5.3
69.29410	1.1
71.01378	2.1
110.81645	1.0
117.03456	1.6
135.04488	3.8
145.02948	1.9
146.03729	100.0
147.04047	5.4
149.02419	1.2
158.56122	1.0
161.06073	56.8
162.06400	3.2
163.04071	1.2
164.04788	6.4
178.06276	1.4
179.03654	5.8
179.07132	80.1
180.07428	5.2
268.65158	1.2
297.07672	2.6
328.05795	1.2
365.06540	1.4
383.07614	16.3
384.08090	2.3
391.49841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0768
Annotation	Nidurufin
Peak:m/z	Relative Intensity
50.56731	0.1
52.99708	0.1
59.01385	0.3
61.98809	0.2
63.02383	0.6
65.00319	0.6
65.03973	0.1
69.40849	0.1
71.01376	0.5
71.56321	0.1
71.56676	0.2
76.40625	0.1
77.49947	0.1
83.01378	0.6
91.01884	0.3
93.03465	0.7
95.01390	0.8
96.95998	0.1
97.02943	0.5
99.49762	0.1
102.52213	0.1
107.01386	1.8
109.02956	0.3
113.02414	0.2
117.03442	9.1
118.03775	0.3
119.05021	0.2
121.02967	0.7
123.00881	0.3
131.04964	0.1
132.02119	0.1
133.02945	0.6
135.00885	0.2
137.02425	0.4
145.02911	0.3
148.01610	0.6
149.02412	1.6
149.99553	0.4
151.00343	2.4
151.01540	0.2
159.04428	0.3
161.02454	0.8
163.00366	0.3
163.04062	0.3
165.01913	0.4
167.04985	0.2
169.06517	0.2
171.04495	0.5
172.05241	0.4
173.02402	0.3
175.00342	0.2
180.05743	0.3
181.06607	0.2
183.04485	0.5
184.05234	0.2
185.02391	0.2
187.03970	0.2
189.01936	0.2
191.03439	1.3
193.01385	3.1
195.04424	0.4
196.05276	0.8
197.05911	0.3
198.03160	0.2
199.03914	0.2
200.04683	0.5
201.05553	0.3
209.05986	0.5
211.04005	1.3
211.07468	0.1
212.04770	0.8
213.01932	0.2
215.03487	0.2
223.03889	0.2
224.04716	0.4
225.05550	0.9
225.07492	0.2
227.03415	0.3
233.51523	0.1
237.05388	0.3
239.03455	2.7
239.07210	0.4
240.04236	3.2
241.04765	0.4
244.56943	0.1
251.03448	0.2
252.04228	0.7
253.05048	3.1
254.05397	0.2
255.02991	0.6
256.03406	0.1
265.04999	0.6
265.23361	0.1
267.02917	1.6
268.03726	65.6
269.04388	15.4
270.04874	1.2
281.04526	4.1
282.02142	0.2
282.04800	0.7
283.06024	0.6
284.03241	0.8
293.04465	0.2
295.06076	0.2
297.03986	0.2
311.05569	66.3
312.05920	6.3
337.07080	0.2
383.07663	100.0
384.08005	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	382.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49173	1.0
59.01378	18.7
60.01701	2.9
61.01792	4.3
61.98827	100.0
70.30327	3.9
77.64526	0.9
80.07111	1.1
98.20710	1.1
137.09718	1.3
142.77095	1.1
161.76904	1.1
260.62521	1.1
291.19855	1.0
309.20563	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	382.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01713	1.2
61.98826	1.2
69.96239	0.4
70.48111	1.1
70.48509	0.8
87.38813	0.5
98.20589	0.5
99.80113	0.4
130.62592	0.5
233.77980	0.5
234.85880	0.6
322.27435	0.9
325.18521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86552	4.1
57.03445	21.8
59.01373	17.8
61.89468	4.1
63.93930	4.0
70.09499	10.2
70.09892	9.3
71.01385	32.9
73.02959	7.6
75.00877	6.1
78.05315	4.1
83.01414	4.2
85.02942	17.1
86.80478	4.4
87.00865	38.9
89.02437	7.7
96.96028	5.4
99.00883	7.6
101.02448	12.5
110.29165	4.2
119.03519	6.8
129.01938	100.0
147.02957	11.7
147.30058	4.1
173.00900	6.1
183.97734	4.3
191.01967	47.8
191.05569	17.4
229.52130	4.3
385.32446	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	382.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29111	1.7
59.01379	100.0
71.01382	35.4
73.02945	52.8
83.01393	10.2
85.02943	2.8
89.02458	10.6
92.27509	2.2
99.00820	2.3
101.02442	33.6
113.02428	10.2
119.03510	1.8
125.02425	3.3
131.03485	3.9
155.03511	2.6
161.04565	2.9
211.25105	1.7
229.23724	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	382.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.1
61.98820	2.1
70.02967	1.2
71.01380	1.4
71.55806	1.0
75.32388	0.7
92.38839	0.7
93.03451	20.3
99.00871	2.6
108.01017	0.7
137.02438	31.6
153.08360	0.7
183.04491	0.9
198.03163	0.7
198.06850	1.5
211.03976	3.7
212.04736	1.0
213.05592	0.7
220.13417	0.8
221.08408	0.8
224.07025	0.7
225.05539	2.3
226.06271	2.3
239.03491	4.7
239.07077	0.9
240.04109	0.8
253.05038	3.9
254.05803	7.0
255.06374	1.0
266.08316	1.0
269.08194	2.3
281.10547	4.4
309.10092	15.7
310.10455	1.8
324.12317	5.4
325.12567	0.9
337.09543	35.4
338.09857	4.8
352.07373	0.9
352.11862	50.7
353.12262	6.4
367.14212	80.2
368.14545	10.2
382.16559	100.0
383.07156	0.9
383.11682	1.7
383.16849	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	382.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43025	0.4
59.01363	0.9
61.98803	0.3
68.01398	1.5
70.02967	4.4
70.40041	0.3
70.93190	0.7
71.01360	0.4
72.99316	0.4
93.03456	0.5
94.02966	0.5
109.02932	0.7
113.42691	0.4
116.05061	0.5
118.06554	0.4
121.02940	6.3
131.07628	0.3
132.04538	1.3
135.04477	0.6
144.04564	0.7
145.02936	1.7
145.05348	0.3
146.02544	0.5
146.03676	3.8
146.06117	0.9
147.03250	5.2
147.04478	1.4
148.03954	0.5
158.06139	0.7
159.03281	0.6
160.04045	4.7
160.05234	0.6
160.07600	1.9
161.04770	2.6
161.06076	2.1
162.05560	1.4
166.02696	0.4
170.06131	0.8
172.03987	2.3
172.07751	0.4
173.04802	6.9
174.03233	1.3
174.05527	1.7
175.03989	1.2
176.04715	0.5
179.03455	1.1
186.05586	0.8
187.06351	1.0
188.03539	0.5
188.07152	4.6
189.05655	1.6
189.07248	0.4
198.05600	1.4
201.04283	0.7
215.05750	0.4
216.06630	100.0
217.06964	7.2
225.05318	0.3
230.08148	0.8
231.09019	0.4
241.08615	0.3
244.06152	0.6
245.06876	1.1
246.07751	0.6
254.05765	1.9
269.08167	3.7
284.10532	1.3
361.47198	0.4
367.14218	8.2
368.14557	0.8
382.16556	66.1
383.07416	0.4
383.12042	0.4
383.16833	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72319	0.9
59.01380	3.5
60.97491	1.0
61.00130	0.9
61.98820	1.9
63.45657	1.2
69.31979	6.1
69.32398	1.9
74.99072	22.8
75.96227	1.4
79.50703	1.0
91.01634	2.1
91.02206	41.2
93.00131	10.7
102.51601	1.0
119.57610	0.9
119.92651	0.9
159.08456	100.0
160.08662	3.8
161.06393	11.9
173.95326	1.0
217.00354	1.6
222.91870	1.1
365.10999	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	381.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10372	0.4
53.34338	0.4
59.01377	100.0
60.01714	0.8
61.98826	1.1
71.01376	0.6
71.55714	0.8
76.88162	0.4
79.93175	0.4
91.54555	0.4
96.96006	0.7
101.02492	1.0
145.93201	0.4
146.67902	0.5
174.03224	0.8
175.04034	0.7
218.02179	3.8
345.15720	1.0
381.08380	3.9
381.16138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20452	1.2
53.62711	1.2
55.01862	1.3
58.00599	1.8
59.01375	100.0
61.99123	1.3
67.56288	1.3
69.03436	2.1
70.85825	1.4
71.01380	38.7
71.56387	2.2
72.99285	2.7
73.02940	58.7
73.80495	1.3
74.61977	1.1
83.01389	15.0
85.02946	5.1
87.84348	1.3
89.02429	9.5
89.53461	1.5
95.01365	2.4
101.02437	43.4
113.02441	14.4
119.03464	1.8
125.02409	1.4
131.03470	3.6
132.67940	1.3
143.03542	2.5
143.71930	1.2
155.03445	2.0
161.04561	6.6
175.18951	1.3
175.51788	1.4
179.94075	1.4
185.85825	1.4
235.85448	1.3
383.07941	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	380.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22176	0.5
50.56458	0.6
58.32400	0.5
59.01376	100.0
60.01714	1.3
61.98822	0.9
71.84396	0.5
88.67621	0.5
98.19911	2.0
147.00780	0.5
147.12749	0.5
174.99210	1.1
187.47879	0.6
192.65079	0.7
212.91203	0.6
217.00255	3.6
229.36252	0.6
320.25922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
59.01377	100.0
60.01709	1.2
61.98820	1.7
67.61729	1.1
71.01389	6.6
71.56539	1.4
73.02938	6.3
74.73684	1.1
77.23025	1.1
83.01374	1.5
85.02943	8.0
97.67749	1.2
99.00903	3.5
101.02437	25.2
112.41173	1.2
113.02420	3.8
126.15346	1.1
127.85983	1.3
225.76622	1.2
248.29671	1.2
293.34970	1.1
319.21225	28.7
320.21518	2.5
358.82220	1.4
398.63110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06274	45.1
70.77051	100.0
104.42759	43.0
105.40257	46.4
124.27091	39.6
137.40085	48.1
150.98248	46.3
169.30724	45.3
176.60959	50.3
200.20332	47.7
210.41986	44.6
231.61252	39.7
253.11957	44.4
361.37939	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90527	3.8
59.01376	49.0
69.04605	4.5
69.16273	25.8
69.16701	16.2
70.35335	3.6
71.01383	33.1
72.01739	5.5
77.49806	4.0
85.54881	4.5
87.00895	6.4
87.91457	3.8
89.02427	33.0
89.78695	4.3
98.19849	9.4
100.12562	4.1
100.95154	3.6
101.02421	16.9
113.02412	11.4
115.02100	4.1
119.03489	9.3
120.03821	6.0
146.08231	15.3
149.04565	8.4
156.03470	5.2
157.03104	10.7
160.31888	4.2
174.04558	5.6
175.04169	16.2
179.05591	6.5
180.05940	11.1
191.08456	3.9
217.02869	9.7
218.03168	8.9
342.07248	7.9
342.11160	100.0
343.11398	13.2
344.11679	5.8
350.94135	4.4
380.08612	91.1
380.15491	27.6
381.08701	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	379.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01377	100.0
60.01702	1.4
61.98835	1.3
70.88347	1.0
71.01373	2.6
72.99307	1.0
73.02945	2.5
75.00880	3.0
79.95736	1.6
83.01398	1.2
85.02911	0.6
89.02454	1.8
96.96011	0.6
99.87972	0.4
101.02457	3.9
107.23012	0.4
113.02450	1.6
119.03526	0.8
122.06122	0.5
131.03531	0.5
136.05301	0.6
137.06104	0.5
145.75160	0.4
149.04546	0.5
151.07646	0.5
161.04570	1.1
163.07622	0.5
172.09985	0.4
179.03461	0.7
181.05130	0.9
181.08659	3.6
239.10950	0.7
319.06537	1.4
319.13980	1.7
343.10236	0.8
343.14050	1.6
361.15326	0.6
379.11472	0.8
379.15771	3.3
380.08295	1.1
385.83356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.03435	0.7
59.01377	100.0
60.01708	1.4
61.98830	1.1
69.84917	1.6
71.01394	2.6
71.87579	0.4
73.02937	3.3
83.01405	1.1
85.02965	0.7
89.02460	1.4
99.08183	0.4
99.32808	0.5
101.02433	3.6
113.02448	1.4
119.03499	1.2
123.93725	0.4
131.03577	0.7
135.04565	0.6
143.03506	0.4
149.04561	0.5
153.05693	0.5
161.04591	1.5
164.66374	0.4
181.05063	1.3
262.94717	0.4
297.09750	0.7
319.13715	0.5
343.10257	0.7
379.16251	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	377.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64685	0.7
57.03431	0.8
57.08998	0.8
59.01374	20.8
61.98829	2.0
62.69707	0.7
64.99158	0.7
69.03450	0.8
70.13885	3.2
83.05024	0.8
87.27471	0.7
88.02198	0.8
91.70775	0.7
93.68742	0.9
95.05025	1.4
98.20589	0.9
102.59235	0.9
125.09665	0.9
125.28032	0.9
135.64972	0.8
151.11174	0.9
171.08795	1.7
171.10265	34.7
172.10617	1.8
249.22324	1.0
259.20621	0.9
277.21695	40.6
278.22018	2.9
295.22748	100.0
296.23083	10.1
317.20932	30.7
318.21429	2.6
333.22897	1.0
335.20813	1.5
361.19983	4.8
377.22919	30.9
378.23105	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	378.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
61.98827	100.0
66.76931	0.4
68.57819	0.4
69.20433	0.6
69.20834	3.1
71.62942	0.4
94.20019	0.3
115.12383	0.3
120.53670	0.3
123.04594	0.3
153.05568	0.8
180.75919	0.3
186.97444	0.4
204.48715	0.4
374.01843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97081	0.3
52.09682	0.3
57.15580	0.3
59.01369	1.5
61.98825	100.0
64.26777	0.3
69.46012	0.8
69.46423	1.5
78.91876	0.7
98.20657	0.5
100.29207	0.3
108.02167	0.4
111.00423	0.4
112.94624	0.3
122.99434	0.3
123.04521	0.8
175.03894	0.4
182.20427	0.3
200.95598	0.7
256.06833	0.7
293.20969	0.4
378.18900	7.1
379.19107	0.6
382.31351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92870	1.1
59.01376	100.0
61.98816	3.1
63.57183	1.0
65.83527	1.0
69.51521	3.2
69.51952	3.9
96.96005	1.1
98.20710	1.9
101.02338	1.0
120.92574	1.1
147.76277	1.2
211.13383	21.2
212.13545	1.2
285.16919	2.4
292.36606	1.1
377.22015	1.7
377.28088	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	377.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81576	5.5
59.01376	100.0
61.98835	67.3
64.45918	6.6
69.79069	17.6
69.79484	19.7
71.01375	39.4
72.99326	8.4
73.02963	10.8
77.80197	6.5
85.02938	17.7
89.02450	30.8
96.00941	6.7
96.96023	15.1
98.20568	8.9
101.02407	34.9
113.02455	15.5
116.03527	6.4
119.03479	13.4
153.09216	23.5
161.04573	6.6
179.05591	11.8
197.08197	8.7
341.11060	18.1
377.08780	25.0
377.14212	28.3
377.18414	27.2
377.22327	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	377.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07829	0.3
55.01874	1.6
57.03444	1.6
58.00594	0.6
59.01376	100.0
60.01709	1.2
69.03474	0.4
70.86607	0.8
71.01380	18.7
71.05039	0.6
72.01752	0.3
72.99310	0.9
73.02938	5.1
83.01385	2.7
85.02944	9.2
87.00887	0.9
89.02438	6.9
94.08589	0.4
95.01382	1.7
99.00886	2.0
99.08160	0.4
101.02438	13.8
102.02799	0.5
111.00883	0.4
113.02442	8.3
119.03472	2.1
120.32447	0.3
125.02449	0.6
127.11380	0.7
129.02007	0.4
143.03532	1.0
159.03023	1.8
161.04549	8.8
162.04961	0.5
173.15424	1.9
211.13396	0.7
293.93988	0.5
317.19785	1.2
335.20728	22.3
336.21124	2.3
350.96429	0.4
363.13699	0.4
377.21863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37807	1.0
59.01104	1.7
59.01376	21.9
61.98817	2.4
65.76643	1.0
69.16734	11.8
70.91113	1.2
77.03766	1.0
97.06563	1.1
98.19836	2.3
114.09473	1.3
115.67540	1.0
121.13165	1.0
125.09681	3.7
130.84506	1.1
131.48834	1.1
149.09625	1.8
151.72115	1.1
174.99200	2.8
185.11809	11.0
197.11775	3.1
214.35947	1.0
217.00259	9.0
239.99690	1.1
247.20898	1.4
249.22214	1.2
293.21207	100.0
294.21591	11.1
315.19370	33.2
316.19733	4.5
375.21313	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	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.3
57.15709	1.2
59.01378	27.6
61.55990	1.0
62.78321	1.2
66.58920	1.3
75.53883	1.3
82.76949	1.1
109.06587	1.3
111.08153	1.3
113.09721	20.1
121.06606	2.0
121.10252	2.8
139.11288	2.6
167.10754	3.3
171.10255	3.9
174.99231	2.6
179.10796	2.4
195.13907	2.2
215.10478	1.1
217.00311	10.0
217.12050	1.7
247.09625	1.2
247.20680	1.5
249.10976	1.6
249.22031	2.6
275.20078	7.1
293.21213	95.7
294.21512	10.0
315.19382	100.0
316.19708	11.5
375.21481	7.8
376.20984	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	376.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17520	1.0
55.01845	1.0
57.03450	0.9
58.00580	2.0
58.28481	0.9
59.01378	100.0
60.01714	1.6
61.98829	11.4
71.01382	31.5
71.57249	1.5
72.01734	1.2
72.99303	2.9
73.02924	2.1
78.43810	1.0
81.61696	0.9
83.01349	0.9
85.02960	4.4
87.00867	3.4
89.02442	47.8
95.01377	1.2
96.96016	1.5
98.02445	0.9
101.02442	15.5
109.02938	0.8
113.02445	12.1
119.03506	15.6
125.02425	0.7
131.03497	1.5
135.04520	5.0
135.96361	0.8
143.03494	2.9
149.04564	1.8
161.04538	3.5
179.05614	9.0
179.07079	1.5
179.66940	0.7
191.04953	0.8
215.03609	0.8
341.10846	2.6
377.08545	2.9
377.13281	2.0
377.21344	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	34.7
60.61938	0.8
61.98823	1.8
71.01390	1.2
71.58376	1.2
90.08901	0.9
93.03429	0.8
95.05019	29.2
96.05339	1.2
98.06745	0.8
103.86325	1.0
121.10239	6.4
141.09274	1.0
150.02953	1.0
164.31979	0.8
171.10252	14.1
172.10712	1.0
174.99222	3.0
179.14432	1.6
195.13846	9.0
211.13382	1.6
217.00278	14.4
223.13371	7.0
231.21236	1.5
246.12296	11.0
247.01089	1.0
249.06200	1.5
254.02733	1.2
256.12943	1.9
275.20142	29.2
276.20468	3.7
278.11337	66.4
279.11591	4.3
293.21210	100.0
294.21533	14.1
315.19382	30.7
315.22058	0.6
315.23126	1.0
316.19696	3.2
338.12143	7.5
339.12354	1.2
359.18185	2.1
374.98740	1.2
375.21439	15.0
376.21616	1.8
393.19897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55756	1.1
59.01380	50.1
62.18242	1.0
64.64395	1.1
71.02474	1.2
78.34550	1.1
95.05029	4.6
109.06598	1.8
121.10226	30.4
125.09735	2.0
171.10265	68.8
172.10629	2.3
174.99234	4.1
183.13965	3.2
207.09938	2.0
217.00291	14.3
220.22375	1.2
231.21078	6.5
235.17075	1.5
253.09256	2.2
275.20135	95.3
276.20535	11.0
278.11359	9.2
293.21213	100.0
294.21570	11.5
297.18515	2.8
315.19388	49.1
316.19739	5.5
359.18353	9.5
360.18808	1.3
375.21329	46.4
376.21564	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	375.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21220	0.7
54.12998	0.6
59.01377	100.0
60.01715	1.8
61.98836	2.1
69.39083	5.8
71.01391	2.5
79.02997	0.7
85.02940	1.3
89.02458	3.1
96.72037	0.6
98.19806	1.2
101.02443	1.8
109.98385	0.7
113.02459	1.3
119.03512	1.1
133.80144	0.7
156.92856	0.7
174.99281	2.0
217.00354	6.6
218.00412	0.7
230.02505	0.8
261.49283	0.9
375.27426	9.1
376.27881	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52375	0.5
57.03445	3.6
59.01376	100.0
60.01710	1.8
61.98819	0.5
67.20622	0.5
71.01385	2.4
71.56525	0.8
89.02435	3.5
92.57727	0.5
101.02428	1.3
119.03461	1.5
119.71404	0.5
127.11288	2.8
141.73686	0.5
164.89586	0.6
169.67851	0.5
187.31888	0.5
211.17044	0.8
213.18553	4.0
217.00276	2.0
225.18619	0.8
265.21710	0.8
271.94577	0.6
277.74811	0.5
281.24869	0.7
329.27020	0.9
339.41663	0.5
375.27460	30.2
376.27792	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	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56118	0.5
55.01877	5.4
57.03438	1.6
58.00591	1.3
59.01379	46.7
61.98827	0.9
66.68398	0.5
69.45985	0.9
69.46391	3.4
70.72557	0.5
71.01382	24.2
72.99316	2.1
73.02949	1.3
75.00877	6.0
77.88313	0.6
83.01392	1.8
85.02946	4.1
89.02438	18.0
95.01395	2.2
99.00888	0.9
101.02437	12.9
111.08165	0.9
113.02451	6.6
118.27897	0.5
119.03531	6.7
121.02990	1.8
124.86662	0.5
129.01952	2.9
147.02980	2.8
155.73125	0.5
165.04041	14.6
165.05464	1.0
165.12851	8.8
183.13881	34.7
184.14233	2.2
195.13876	10.3
196.14183	0.6
213.14944	3.9
217.00406	0.7
227.12877	30.4
228.13307	2.2
271.53027	0.6
276.02399	0.6
357.19260	0.8
375.16528	7.8
375.20319	100.0
376.17084	0.9
376.20667	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	375.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.7
61.98822	1.6
62.21215	0.8
71.01380	11.6
76.35667	0.8
80.91656	2.1
94.12255	0.9
127.07636	1.5
151.07597	1.0
164.45560	0.8
174.99252	4.7
177.09105	4.5
190.09978	1.7
192.11536	9.9
194.92722	1.0
205.12372	2.8
207.13892	1.6
217.00272	20.1
217.08589	1.2
218.09439	2.0
220.14661	37.8
221.15437	100.0
222.15765	7.0
235.13351	2.5
236.10510	93.7
237.10941	6.7
240.80356	0.9
261.38513	0.9
292.11639	1.1
293.17572	48.3
294.17935	4.2
304.00894	0.8
318.09549	4.2
321.15561	1.2
331.26904	1.0
352.71033	0.8
374.99313	1.0
375.17822	12.3
376.18167	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	375.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62341	0.5
69.29900	0.5
70.28513	1.2
74.99069	2.5
78.56709	0.5
93.00123	1.3
118.96495	0.5
141.90041	0.5
145.60840	0.5
149.00879	0.6
159.07170	1.0
159.08447	10.8
161.06387	1.2
192.97989	0.7
209.01256	1.9
217.07076	0.9
224.65672	0.6
275.06055	1.0
277.07498	2.5
289.07449	1.9
291.09067	94.1
292.09210	13.6
309.10168	0.8
309.25983	0.6
357.13782	1.8
359.15305	100.0
360.15479	16.9
375.18387	10.7
376.18533	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	375.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74367	3.8
74.99070	2.6
93.00133	0.7
143.05341	1.1
159.08441	10.4
161.06380	2.4
192.98131	1.3
209.01237	2.5
217.07166	1.1
275.05930	1.0
277.07495	2.7
279.23468	0.7
287.35541	0.8
289.07520	1.9
291.09067	98.2
292.09201	15.3
357.13608	2.1
359.15308	100.0
360.10831	0.9
360.15421	18.3
375.18423	9.5
376.18481	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	375.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.3
61.98818	3.2
62.45910	1.2
71.55634	1.5
75.00858	10.5
85.36398	1.2
96.96001	2.2
114.93359	1.3
115.78983	1.1
119.08769	1.1
120.69773	1.1
136.14511	1.2
143.16484	1.1
277.21695	100.0
278.22055	9.0
293.17889	2.0
311.25476	1.1
388.92892	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.8
59.01376	63.4
61.98811	7.2
71.01379	30.3
71.56263	2.4
72.99287	3.2
73.02959	3.0
83.01376	3.2
85.02950	7.9
87.00859	3.5
87.35844	1.6
89.01922	2.3
89.02447	25.6
95.01373	1.9
99.00873	2.3
101.02444	16.9
113.02443	15.4
113.36523	1.6
113.70599	1.7
119.03484	13.0
121.02874	2.0
122.03723	3.6
131.07159	3.3
135.04520	4.8
137.02406	2.1
137.06076	4.0
137.48331	2.0
138.03186	6.7
138.98680	1.6
143.03523	1.8
143.53252	1.7
147.04459	1.8
149.06058	2.8
151.03999	3.5
153.05571	16.3
161.02411	1.9
161.04649	2.1
175.04021	2.5
180.04222	5.5
195.06561	7.2
217.00305	2.9
224.76669	2.0
293.12360	4.4
315.10822	100.0
316.11160	7.6
332.14810	3.0
339.07172	12.2
348.76755	1.7
375.06754	2.8
376.10178	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	375.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80327	1.6
55.01864	3.9
57.03415	2.7
58.00588	3.6
59.01376	95.5
61.95140	1.9
62.32768	2.1
63.63381	1.9
69.47660	3.9
69.48071	8.8
71.01376	69.6
72.99293	5.7
73.02929	6.3
83.01375	9.2
85.02923	16.4
87.00858	3.6
89.02432	63.4
95.01369	5.7
99.00877	4.3
101.02438	52.3
113.02440	26.0
119.02675	2.7
119.03492	31.7
122.02456	2.3
131.03488	2.2
132.80069	1.8
143.03426	3.4
146.04512	2.5
149.04500	2.1
158.54155	2.0
161.04552	8.0
166.91623	2.1
176.98186	2.5
179.05589	5.3
194.99301	2.2
208.53369	2.1
303.06241	3.5
357.15613	10.6
375.12378	4.4
375.16513	100.0
375.20132	4.1
376.17087	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52887	1.0
53.71733	1.0
55.01866	1.4
59.01377	100.0
60.01723	1.8
69.43481	7.3
71.01381	15.9
73.02940	4.4
83.01392	2.1
85.02954	7.1
89.02438	1.4
99.00847	1.9
101.02439	10.3
113.02429	5.5
143.64760	1.0
161.04527	5.6
209.71292	1.0
266.67050	1.0
289.16583	8.1
290.17062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04668	0.8
55.99144	0.9
58.48864	0.8
59.01377	100.0
60.01719	1.0
61.98835	2.2
69.92744	1.7
69.93157	2.8
71.01379	13.6
73.02945	9.5
83.01355	3.5
85.02937	3.8
87.91405	0.9
89.02428	9.5
95.01395	1.5
101.02437	12.3
103.98366	0.9
113.02458	5.9
119.03486	2.9
131.03493	1.3
131.25662	1.0
143.03467	1.1
147.16356	0.8
148.77332	0.8
161.04506	1.3
179.05594	2.2
217.00220	2.6
284.69913	0.9
291.44534	0.9
375.27542	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.8
57.03437	1.2
58.00590	1.7
59.01380	48.2
59.38153	0.4
60.01719	0.8
61.98834	0.7
62.22386	0.4
71.01381	28.2
72.01704	0.8
72.99318	2.4
73.02935	2.0
75.00861	7.2
83.01378	1.9
84.35457	0.5
85.02946	8.5
87.00860	1.4
89.02443	22.2
95.01361	1.7
98.19858	1.7
99.00870	0.8
101.01793	0.9
101.02444	16.7
108.19036	0.5
109.02911	0.6
111.08158	1.2
113.02456	7.9
119.03498	6.8
121.02999	2.4
129.01938	3.9
135.48691	0.5
135.98347	0.5
147.02983	4.2
159.23134	0.5
165.04039	14.5
165.05457	1.2
165.11430	0.7
165.12831	14.0
166.13133	1.0
169.18477	0.5
171.87199	0.6
179.67653	0.5
183.13890	52.1
184.14244	3.7
195.12297	0.8
195.13921	9.9
209.11848	1.2
213.14952	4.3
214.42537	0.5
217.00320	0.8
220.68019	0.6
227.12871	48.6
228.13191	3.6
357.18817	0.7
360.15894	0.8
375.16431	14.8
375.20178	100.0
376.16965	1.7
376.20737	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	373.259
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.37694	0.1
54.29887	0.1
54.47462	0.1
57.03446	2.3
58.00574	0.2
59.01381	2.0
61.98815	0.7
63.58322	0.2
69.03458	0.4
71.01364	0.6
71.58266	0.2
73.02939	0.5
79.05541	0.2
83.01384	0.2
83.05031	0.9
85.02954	0.4
85.06590	0.1
87.04500	0.6
89.02447	0.4
93.07090	3.0
95.01402	0.1
95.05022	0.3
97.06597	3.1
99.00861	0.2
101.02435	0.3
109.06564	0.4
111.08134	0.3
113.02450	0.3
123.08159	0.8
125.74695	0.1
133.10213	0.2
135.08110	0.2
139.11276	0.3
151.03955	0.2
155.84714	0.2
183.13876	5.2
184.14148	0.2
185.11812	13.2
186.12173	0.8
199.13359	1.0
201.14944	0.2
213.14949	1.8
225.14952	6.3
226.15260	0.3
227.16510	2.1
228.16800	0.3
239.16544	0.7
246.43617	0.2
255.15892	0.9
256.16193	0.2
257.17557	10.6
258.17859	0.9
271.19083	0.2
307.22678	0.3
313.23917	0.8
325.23767	0.6
335.69269	0.2
343.24838	5.1
344.25327	0.8
355.24765	1.6
356.25186	0.2
373.25912	100.0
374.26270	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	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	32.8
61.98830	100.0
68.48130	2.5
71.25412	2.8
71.58409	4.4
75.14437	3.4
95.60179	2.6
141.21825	3.0
143.22852	2.4
147.78870	2.7
174.99214	9.4
197.02101	2.8
197.11720	2.7
217.00264	32.9
293.21204	7.7
313.19901	2.6
374.30533	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	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
58.00607	0.4
59.01378	100.0
60.01709	1.1
69.24361	0.5
69.24759	3.3
71.01379	12.5
71.10236	0.4
72.99289	0.6
73.02943	7.6
82.68586	0.3
83.01405	1.4
85.02930	1.8
89.02441	9.2
92.20451	0.4
95.01401	0.8
101.02444	8.7
101.03095	0.5
113.02451	5.3
113.03165	0.6
116.64425	0.4
119.03510	3.2
121.69353	0.5
131.03510	0.9
143.03540	0.7
161.04597	1.3
179.05632	0.6
184.74635	0.4
259.63815	0.4
309.38779	0.4
331.17828	0.8
341.11728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.01374	18.3
60.29238	0.6
61.98815	1.2
66.81458	0.6
70.21727	2.9
77.26379	0.7
83.05061	0.7
85.26498	0.7
90.61649	0.6
93.03467	1.1
93.07081	1.7
97.06570	1.4
106.83586	0.7
121.10222	14.3
122.10529	1.2
123.08159	1.6
125.09736	5.4
141.12868	1.0
147.08157	1.4
165.09100	0.7
185.11807	10.4
186.12128	0.7
189.03130	0.8
197.11818	3.5
207.09959	3.4
209.11737	1.4
211.13315	1.1
217.15915	1.1
223.13278	0.7
227.89087	0.8
245.19037	6.4
246.19406	1.0
258.48697	0.7
291.19635	61.0
292.20004	5.8
295.16943	1.1
311.16263	1.0
313.17828	100.0
314.18188	12.8
373.19296	2.0
373.52148	0.7
379.34216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24739	1.6
60.29922	1.7
60.53273	1.6
61.98848	1.9
68.66062	1.7
71.01396	7.3
71.13589	2.7
71.13928	2.5
73.02945	6.0
87.00874	4.6
89.02444	31.7
105.01908	3.1
131.03514	7.3
131.09348	1.6
149.04550	100.0
150.04819	2.8
165.04088	2.6
189.13562	1.8
223.26797	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	373.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.0
59.01377	100.0
60.01707	1.5
65.92860	1.1
68.11467	1.2
69.52695	7.7
69.53095	2.7
71.01047	1.3
71.01382	10.7
71.33215	1.1
73.02936	4.5
73.22532	1.1
83.01411	1.3
84.20296	1.2
84.95078	1.2
84.97224	1.2
85.02941	5.3
87.00857	1.8
89.02453	1.6
93.07069	1.4
95.01357	1.4
101.02457	6.1
113.02447	6.8
124.98306	1.2
138.65639	1.3
151.05011	1.3
153.01892	1.5
161.04520	4.9
169.06175	1.2
180.25986	1.4
225.14952	45.7
226.15334	3.4
243.16029	5.1
268.03540	2.3
269.04492	2.1
269.13806	6.9
274.27969	1.4
275.07068	2.2
329.15924	5.0
331.17648	2.5
343.24841	1.7
355.09503	1.9
362.97479	1.4
373.21640	2.6
373.25900	41.0
373.30670	2.1
374.26157	5.1
395.57730	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	373.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24973	0.3
57.03436	0.6
58.00572	0.4
59.01375	100.0
60.01709	1.2
60.06330	0.4
62.19512	0.4
63.24202	0.4
69.74397	2.3
71.01379	11.4
72.01694	0.4
72.99333	0.6
73.02940	7.6
78.54910	0.4
83.01381	2.0
85.02960	1.8
86.73280	0.4
87.00835	0.4
89.02438	10.1
91.35577	0.4
95.01390	0.8
101.02438	9.1
103.31406	0.4
113.02440	5.6
119.03495	3.4
124.08983	0.4
127.97047	0.4
131.03523	0.8
132.04602	1.1
143.03485	0.9
149.04504	0.7
152.07210	1.3
161.04617	1.4
174.87090	0.4
179.05611	0.8
208.83014	0.4
245.90259	0.5
297.12463	0.7
331.17526	0.5
339.98196	0.4
341.11548	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50904	1.7
58.20271	1.7
59.01374	9.0
61.98827	100.0
69.55941	1.6
83.01381	5.6
101.29948	1.5
121.02937	3.4
121.50791	1.6
206.75764	1.7
286.36526	2.1
292.65936	1.8
356.54849	1.8
372.15027	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15040	1.2
59.01381	6.1
61.98829	100.0
74.34866	1.1
83.01401	3.0
121.02949	2.4
136.05231	1.7
150.63644	1.0
157.48674	1.1
191.23282	1.2
196.76157	1.1
229.69400	1.4
234.08388	1.9
235.08661	2.2
236.08952	2.4
324.69302	1.3
372.14261	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	373.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83970	2.4
59.01378	11.0
61.98825	30.1
69.86243	14.2
71.01377	10.3
72.99318	9.5
73.02963	2.9
75.00863	9.4
82.02966	3.5
83.01381	3.2
85.02951	4.1
87.00872	7.4
89.02426	23.4
90.65910	2.5
96.96008	6.4
101.02415	3.8
103.03968	2.8
105.01924	14.4
110.02481	12.1
117.35206	2.7
121.03025	2.6
124.01653	3.0
125.02422	7.6
127.05095	3.7
128.03546	6.5
129.01942	3.0
129.03862	3.0
130.08755	13.1
131.03481	6.0
139.04076	6.2
149.04539	100.0
151.03941	3.3
153.01961	10.3
165.01982	3.4
165.03915	2.4
167.03625	3.0
168.04190	3.8
200.05598	3.9
243.06131	18.0
314.16342	3.4
373.21432	3.4
395.92065	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	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76516	0.4
55.48230	0.4
59.01378	100.0
60.01706	1.2
69.39927	3.8
71.01431	0.6
86.09458	0.5
88.45483	0.5
128.51067	0.5
149.19400	0.5
167.18295	0.5
182.96620	0.5
191.87120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.4
56.35556	0.3
59.01378	4.1
68.78494	0.4
71.01385	2.9
71.56913	0.6
73.02937	1.1
78.95908	0.6
81.35660	0.4
83.01376	2.0
83.67362	0.4
85.02937	1.3
89.02459	0.5
96.96031	0.9
101.02439	2.2
113.02447	1.0
113.77837	0.4
121.03011	0.6
136.05292	0.5
137.09674	0.4
139.11275	0.5
161.04568	1.2
167.10762	100.0
168.11093	5.1
175.65013	0.4
209.15442	0.7
279.24850	0.4
317.66498	0.5
371.15146	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.0
57.03447	10.4
58.00591	1.2
59.01376	100.0
60.01690	1.2
61.98821	1.6
62.27301	0.9
69.03442	1.3
69.42515	5.8
69.42926	2.1
71.01376	49.6
72.99293	2.1
73.02944	35.9
74.03262	1.3
75.00864	3.4
81.03446	3.2
83.01382	14.2
85.02945	12.9
87.00861	2.6
89.01926	1.6
89.02441	19.5
93.03490	0.9
93.71776	1.1
95.01379	4.2
97.02861	1.1
98.20660	2.0
99.00903	2.4
99.04536	6.1
101.01788	1.9
101.02438	33.6
113.02441	22.5
119.03517	6.5
121.02940	7.4
123.04533	1.5
125.02425	2.9
129.01939	5.6
131.03482	2.1
134.03732	21.4
143.03503	1.0
147.03053	4.9
147.04468	3.8
149.02429	43.7
149.04283	1.6
149.06067	30.6
150.02753	2.0
150.06406	1.1
152.04709	1.2
153.05569	5.2
155.03540	1.0
161.04559	5.0
164.04779	32.1
165.03986	2.5
167.03426	2.4
177.04092	1.3
179.05553	2.4
179.07056	2.4
193.05022	1.3
194.21846	0.9
195.05151	1.4
208.03860	2.3
209.04471	5.3
223.06093	57.6
224.06439	4.5
224.08380	1.0
239.05493	1.2
304.15390	1.0
311.11301	13.2
312.11548	1.9
329.12302	3.5
334.08582	1.0
371.09726	5.7
371.13638	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	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73565	1.5
55.01868	4.6
57.03444	81.7
58.00576	2.0
58.03778	1.8
59.01373	71.4
59.36728	1.6
61.98813	1.9
69.03461	2.1
71.01378	29.3
71.56499	1.8
72.99285	5.8
73.02924	6.9
75.00869	28.5
81.03448	17.8
83.01365	12.3
85.02924	17.5
85.62597	1.7
86.62469	1.8
87.00871	8.7
89.02448	10.7
93.03455	1.8
94.06610	1.9
95.01366	6.7
99.00863	10.8
99.04507	51.7
101.02426	19.5
103.00378	3.2
108.04550	2.9
113.02444	26.4
115.00389	2.2
117.01927	3.3
118.96989	1.7
120.02150	1.5
120.27819	1.7
121.02945	100.0
122.03295	5.3
123.04500	4.0
125.02413	6.9
129.01950	6.9
131.03452	2.0
134.03743	4.7
136.05295	2.9
137.02455	2.5
138.03220	4.8
143.03499	1.6
147.02953	3.5
147.04483	2.7
149.02415	21.9
149.06100	3.6
152.01198	1.6
153.05560	55.3
154.05869	3.5
161.04550	2.0
164.04778	12.2
165.01945	4.2
165.04016	23.9
166.05121	10.2
167.03482	6.7
175.02458	2.2
177.04041	3.1
179.07050	2.3
193.04881	2.0
195.05051	2.0
210.04128	3.8
223.06107	20.7
224.06184	2.4
228.16771	2.0
231.05109	6.8
239.37073	1.7
249.06117	64.5
250.06523	4.3
279.05649	2.0
309.13611	2.1
311.11130	2.0
371.09799	63.7
371.14114	4.9
371.23386	2.4
372.09903	6.9
372.14294	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	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95702	0.5
56.04047	0.6
57.03445	1.2
58.20516	0.5
59.01380	3.4
61.98820	1.3
63.01468	0.5
69.03448	1.6
69.98133	1.6
69.98547	1.1
71.01376	14.7
73.02943	10.5
74.71276	0.5
75.00864	0.6
81.03445	0.7
83.01376	3.1
85.02946	8.3
87.00874	55.0
88.01208	0.8
96.96012	1.4
97.02959	1.8
99.00877	0.7
101.02420	2.9
105.01987	0.6
108.02189	1.6
109.02946	2.2
113.02436	1.7
115.00340	0.5
121.02956	1.0
122.02467	1.9
122.03734	1.0
123.04533	1.0
127.04036	1.4
131.03500	2.3
134.03725	0.6
135.04497	1.3
136.01653	21.1
136.05188	0.6
139.04077	0.5
146.03720	2.1
147.04399	0.6
147.40654	0.6
148.05267	1.5
148.09396	0.6
149.06024	1.9
151.03996	24.0
152.01118	0.8
157.05095	0.9
161.02490	0.7
161.06081	1.4
162.03223	1.2
164.04758	1.6
167.03499	1.3
168.04260	0.6
172.05269	0.6
174.03210	1.0
175.03987	2.4
176.04758	0.9
177.05539	1.8
179.07108	3.6
183.17291	0.5
188.04848	0.6
189.05618	0.6
191.07109	1.2
204.04248	1.9
205.04727	0.7
207.06563	1.5
216.04237	1.0
219.06580	3.9
219.93568	0.6
231.06541	0.8
235.05925	2.7
246.05376	0.6
249.05983	1.0
257.83209	0.7
261.07803	0.8
265.07117	1.2
325.09329	0.8
371.09793	100.0
372.10135	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	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80576	0.6
55.01874	9.2
58.29488	0.5
59.01381	7.8
71.01379	3.5
71.55257	1.1
75.00869	3.3
83.01389	2.1
85.02954	2.8
87.00864	0.6
89.02441	1.9
91.05511	1.3
99.00854	0.7
101.02428	1.7
113.02414	0.9
117.03422	0.9
119.03519	0.6
119.04942	0.8
121.02954	14.9
122.03214	0.8
129.01936	10.2
132.02171	1.5
135.04514	1.1
136.05293	1.1
147.02989	9.2
147.04492	5.3
149.02431	74.3
150.02750	3.8
152.01164	1.1
163.04050	1.0
164.04785	52.3
165.03964	2.2
165.05153	2.3
166.05162	0.6
167.03450	0.9
171.15295	0.6
179.07133	3.4
193.01404	1.9
208.03732	4.9
223.06099	100.0
224.06416	6.4
249.06044	0.9
371.10062	5.6
371.14359	1.1
372.10104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
59.01373	4.9
61.98825	6.1
62.08517	0.6
63.87093	0.6
64.23090	0.6
68.99821	0.7
69.03456	1.0
69.48795	4.5
71.01379	7.9
72.99315	1.3
73.02941	6.3
81.03411	0.9
83.01389	2.7
85.02957	5.2
87.00873	75.7
88.01211	1.2
96.96008	1.7
97.02934	1.3
98.20802	0.7
99.00875	1.3
99.29578	0.6
101.02437	2.0
108.02166	1.8
109.02951	2.1
111.15282	0.7
113.02448	2.0
121.02926	1.2
123.04514	1.1
127.04024	1.0
129.01907	1.5
131.03474	1.7
134.03708	1.6
135.04453	0.7
136.01663	13.7
146.03743	4.1
147.04462	1.1
147.06589	0.8
148.05350	1.0
149.06050	2.5
151.03996	18.9
152.01093	0.8
152.04324	1.1
157.04997	1.9
159.04459	0.9
161.06088	1.4
162.03200	1.9
163.03920	1.2
164.04794	2.2
172.05244	1.0
174.03250	1.4
175.03958	1.8
176.04752	1.5
177.05576	1.4
179.07124	5.0
188.04874	0.9
189.05573	0.9
192.04234	0.7
203.30020	0.6
204.04301	1.8
207.06598	2.4
216.04245	1.1
219.06604	5.7
228.04242	0.8
231.06586	1.0
235.06087	2.8
249.07718	0.9
261.07602	0.8
279.08850	0.7
299.57877	0.6
371.09793	100.0
372.10126	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	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95403	1.6
56.91248	1.5
59.01368	5.8
61.98826	100.0
66.25663	1.5
71.35228	1.7
71.35609	2.2
83.01393	12.7
87.00841	1.6
121.02937	4.6
136.05298	3.0
168.04196	3.2
173.22495	1.9
198.18147	1.6
201.43614	1.4
201.99330	1.4
214.26756	1.5
230.17705	1.8
249.96428	1.4
275.14279	1.8
370.09607	2.0
370.13779	3.5
371.14777	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	371.0769
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01376	5.1
61.98830	2.0
66.93755	0.4
69.48061	3.3
71.43130	0.5
83.01387	6.8
93.03490	0.5
101.91303	0.5
121.02953	100.0
122.03292	3.5
128.36324	0.6
136.05301	2.0
139.95149	0.5
144.52454	0.5
149.02397	0.5
168.04259	1.4
179.03482	11.7
180.03804	0.6
293.35858	0.7
356.12488	0.7
371.07657	16.0
371.14642	3.5
372.07974	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	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71940	1.1
57.03418	1.8
59.01381	10.9
61.98828	6.4
68.99809	2.3
69.03457	2.6
70.35732	2.2
70.36131	1.9
71.01376	11.7
72.99295	3.6
73.02932	7.7
75.00882	6.7
78.03461	1.3
81.03446	1.6
83.01369	7.2
85.02934	12.2
87.00871	44.3
89.02448	2.8
95.01382	2.1
96.95990	2.5
99.00861	5.5
101.02433	2.4
103.00365	1.2
108.02161	6.7
109.02953	2.6
111.00880	1.4
113.02452	11.8
113.03180	1.6
121.02935	2.8
122.02480	27.8
122.03423	1.6
122.03741	1.6
123.00841	3.1
123.04562	6.2
123.66695	1.2
129.01967	2.0
131.03462	2.5
134.03728	7.8
135.04497	4.1
136.01646	6.9
136.05305	1.6
146.03723	11.3
147.02939	1.0
147.04428	3.0
148.05270	21.1
149.06081	20.2
150.06467	1.8
151.03984	12.0
152.01118	2.0
158.03685	1.5
159.04539	1.9
160.05263	1.9
161.02419	5.3
161.06070	9.0
162.03214	3.1
163.03963	4.9
163.07640	3.0
163.70184	1.3
164.04755	5.5
165.05452	1.5
167.03513	5.3
172.05228	2.9
174.03116	2.2
175.02515	2.6
175.03943	12.6
176.04770	10.4
177.05495	4.9
178.06262	3.4
179.07091	8.0
188.04784	4.5
190.02716	1.5
191.07164	6.5
192.07295	1.3
203.03508	1.2
204.04271	5.0
205.04938	2.8
206.05801	2.5
207.06706	3.1
208.03665	2.2
209.04524	2.1
215.03345	1.3
216.04218	2.6
217.05020	2.2
219.06699	6.8
221.08157	2.7
231.06798	1.9
232.03717	7.8
235.03722	2.3
235.06085	47.0
236.06467	4.7
237.07520	1.2
247.03732	2.1
247.06108	24.2
248.06500	2.0
249.06093	50.0
261.07410	1.8
265.07111	48.3
266.07462	3.1
295.08328	1.4
307.08148	1.4
325.09238	17.8
352.84232	1.2
353.08765	7.7
354.09088	1.5
371.09790	100.0
371.14252	4.1
372.09613	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	370.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.4
61.98830	100.0
71.51499	1.6
71.51825	2.1
83.01391	10.1
102.63798	1.6
106.89671	1.4
121.02926	4.1
136.05272	2.5
146.53976	1.6
168.04274	3.1
212.61780	1.6
223.13300	1.6
224.77515	1.4
241.19341	1.4
305.23978	1.5
356.12494	2.0
371.15051	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	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46198	1.2
59.01378	9.4
61.98828	100.0
67.93480	1.3
70.10424	4.1
75.03602	1.2
79.26239	1.3
83.01398	10.8
92.31373	1.3
96.96051	1.3
121.02955	27.1
136.05258	2.5
165.99089	2.0
168.04262	2.4
179.03484	1.9
233.95406	1.3
259.03064	1.6
270.05283	2.1
285.07523	3.2
371.07645	4.0
371.14658	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	369.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71707	0.9
55.01873	1.6
57.03423	1.0
59.01376	100.0
60.01718	1.8
61.98805	1.8
63.35281	0.8
63.80954	0.8
67.36169	0.9
71.01382	16.2
71.55530	1.5
72.99317	1.4
73.02936	9.3
75.00859	0.9
83.01375	2.8
85.02934	8.4
87.00872	2.3
87.04505	1.3
89.02430	5.2
95.01389	1.8
99.00859	3.2
101.02426	14.8
105.05569	6.1
113.02463	8.1
117.01934	2.2
119.03478	2.6
122.58675	0.9
134.04716	3.7
147.06590	1.4
150.03140	1.5
158.06133	1.2
159.02943	2.0
161.04561	10.6
165.05585	1.6
173.09280	0.9
186.69194	1.0
203.05592	1.1
207.08704	1.1
249.07205	1.0
249.09756	17.6
266.47101	0.9
267.10809	28.2
268.11111	1.9
273.33710	1.0
273.95990	1.0
309.11874	15.6
310.12283	1.1
369.13925	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01378	0.3
61.98825	0.4
63.02392	1.0
65.00323	3.9
68.99808	0.4
70.87042	0.3
70.87360	0.5
80.02671	2.0
83.01392	2.3
93.03438	0.6
95.01356	0.6
99.68907	0.3
101.11151	0.3
107.01389	7.2
107.05106	0.4
108.02177	8.8
109.02930	0.9
109.06630	0.3
117.40007	0.3
121.02955	1.0
122.03777	0.4
123.00887	0.8
124.01634	1.6
125.02444	3.7
133.02945	0.9
133.06577	1.3
134.03706	1.0
135.00870	0.7
136.01660	13.4
137.02466	4.4
147.04524	0.4
147.08127	0.4
148.01640	0.8
149.02449	4.8
149.06044	1.0
150.03172	1.3
151.00363	14.2
151.01585	0.7
151.07645	0.5
152.01077	1.2
158.93509	0.3
161.02425	2.5
161.09721	0.7
162.03203	1.9
162.06871	0.5
163.00377	0.9
163.03951	0.3
163.07628	0.4
164.01147	13.4
165.01952	2.5
166.02681	0.4
173.06120	0.5
175.03996	0.5
175.53345	0.3
176.01218	0.5
177.01910	5.8
177.05531	0.5
177.09174	0.8
178.02589	0.6
188.46489	0.3
189.01845	0.4
189.05655	0.5
189.09172	0.3
190.02702	2.2
191.03200	0.4
191.07108	0.9
196.00111	8.5
202.09973	2.6
203.10703	1.2
205.08676	3.1
212.04832	0.3
217.05219	0.6
217.12340	0.3
217.75755	0.3
219.06580	0.8
222.01697	0.6
225.05649	0.3
226.10037	0.5
228.07790	0.4
231.06633	0.4
233.08167	77.2
234.08499	6.7
241.08595	0.3
241.12360	0.4
242.09496	1.2
245.08104	0.4
253.08780	0.4
255.10245	0.4
267.07339	0.4
267.10236	2.8
268.10928	0.9
269.08206	2.6
270.72983	0.3
283.09799	0.8
284.10468	0.3
285.04010	0.4
285.11224	0.3
292.10870	0.4
293.04471	0.3
299.05539	0.6
308.10574	0.7
309.11325	1.3
310.12146	1.4
311.05719	0.7
325.14496	0.7
353.10379	1.2
354.11060	5.3
355.11462	0.7
369.13397	100.0
370.13730	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	369.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03438	1.1
59.01380	9.3
61.98825	1.6
65.14585	0.6
68.99815	27.7
71.01375	9.5
71.92636	0.7
72.99288	0.6
73.02937	9.2
83.01367	2.1
85.02947	4.8
85.06615	0.7
87.04507	0.8
89.02448	1.3
95.01395	0.7
96.96011	1.3
97.02937	0.9
99.00873	100.0
100.01202	1.9
101.02431	7.4
105.07165	0.7
107.20831	0.8
113.02424	4.7
115.05417	0.8
117.01952	1.6
119.04979	0.6
121.06462	0.7
126.86036	0.6
133.06566	1.0
137.09686	0.7
143.03535	1.0
147.04535	0.9
159.02956	1.1
161.04546	7.0
164.08441	0.9
166.05095	2.6
173.04604	0.6
177.12791	0.8
197.06575	0.7
237.05261	1.5
237.07654	28.5
238.07996	2.7
269.10287	9.7
270.10690	1.1
281.04376	0.7
297.03970	0.7
309.03873	1.0
324.06351	0.8
339.08600	1.4
354.11060	1.4
369.06085	1.8
369.22830	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.6
59.01357	2.7
61.98829	1.6
63.02405	8.5
65.00317	14.1
75.66879	1.0
83.01381	11.5
83.52939	1.0
99.92570	1.3
107.01383	24.7
108.02171	4.3
121.02943	1.2
124.01611	1.4
125.02438	11.0
136.01692	5.8
140.40692	1.3
147.04521	1.5
147.84303	1.0
151.00356	44.8
151.01587	2.3
154.05705	1.2
164.01140	4.0
165.01859	3.2
167.40640	1.0
169.01364	2.9
176.08455	2.5
177.01927	3.5
191.10750	1.3
196.00150	5.4
202.09984	21.9
203.10384	2.9
206.30893	1.2
217.10358	1.4
217.12337	20.1
218.12566	1.6
233.08148	1.4
242.70213	1.2
354.10892	2.0
369.13394	100.0
370.13687	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	369.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.8
59.32416	1.9
61.98820	5.5
71.58792	3.5
79.13303	2.2
85.02982	2.0
86.21957	1.8
95.01392	1.9
96.96014	3.6
102.76820	2.0
120.11954	2.1
120.77304	1.7
121.02950	2.6
122.03754	2.0
123.04482	1.9
125.02472	2.2
125.65799	2.0
132.04524	1.8
135.04538	5.3
136.01733	2.1
137.02428	4.1
138.03204	3.6
139.04015	4.8
147.04527	3.2
148.01651	7.4
157.76407	2.1
161.02414	4.0
163.04037	6.1
173.06091	2.8
174.06700	2.7
198.06911	2.2
199.07706	2.4
200.04779	12.8
209.60794	2.1
211.07733	3.4
213.05583	2.9
214.00822	1.9
215.06985	2.4
225.05525	4.3
239.07121	4.7
240.07872	5.0
241.05087	6.8
241.13519	1.8
253.05150	2.2
255.06720	3.6
256.07086	2.3
258.64487	2.0
267.06711	6.1
267.15924	2.3
269.04538	5.5
281.04688	2.3
283.05997	10.8
284.06879	87.9
285.07254	8.3
287.22351	6.7
293.04819	2.1
299.09219	100.0
300.09500	11.0
311.09344	2.0
321.07925	2.5
336.10046	9.7
351.12323	19.2
352.12708	3.8
353.10239	2.1
354.11017	5.1
369.09888	3.4
369.13428	85.4
369.17194	4.4
370.13699	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	369.1187
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
59.01380	5.2
61.98819	3.6
68.60108	1.0
68.99825	1.2
70.11613	2.9
71.01366	5.6
72.99301	1.5
73.02946	1.1
83.01368	3.3
85.02950	3.1
87.00870	9.5
87.04512	4.9
89.02432	1.0
99.00871	1.6
105.19440	0.9
113.02437	2.2
113.99575	14.8
115.00368	10.5
115.03970	3.4
118.15704	0.9
133.02931	3.7
158.79601	1.0
160.88866	0.9
161.02386	1.0
163.00389	1.2
174.01680	89.6
175.02388	4.8
175.03786	1.1
248.98116	0.9
253.10767	4.1
281.10248	2.6
285.03967	1.6
297.04031	5.6
298.04630	4.1
309.09750	11.8
325.03436	1.8
341.06671	3.5
369.06186	16.7
369.11813	100.0
370.07037	1.3
370.12137	11.3
386.32892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
56.03463	1.2
59.01376	100.0
60.01708	1.3
67.59266	1.2
69.03442	1.3
69.59255	8.5
71.01380	29.6
72.99308	2.3
73.02943	39.9
73.23013	1.3
83.01376	10.4
85.02946	4.6
85.34701	1.2
87.00885	1.8
89.02443	11.7
94.64545	1.2
95.01360	1.9
98.20623	2.2
101.02437	36.0
110.54414	1.4
113.02451	12.7
119.03498	2.1
125.02435	2.1
131.03490	2.3
137.09711	2.9
143.03477	2.9
147.04536	2.2
151.11325	3.3
161.04562	8.6
369.06241	6.6
369.14282	1.5
369.19156	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	369.0977
Annotation	Glycyrrhiza flavonol A
Peak:m/z	Relative Intensity
53.36142	0.4
59.01377	2.7
61.98812	0.8
71.01371	1.1
71.56055	0.9
79.95731	0.6
80.96507	18.1
85.02921	0.6
86.92957	0.5
89.02422	0.5
93.03461	0.7
93.42727	0.5
96.15918	0.5
99.08824	0.5
109.02927	0.9
117.03448	9.7
118.03754	0.5
118.94546	0.5
121.03001	0.5
127.05109	1.2
131.01367	2.7
132.02159	1.2
133.02982	1.2
135.00922	0.5
135.04485	0.6
149.02403	0.9
161.02390	0.5
163.00360	0.9
163.04013	0.7
165.12811	1.8
173.02423	1.7
175.00365	4.9
177.01909	0.7
181.06512	0.7
186.02296	5.4
189.99010	0.7
190.02647	1.2
193.06577	1.0
196.05315	0.6
197.06018	0.6
200.01129	2.6
208.05264	0.6
209.06093	1.2
211.03941	0.8
212.04729	0.7
213.05536	1.0
215.03529	1.2
220.05061	0.6
221.06049	1.6
223.04048	0.6
236.04781	1.4
237.05464	3.4
238.06326	0.6
239.03468	1.9
240.04254	0.7
241.05193	0.5
249.05537	1.8
251.03470	2.0
252.04021	0.5
253.05014	1.4
258.05316	0.6
264.04221	1.8
265.04956	2.9
267.03009	1.5
267.06723	0.5
268.03738	12.6
269.04288	1.5
271.07703	5.6
275.05679	0.7
281.04520	1.8
282.05402	5.8
283.06128	5.4
292.03796	2.9
293.04517	45.7
294.04861	4.2
310.04785	1.7
311.05569	13.7
311.09161	0.9
312.06134	1.0
333.07742	4.1
337.17783	0.9
351.08667	9.0
352.09091	1.0
369.09738	100.0
370.10074	11.1
370.14609	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	369.0977
Annotation	Chaetoxanthone A
Peak:m/z	Relative Intensity
55.01876	0.5
59.01386	0.5
61.98833	0.4
66.55598	0.3
69.49603	1.1
69.50025	1.7
77.03939	0.5
79.01898	2.0
91.91634	0.3
93.15114	0.3
97.02946	6.8
105.03455	0.5
107.01378	0.8
107.05002	0.8
108.02193	2.7
109.02982	1.8
121.02939	1.9
123.00897	0.4
123.04540	2.9
125.06137	0.4
133.02960	4.9
135.00862	1.3
135.04549	0.4
136.01666	4.6
137.02444	0.5
145.02933	0.5
147.00874	0.9
148.01668	1.2
149.02428	4.1
149.06061	0.8
151.03978	0.7
155.05005	0.4
157.02901	0.4
157.06534	0.7
161.02489	0.8
163.00356	3.4
164.01152	2.7
165.01965	0.8
172.05316	0.6
173.06064	0.7
174.03183	0.5
175.03984	4.2
177.01945	1.1
183.08278	0.4
185.06093	1.5
187.07613	1.2
189.01947	0.7
189.05656	1.7
191.07101	1.0
198.03127	0.5
199.03978	4.0
199.07603	1.2
201.01961	2.1
203.07101	0.6
209.06049	0.6
211.04054	0.7
211.07579	1.3
212.04730	0.9
213.05547	4.3
214.06027	0.6
216.04266	0.6
217.05055	0.6
225.05551	1.0
226.06400	3.0
227.03568	0.9
227.07079	3.5
229.04979	0.5
231.06602	18.6
232.06918	1.5
240.04469	0.7
241.04956	0.6
244.03737	0.6
253.05116	1.3
254.05797	0.7
255.06526	2.9
256.03885	0.6
256.06815	0.5
269.04404	1.8
270.05319	1.4
271.06091	0.9
283.09760	0.6
297.04022	5.9
298.04782	9.3
299.05585	25.6
300.05994	2.3
330.03848	3.9
351.08728	5.1
352.09003	0.5
369.09753	100.0
370.10095	12.0
370.20050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.5
71.56330	3.4
84.04546	25.4
87.69767	1.7
99.61244	1.8
120.01262	10.2
153.00198	3.3
160.09015	2.2
162.02287	100.0
163.02658	2.9
165.94189	2.2
179.01680	5.5
180.02481	2.6
195.04808	7.6
205.19730	2.0
222.92650	1.9
238.89395	1.9
243.49980	1.9
253.54012	2.1
281.19238	1.8
282.49146	2.6
288.13162	1.9
297.03912	3.4
369.05978	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	367.2637
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
54.67006	0.9
59.01358	1.3
71.55653	1.0
74.78730	1.0
82.41986	0.8
133.06573	8.4
136.34741	0.8
149.09709	83.8
150.10052	5.8
205.15959	48.2
205.17947	1.5
206.16270	4.4
295.16989	3.7
328.16763	1.4
367.26392	100.0
368.26791	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	367.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
61.98799	1.2
71.47076	0.8
121.58941	0.9
133.06601	1.2
149.09715	72.3
150.10039	4.3
205.15962	75.6
206.16296	7.2
277.43387	0.8
319.41476	0.8
367.26407	100.0
368.26733	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	367.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40290	2.7
58.06217	2.9
59.01383	14.9
59.60297	2.7
61.98532	5.3
61.98827	77.2
65.94492	2.8
70.07405	12.9
75.00858	3.4
75.66169	2.9
97.02943	8.0
112.23038	2.9
121.02954	6.0
145.53467	3.2
146.17783	3.0
146.44681	2.9
149.88533	2.8
161.24709	2.8
171.10349	3.9
208.00684	2.9
259.15414	2.9
291.19717	15.9
307.10077	3.7
309.20651	9.8
367.16516	100.0
368.16840	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23196	0.6
59.01375	100.0
59.23901	0.6
60.01705	1.9
61.98828	12.3
71.01381	2.3
73.02951	1.3
75.00898	0.7
75.73805	0.7
85.02975	1.7
88.40183	0.6
99.00916	1.2
101.02451	3.8
107.01009	0.6
113.02502	1.1
119.05055	2.0
145.02866	0.6
161.04544	1.9
163.04047	1.7
191.05592	1.0
307.10492	0.8
307.17581	11.9
308.18015	0.9
331.20859	1.0
389.39786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1652
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01371	8.3
61.98833	16.2
69.17865	12.6
74.24181	1.3
96.95976	1.7
104.64946	1.3
106.67196	1.2
107.01353	1.4
111.08153	6.7
123.39050	1.4
125.02431	1.9
151.00400	2.3
169.12253	1.9
197.10001	1.9
197.11821	33.2
198.12161	2.3
211.13272	2.0
219.10123	1.8
233.11575	2.9
255.06564	2.1
269.08005	10.5
291.19543	4.3
293.21088	2.7
309.20667	16.1
310.21136	1.9
321.05890	1.4
351.29608	1.4
367.11862	9.4
367.16464	100.0
368.16751	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	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18609	0.4
53.57860	0.4
59.01377	100.0
60.01716	1.2
60.34327	0.4
61.98836	2.3
62.78037	0.4
66.74940	0.4
69.83018	0.7
69.83332	2.6
71.01379	3.8
73.02964	1.5
85.02956	1.7
89.51976	0.4
89.67732	0.4
90.27785	0.4
96.16303	0.5
96.96054	0.6
98.20562	0.7
99.00854	0.7
100.76917	0.5
101.02419	3.5
103.02985	0.4
113.02468	2.0
119.05028	3.4
119.16846	0.5
161.04538	2.7
163.03964	2.1
191.05553	0.5
235.11983	0.6
247.11986	1.2
256.93430	0.4
265.12930	9.6
265.15640	0.9
266.13306	0.9
278.07120	0.5
283.20941	0.5
307.14041	4.3
326.60382	0.4
349.11136	0.6
367.10968	0.6
391.30997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1651
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
53.55423	1.8
59.01369	5.7
59.38539	1.8
61.98817	3.1
67.47042	1.8
69.32185	1.9
70.59799	4.0
70.60172	4.1
79.83082	1.8
94.55488	2.0
97.02940	7.1
165.12833	3.2
171.10284	6.3
197.11850	2.7
229.14519	2.7
231.06679	2.4
291.19653	14.2
293.21304	3.0
309.20786	19.0
310.20911	3.1
313.18011	2.2
321.78912	2.0
331.18610	2.0
367.16498	100.0
368.16922	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	367.1652
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01377	14.2
61.98842	4.1
70.66240	7.1
78.17934	2.0
78.32037	2.2
98.19987	2.7
111.08154	8.9
131.01407	2.9
163.00342	10.1
169.12361	2.9
175.00349	5.3
184.02205	2.2
197.11781	24.8
211.13380	4.8
219.09988	4.8
233.11592	5.1
241.08464	2.7
255.06372	3.1
269.07938	12.1
274.10287	2.2
284.03082	4.5
291.19638	6.0
297.04044	11.0
307.10278	2.8
309.04001	10.6
309.20682	23.8
310.20825	2.5
316.80133	2.7
318.21579	2.4
344.05338	2.9
367.11792	54.7
367.16464	100.0
368.12076	6.2
368.16824	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	367.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
60.32847	0.4
70.68513	1.0
102.44166	0.5
121.02945	0.7
121.09161	0.4
147.04546	2.0
148.05296	100.0
149.05641	4.6
153.03549	0.4
163.07639	70.9
164.07962	3.6
166.39455	0.4
232.70923	0.4
315.54617	0.4
320.29211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	1.6
61.98832	4.6
70.04266	1.9
71.01373	4.0
72.99305	1.3
73.02957	1.9
83.01385	0.8
85.02959	1.9
89.02438	0.7
89.72011	0.5
96.96046	1.1
98.19921	0.6
99.00871	1.2
101.02448	3.7
108.02170	0.5
113.02428	2.5
117.05573	0.6
119.05015	7.9
120.05363	0.5
122.02545	0.7
122.06170	0.5
127.84453	0.5
134.03755	1.6
150.52408	0.5
161.04597	2.5
163.03986	6.4
164.04466	0.7
191.05721	0.6
193.05106	1.7
247.11937	1.3
265.12906	8.3
293.78860	0.5
307.14038	3.1
326.32898	0.5
353.49289	0.5
367.10907	1.5
367.15881	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	367.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.2
71.56477	1.5
72.99277	1.9
82.46022	1.0
110.00090	30.0
111.00445	1.2
122.62275	1.0
123.00851	1.8
136.98822	1.1
137.99586	12.8
141.99045	1.5
153.25839	1.1
165.99071	39.0
166.99313	1.4
178.99883	1.4
211.13513	2.1
242.05945	1.6
246.05228	1.9
270.05316	51.0
271.05649	4.0
285.07675	100.0
286.07968	11.6
293.21161	1.5
313.17822	4.5
367.07324	2.4
367.16476	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	366.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72061	0.3
52.39203	0.3
52.85106	0.3
54.02785	0.3
56.57022	0.4
59.01377	15.0
61.98829	100.0
67.43161	0.4
68.63635	0.4
70.45512	1.2
71.01407	1.1
73.02957	0.5
85.02909	0.4
89.02440	0.5
96.96014	0.6
98.20661	0.5
99.04549	0.4
101.02431	0.7
119.05045	0.6
167.96265	0.5
265.13025	0.8
315.32297	0.4
325.77774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
61.98829	100.0
69.85928	1.3
72.63894	0.3
72.99308	0.5
78.80964	0.2
89.02439	0.6
115.62228	0.3
117.01986	0.7
119.99384	0.4
142.99889	1.0
173.00899	0.5
174.01764	0.6
211.06241	0.4
225.07607	0.6
245.09415	0.3
366.20074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1553
Annotation	Isatidine
Peak:m/z	Relative Intensity
59.01371	3.8
61.98825	9.6
68.99823	1.5
69.45892	5.6
71.01389	1.3
85.02982	0.7
96.99318	1.1
98.19926	1.2
105.80476	0.7
107.06374	0.6
113.02503	0.9
113.99538	1.0
116.05062	1.0
118.02994	1.3
134.09663	0.8
146.06273	0.7
162.12828	0.8
163.02734	1.6
164.14424	2.3
177.04292	12.7
178.04517	0.7
190.02733	2.1
190.12427	2.0
192.02939	0.8
204.13904	2.6
205.05022	2.2
208.13435	5.1
209.03304	4.7
222.14952	1.1
232.13422	1.1
234.14972	1.4
262.14417	0.7
288.12402	17.4
289.12671	2.1
299.05597	1.2
306.13440	100.0
307.13745	9.6
318.13443	2.1
330.13385	0.9
348.14389	2.1
366.15518	98.2
367.15909	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	366.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.3
61.98829	100.0
69.85928	1.3
72.63894	0.3
72.99308	0.5
78.80964	0.2
89.02439	0.6
115.62228	0.3
117.01986	0.7
119.99384	0.4
142.99889	1.0
173.00899	0.5
174.01764	0.6
211.06241	0.4
225.07607	0.6
245.09415	0.3
366.20074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98549	0.4
55.91124	0.4
59.01377	3.1
59.04498	0.4
61.98827	100.0
66.54426	0.4
69.85113	1.4
69.85529	1.0
71.01375	0.8
72.99307	0.9
85.02899	0.4
97.06596	0.4
109.91339	0.5
112.98853	0.9
117.99255	0.4
120.39021	0.4
131.04637	0.6
137.59113	0.4
142.99837	1.1
161.43752	0.4
163.04086	0.4
173.00964	0.6
174.01764	1.6
337.39224	0.4
355.10931	0.5
366.15668	1.8
367.13770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54102	4.5
55.58919	3.8
59.01379	20.3
71.03741	8.4
74.01715	3.0
78.91888	4.0
92.16411	3.2
121.10261	22.8
171.10242	47.0
186.93980	7.8
211.13239	3.8
223.13467	3.7
231.21198	5.2
275.17343	7.5
275.20166	97.2
276.20520	11.6
292.30255	4.9
293.21216	100.0
294.21616	12.1
349.80051	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	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01379	11.2
59.16305	0.8
59.69465	0.9
61.98827	1.7
64.57415	0.9
71.01372	0.9
71.58392	1.7
75.14774	0.8
86.47832	0.9
89.02440	1.4
97.06590	1.2
121.10233	9.7
123.08140	0.9
125.09706	6.5
141.12833	1.4
147.08145	1.3
166.62683	0.9
185.11801	11.3
191.52919	0.9
193.15979	0.9
197.11740	2.7
201.02524	2.5
209.11812	1.3
211.13295	1.8
220.13951	0.9
247.20695	1.5
249.81810	0.9
267.07434	1.5
273.18570	2.2
287.76932	0.9
291.19635	100.0
292.19989	10.6
347.25885	1.6
365.15161	1.3
365.23172	4.4
366.23557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.4
59.01372	6.2
61.98818	0.9
69.51194	0.7
69.51506	4.9
83.05034	1.2
96.95972	0.7
97.06624	1.0
98.20628	0.9
111.08163	6.0
121.10225	5.4
123.08150	0.9
125.09689	2.7
134.74919	0.7
153.73106	0.6
167.10756	2.2
177.12799	1.0
179.10832	1.2
185.10330	0.9
185.11807	5.6
189.54465	0.7
190.75917	0.6
195.13875	3.3
197.11865	1.5
201.02464	1.4
223.13202	0.9
247.20607	1.9
267.07510	1.0
273.18588	2.3
291.19638	100.0
292.19986	9.6
365.23453	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	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
51.63813	0.3
58.99472	0.3
59.01366	0.8
59.82696	0.4
70.43282	1.1
83.05072	0.3
85.06586	2.9
98.28976	0.3
101.24054	0.3
116.49596	0.4
157.80057	0.3
165.12807	0.6
176.69624	0.4
199.13402	3.4
211.58838	0.3
251.20192	0.5
261.18481	0.5
279.19626	17.6
280.19962	1.7
347.25977	5.9
363.25482	0.9
365.26938	100.0
366.27271	13.9
366.31979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81197	0.9
55.01871	2.0
57.03459	0.9
59.01377	61.3
60.01703	1.0
61.98827	3.1
71.01376	12.5
71.57829	1.6
72.99287	1.3
73.02940	4.1
83.01391	2.7
83.48289	0.9
85.02945	7.0
89.02450	4.7
95.01398	1.5
99.00851	2.0
101.02439	10.4
101.82541	1.0
113.02456	6.3
139.82527	0.9
155.10806	1.6
157.12332	2.0
161.04512	4.4
171.10251	3.2
203.12881	6.9
217.10779	8.9
217.14400	1.1
238.73866	0.9
305.16043	3.8
321.10382	0.9
337.07419	1.1
347.17245	1.2
365.06528	3.4
365.14374	4.0
365.18140	100.0
366.18469	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	365.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35024	0.6
59.01377	100.0
60.01713	1.0
69.96125	3.0
71.01382	11.7
73.02949	3.3
83.01400	0.9
85.02959	3.2
87.00883	0.9
87.12031	0.6
89.02441	1.2
98.24924	0.6
99.00895	1.5
101.02448	5.9
111.55781	0.6
113.02478	3.2
120.08495	0.6
143.03549	0.7
147.06609	1.2
152.54823	0.6
159.02979	1.5
161.04559	5.6
173.08005	0.6
263.11426	1.0
305.16022	8.0
306.16513	1.0
365.06717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
59.01379	100.0
59.05220	0.4
60.01713	1.4
61.98837	0.5
68.63087	0.4
70.57620	1.4
71.01381	18.3
73.02947	2.0
83.01381	1.3
85.02958	2.7
89.02443	8.4
95.01395	0.7
97.02965	0.4
99.00897	1.4
101.02435	6.4
113.02468	4.6
119.03500	3.0
127.10973	0.5
129.05571	0.6
143.03532	1.2
143.10783	0.8
147.06645	3.0
161.04523	5.1
173.08231	0.7
179.05632	1.6
189.07431	0.4
201.07785	0.9
245.10313	0.9
263.11404	2.7
305.12955	0.6
305.16116	2.1
365.17886	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	365.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66307	0.3
59.01375	100.0
60.01712	1.2
64.99823	0.4
66.47815	0.4
66.96107	0.4
69.65283	2.1
71.01379	5.9
73.02956	0.5
85.02973	1.0
89.02443	9.5
95.01424	0.4
101.02435	3.7
113.02441	2.7
119.03494	3.3
131.03528	0.5
143.03554	0.7
149.04570	0.5
161.04567	1.5
179.05606	3.2
180.06386	0.4
305.16043	0.8
365.14023	0.5
365.18292	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81197	0.9
55.01871	2.0
57.03459	0.9
59.01377	61.3
60.01703	1.0
61.98827	3.1
71.01376	12.5
71.57829	1.6
72.99287	1.3
73.02940	4.1
83.01391	2.7
83.48289	0.9
85.02945	7.0
89.02450	4.7
95.01398	1.5
99.00851	2.0
101.02439	10.4
101.82541	1.0
113.02456	6.3
139.82527	0.9
155.10806	1.6
157.12332	2.0
161.04512	4.4
171.10251	3.2
203.12881	6.9
217.10779	8.9
217.14400	1.1
238.73866	0.9
305.16043	3.8
321.10382	0.9
337.07419	1.1
347.17245	1.2
365.06528	3.4
365.14374	4.0
365.18140	100.0
366.18469	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	365.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21374	3.4
59.01377	100.0
61.98832	86.3
62.00107	3.2
62.60398	2.6
64.77682	3.2
68.06973	3.0
71.01369	16.9
71.58188	5.3
72.99275	3.2
73.02956	11.6
73.68145	2.9
85.02948	5.9
85.06907	2.7
89.02435	9.6
101.02455	15.8
113.02441	11.2
138.35332	3.1
161.04617	5.3
236.98441	3.6
263.71271	3.5
323.17133	9.3
365.10263	5.8
365.14996	15.6
383.93329	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29439	0.5
58.00584	0.6
59.01379	100.0
60.01716	1.1
61.98837	1.1
64.86056	0.5
65.96614	0.5
70.56462	1.7
71.01382	10.4
72.99342	0.8
78.21818	0.5
79.46089	0.5
81.71116	0.5
84.08569	0.5
85.02942	2.4
87.00890	0.6
89.02446	18.2
90.02888	0.6
95.01416	0.7
96.96017	0.9
101.02441	5.0
103.67603	0.5
108.02208	1.7
113.02457	5.2
116.05093	1.4
119.03502	7.5
123.04541	3.6
131.03474	0.6
143.03529	1.9
149.04619	1.3
151.20633	0.5
151.80566	0.5
152.01219	1.9
160.04073	1.5
160.23212	0.5
161.04559	2.1
167.03513	7.4
178.05153	0.6
179.05588	5.7
199.10635	0.5
203.08334	1.4
285.12537	0.6
329.01581	0.6
329.08691	1.2
358.00174	0.5
365.13669	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	364.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.58714	3.3
84.34019	0.5
98.19911	1.1
111.56702	0.5
183.13861	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98827	100.0
62.57088	0.4
62.98519	0.4
69.86613	1.4
69.87022	0.9
77.34314	0.4
82.03032	0.6
98.20632	0.6
183.13898	1.2
233.32347	0.4
239.03552	0.6
251.33446	0.5
301.16599	1.0
364.18277	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	364.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01689	1.2
61.98826	1.5
62.64385	0.7
71.01382	1.2
73.02917	0.9
85.02928	1.0
96.96026	1.3
98.19887	3.3
101.02456	1.2
122.41714	0.7
143.35811	0.8
158.03745	1.9
159.04457	1.2
202.02727	15.0
365.08887	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	364.161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01689	1.2
61.98826	1.5
62.64385	0.7
71.01382	1.2
73.02917	0.9
85.02928	1.0
96.96026	1.3
98.19887	3.3
101.02456	1.2
122.41714	0.7
143.35811	0.8
158.03745	1.9
159.04457	1.2
202.02727	15.0
365.08887	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	365.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01701	1.5
61.98824	11.7
70.72399	2.8
71.01379	14.4
73.02921	4.5
83.01357	1.9
83.05003	2.8
85.02934	5.9
87.00877	1.9
89.02442	7.5
90.14854	1.1
95.01375	1.3
99.00861	2.6
101.02446	10.2
113.02428	5.7
119.03464	3.3
146.09248	1.1
161.04466	3.0
172.38455	1.1
179.05478	1.9
185.11705	1.3
197.37865	1.1
203.12744	2.0
236.88585	1.0
305.15869	1.9
347.17099	5.4
365.06250	1.1
365.13583	2.0
365.18176	38.4
366.11511	1.6
366.18475	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	364.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61802	0.5
56.07090	0.4
57.92115	0.4
59.01377	5.7
61.59384	0.5
61.98806	1.7
70.45703	1.1
70.46034	0.6
71.01337	1.2
71.83472	0.5
73.20914	0.4
75.00866	0.7
79.95731	20.7
80.96510	6.0
89.02417	0.9
101.02394	0.6
105.01885	0.6
113.02404	0.8
116.05054	15.4
117.05418	0.6
117.66467	0.5
118.06603	0.8
123.04510	1.9
135.04485	0.5
135.72597	0.5
160.04010	2.3
161.04617	1.4
167.03490	0.5
224.07239	0.5
226.08763	0.8
228.89905	0.5
236.07161	0.7
237.07979	1.2
240.10234	0.8
250.08649	2.0
251.09303	0.6
252.10284	13.9
253.10619	2.0
254.08289	0.9
254.11821	1.9
268.09750	16.9
269.10501	2.3
284.12885	66.9
285.13208	8.6
305.12476	0.8
364.08563	100.0
365.08902	11.9
365.13870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.1
61.98829	100.0
64.62046	0.6
71.01390	2.1
71.24168	1.2
73.02954	0.8
78.95915	0.6
83.01403	0.5
85.02946	1.1
87.00896	0.9
89.02464	2.5
94.22842	0.5
96.96015	5.0
96.96922	2.8
101.02454	1.3
113.02491	1.4
116.05064	0.9
119.03532	1.4
123.04536	3.7
161.04607	0.7
164.07074	0.8
166.05128	1.1
167.03534	1.6
173.04596	0.6
179.05727	0.6
284.12946	1.7
329.08823	2.2
364.08746	3.5
365.14420	1.4
365.18356	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1812
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
59.01365	1.8
61.98828	5.5
65.98248	0.4
66.13457	0.5
67.86267	0.4
70.26121	2.0
79.46741	0.4
119.93747	0.4
136.40099	0.5
137.09709	1.7
165.05537	1.0
165.09181	0.6
181.20770	0.5
241.15961	33.2
242.16241	3.7
255.17545	3.5
257.19089	14.4
258.19403	1.5
275.20181	3.6
278.13089	0.4
283.17032	3.1
301.18079	45.2
302.18448	6.1
310.52106	0.5
319.19077	4.5
345.17014	11.8
346.17389	1.5
363.18094	100.0
364.18433	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	363.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.8
61.98816	7.4
70.72640	2.1
70.72971	3.9
71.01374	10.1
77.63944	1.7
82.81660	1.6
83.01353	1.9
85.02956	1.9
96.95988	10.5
123.08126	2.4
132.61548	1.7
151.47754	2.0
171.10226	2.9
177.12892	2.7
185.11746	12.5
197.11693	5.5
209.11786	6.3
221.11757	7.9
239.12755	4.0
291.19565	5.6
295.05109	2.3
310.55164	1.9
327.21729	100.0
328.22211	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	363.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94149	0.6
53.79693	0.6
59.01376	100.0
60.01717	0.9
61.98835	2.4
63.02366	0.7
69.66132	3.3
71.01386	1.1
73.73576	0.7
89.02406	0.7
91.04023	1.0
95.47108	0.7
96.96018	0.8
97.44499	0.6
101.02431	0.7
106.12848	0.7
113.02415	1.0
117.03551	1.1
130.28862	0.7
133.02969	1.7
161.02467	1.8
163.00330	0.7
170.45792	0.8
175.04021	1.0
185.11887	2.1
199.03894	0.8
211.13374	6.8
212.13802	2.1
229.14423	42.7
230.14864	2.9
269.04575	3.7
281.04495	4.8
285.04016	7.4
295.06201	1.2
297.04050	3.4
299.05469	0.8
303.18259	2.8
304.04834	0.8
311.05643	0.9
323.05807	2.1
327.05313	2.2
357.05704	0.9
363.20166	2.0
364.07144	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01376	100.0
60.01720	1.4
61.20465	1.5
61.98830	10.6
69.18525	16.1
71.01383	9.9
72.71759	1.6
72.99300	2.3
73.02950	4.2
75.29272	1.9
83.01407	1.9
83.04992	1.6
85.02953	4.5
87.00867	2.1
89.02462	5.4
89.89919	1.5
99.00900	2.1
101.02460	5.4
101.06086	3.1
103.40776	1.4
111.00909	1.9
112.98775	7.2
113.02438	4.0
113.99586	3.1
115.00363	4.6
117.01878	2.7
117.44642	1.4
119.03593	1.5
119.05024	34.2
119.05790	1.4
120.05357	1.7
123.08162	2.1
126.81060	1.7
129.92294	1.5
137.06073	2.3
139.07660	3.8
147.04486	10.7
153.05540	8.2
159.10114	1.9
161.04524	3.4
163.03990	42.3
164.04335	2.5
165.05510	2.6
167.07132	12.8
173.00945	9.6
174.01683	79.9
175.02444	9.0
183.06570	1.7
211.06091	10.8
241.05080	2.9
245.08255	1.4
256.07492	2.7
271.08188	17.3
301.11951	1.4
315.08957	1.6
325.09265	4.5
363.11710	2.7
363.16641	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	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.20435	0.5
57.03436	1.3
59.01379	20.1
61.98822	1.2
63.15453	0.6
69.07947	0.6
69.77636	3.2
71.01379	13.5
72.99306	12.5
73.02953	4.5
83.01392	3.0
84.02180	0.7
84.84326	0.5
85.02940	5.6
85.93639	0.5
86.00100	0.8
86.22189	0.5
87.00873	1.2
87.46037	0.5
89.02442	8.8
95.01384	1.2
99.00869	1.5
101.02441	11.5
108.04537	0.6
111.00897	0.9
113.02438	5.6
119.03498	1.9
123.03268	1.6
136.07703	2.9
136.39418	0.5
138.05609	5.2
140.07178	3.0
141.07533	2.3
143.03435	0.6
155.10747	0.8
161.04596	0.8
165.09236	1.0
182.08192	1.5
183.08537	1.4
183.10257	5.0
201.09709	0.6
201.11351	3.6
215.09151	0.6
227.08235	2.2
239.08908	0.6
242.10551	2.1
257.12900	12.5
258.13263	1.1
286.31223	0.6
315.08890	0.9
345.11035	1.4
345.15167	0.8
363.16580	100.0
364.12570	1.1
364.16956	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	362.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
59.94499	0.5
61.98827	100.0
69.75637	3.6
71.01404	0.7
74.29568	0.6
77.25605	0.6
93.03456	12.4
94.03810	0.7
101.02421	0.8
112.97577	0.5
119.05005	0.9
121.34539	0.5
137.02435	35.3
138.02782	1.1
163.03983	1.3
190.07637	0.6
233.29248	0.6
290.13681	0.6
299.07733	4.7
300.07819	0.9
342.65363	0.6
387.51376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.6
61.98826	100.0
67.10517	0.6
69.03518	0.7
71.01395	1.1
71.25832	0.8
72.38225	0.6
89.02460	0.8
93.03466	2.3
105.11163	0.5
113.02467	1.2
119.03457	0.7
119.05003	5.2
120.05347	1.0
125.02267	0.6
137.02449	7.7
163.03975	4.7
164.04344	1.8
174.01791	0.9
299.07782	1.5
322.42517	0.8
363.16583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63753	0.3
59.01378	17.6
62.93507	0.3
66.52044	0.3
69.92930	1.5
73.55970	0.3
102.12698	0.3
185.10735	0.3
254.66176	0.3
261.22137	0.4
274.97815	0.3
279.23267	100.0
280.23608	11.4
325.27847	0.3
361.15970	2.7
361.23575	24.8
362.15262	0.4
362.23941	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	361.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70313	0.9
51.84577	0.9
59.01378	100.0
61.98840	1.2
70.04122	2.6
86.68368	1.0
88.03356	0.9
88.03898	1.0
109.14172	1.0
140.84798	1.0
301.16501	1.1
322.95645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
61.98828	100.0
70.88181	1.2
71.01405	1.1
85.02923	0.7
93.03455	10.6
96.95284	0.5
98.20589	0.7
98.29002	0.5
101.02466	0.7
119.05020	2.9
120.05354	0.6
126.04983	0.5
137.02437	30.6
138.02768	1.2
143.35852	0.5
163.03993	3.4
164.04366	1.2
262.70526	0.5
299.07684	5.3
363.11554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41800	1.0
50.68290	1.0
59.01375	39.7
61.98827	12.9
62.91787	1.4
69.46165	1.1
69.89783	5.0
71.01373	13.1
73.02946	3.1
85.02953	5.7
87.00861	1.5
89.02433	2.8
95.01379	4.0
99.00869	1.4
101.02442	8.5
108.02189	1.5
113.02440	6.1
121.02947	2.6
122.03754	1.5
123.00880	100.0
123.04457	1.7
124.01707	11.1
125.02401	1.2
137.02441	6.9
138.03220	79.1
139.04030	23.7
143.03511	1.3
149.02435	1.5
151.03949	3.6
159.02960	3.6
161.04550	24.6
166.02643	2.4
175.93346	1.3
178.02742	2.0
181.05031	7.1
186.34279	1.1
193.04984	3.4
301.09277	42.7
302.09595	2.1
343.12390	1.2
358.76239	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	361.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02190	1.3
59.01362	4.3
67.22269	1.0
71.01378	3.0
71.10812	1.4
71.11156	1.8
73.02941	1.1
75.00881	1.0
85.09509	1.0
88.64996	1.0
101.02425	2.3
110.06107	5.5
113.02412	1.5
116.05041	1.7
118.06602	1.4
122.06133	14.6
132.04552	2.1
135.03192	1.0
138.05560	1.2
144.04570	4.2
145.05328	13.0
146.06104	5.6
148.04025	3.4
152.03464	2.5
159.03242	4.1
160.04028	56.1
161.04808	29.5
162.05467	2.5
175.02661	2.1
176.03548	8.4
177.04305	8.9
188.03532	4.6
189.04298	68.7
190.04868	6.2
192.02988	3.2
193.03790	16.0
194.04117	1.1
195.58046	1.0
203.05731	1.3
221.03314	17.9
221.06877	17.6
222.03432	1.3
222.07253	1.4
224.10793	1.2
231.11324	2.9
243.11360	4.6
253.05908	5.4
255.11357	16.9
256.11694	1.9
267.11386	28.8
268.11700	1.7
283.10880	2.9
285.12402	5.4
299.10339	14.0
300.10526	1.5
311.10342	38.6
312.10602	3.4
313.11758	1.4
329.11380	16.9
330.11670	1.4
331.12943	20.2
332.13171	3.8
343.12952	100.0
344.13281	13.4
361.14053	31.5
362.14267	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	361.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58083	1.1
59.01371	7.8
66.31922	0.9
71.01365	3.1
71.56036	1.4
85.02985	1.3
87.84401	1.0
89.02452	1.2
91.62339	1.0
95.05057	1.2
96.95981	2.3
99.00883	1.3
101.02422	2.6
107.03770	1.3
110.06107	4.1
113.02386	1.3
116.05103	1.2
120.04584	1.4
121.05335	1.5
122.06105	15.1
131.03748	1.5
132.04538	2.7
144.04544	5.1
145.05321	14.0
146.06122	8.6
148.04005	3.2
159.03203	4.5
160.04025	51.1
161.04810	21.7
162.05457	3.3
164.03488	2.0
175.02881	1.3
176.03493	10.7
177.04326	9.9
188.03485	4.3
189.04300	66.0
190.04803	5.5
192.03012	3.1
193.03777	17.5
203.05849	1.4
220.02304	1.1
220.06033	1.7
221.03310	15.6
221.06847	20.3
222.07274	2.1
231.11395	4.0
243.11354	4.2
253.05977	6.7
255.11331	14.5
256.11633	1.2
258.11282	1.3
267.11353	29.7
268.11731	2.4
283.10764	2.5
285.12399	4.1
299.10312	12.3
300.10696	1.9
311.10352	40.8
312.10654	4.7
313.10898	1.6
329.11411	17.6
330.11658	3.2
331.12979	24.3
332.13528	2.6
343.12943	100.0
344.13229	11.8
361.14041	29.7
361.22223	1.4
362.14197	4.5
362.19565	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	360.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.8
60.28566	0.3
71.01379	1.1
71.58507	0.4
73.02931	0.8
85.02945	0.5
89.02444	0.3
94.46104	0.4
101.02455	1.0
109.00009	0.3
111.11781	0.4
113.02458	0.6
122.93502	0.3
123.03254	5.8
126.45371	0.3
138.05603	100.0
139.05945	4.2
141.25940	0.3
152.07169	0.7
160.04018	0.5
161.04645	1.1
180.06693	0.3
189.04308	1.1
255.11523	0.4
267.11359	0.5
282.09781	2.2
285.04099	0.5
300.10864	1.7
311.10449	0.6
319.13898	0.4
342.11981	0.3
343.09271	0.3
343.13010	1.2
360.06888	0.6
361.14716	1.3
367.80106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
69.30417	2.1
71.01389	0.6
81.03426	0.3
85.02937	0.5
100.31867	0.2
101.02416	0.4
109.02929	0.4
113.02470	0.4
121.02965	0.5
122.03738	0.4
123.03272	5.7
138.05605	100.0
139.05969	4.0
140.17705	0.2
152.07138	0.6
161.04564	0.6
165.05553	0.8
167.03526	0.6
168.03865	0.5
179.07153	0.4
192.06668	0.3
200.38203	0.3
282.09744	1.9
300.10901	2.1
317.15274	0.2
361.16501	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	361.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87027	0.9
56.78082	0.9
59.01377	32.8
59.83615	0.9
61.98817	1.2
67.90966	1.0
69.84792	4.8
71.01373	2.0
89.02440	1.8
94.95968	0.9
101.02413	1.1
119.05024	77.4
120.05338	3.2
125.61893	0.8
140.07167	22.8
161.04672	1.0
163.04004	100.0
164.04341	5.1
181.08719	0.8
205.49136	1.0
290.94843	1.0
302.12366	1.2
313.60080	0.8
325.09241	10.2
334.64273	0.9
345.40839	0.9
361.10431	1.1
361.14990	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	359.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.4
70.29678	0.9
70.30056	0.8
219.64265	0.5
246.01738	0.6
277.21695	100.0
278.22067	10.2
280.95447	0.5
314.43820	0.6
359.22009	24.1
359.88672	0.6
360.22147	2.6
363.36603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24584	0.2
57.03449	1.9
59.01377	1.8
59.74036	0.2
61.98786	0.2
66.10876	0.2
69.03458	0.3
71.01385	0.5
71.56603	0.2
71.56980	0.3
75.00865	4.4
83.81963	0.2
85.06599	0.4
89.02448	0.5
119.03500	0.4
119.05048	0.3
120.01246	1.3
158.26169	0.2
165.12854	0.6
183.13902	3.0
184.14288	0.2
199.44998	0.2
209.11914	0.3
217.00256	0.7
227.12814	1.4
227.16441	1.4
245.30316	0.3
249.11021	0.3
271.22784	0.6
299.11240	0.4
301.07059	0.4
311.25775	1.4
313.23798	7.0
314.24149	0.7
325.23868	0.2
339.25247	0.3
341.26813	2.4
359.27982	100.0
360.28329	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	359.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01369	5.5
61.98825	11.3
71.01380	2.7
73.02946	1.6
89.02439	4.0
89.40530	0.6
102.15946	0.6
111.08142	1.3
119.03481	0.8
119.05029	0.8
131.03510	1.2
149.04532	15.5
153.36258	0.5
165.12833	24.5
166.13136	1.3
182.87460	0.7
183.13884	100.0
184.14211	7.3
198.50836	0.8
209.11823	2.4
217.00221	1.4
227.12862	85.3
228.13176	5.7
241.09932	0.8
249.11064	1.5
297.03732	0.8
301.16510	2.0
359.12399	3.2
359.17020	13.1
359.20834	1.3
359.27945	10.7
360.17493	1.6
360.28403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
58.00598	4.3
59.01380	15.4
69.22542	13.9
71.01385	3.2
72.99300	1.4
73.02959	1.3
85.02959	4.4
87.00879	13.4
89.02464	1.6
101.46372	1.3
107.45014	1.3
109.06549	2.1
111.00885	2.1
112.01683	1.5
113.02461	1.6
132.10136	1.3
147.02960	5.3
148.47522	1.3
155.10738	1.9
165.12837	3.8
169.55348	1.2
174.58833	1.2
179.14398	2.3
183.13921	7.5
185.15359	1.5
189.12775	1.9
195.13884	3.5
205.12320	2.4
211.13379	88.3
212.13669	5.6
213.14964	36.2
214.15416	2.2
217.12251	1.8
223.13379	11.0
233.11816	2.1
235.13429	5.5
239.12807	1.7
241.14438	100.0
242.14699	7.2
245.11670	2.4
251.12865	39.1
252.13251	3.6
253.14384	11.2
259.13358	10.0
260.13446	1.7
263.12790	3.2
265.14426	3.0
269.13861	3.3
277.14417	14.5
278.14865	1.9
281.14108	1.8
284.03156	2.1
285.03973	11.1
287.13196	1.9
291.05789	1.7
293.13934	2.5
295.15240	1.7
305.13901	9.7
313.16522	1.7
323.14865	3.3
359.07001	1.5
359.14841	1.4
359.17166	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1245
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
57.03435	1.5
59.01378	10.3
61.98817	2.7
67.58833	0.8
70.96638	1.4
70.96964	1.3
71.01369	4.3
72.00908	8.5
72.99294	1.5
73.02966	1.2
73.39741	0.9
75.00855	1.6
83.62206	0.9
85.02944	6.4
87.00867	1.2
89.02444	3.2
93.03457	1.7
94.89320	0.9
96.96021	1.8
101.02430	2.8
113.02431	1.2
119.03478	2.0
119.04959	1.6
123.00878	1.6
134.03700	3.1
137.02443	1.9
138.03198	2.6
140.01160	2.3
147.03026	1.1
149.06123	5.7
151.03970	2.5
153.01901	1.3
153.05550	2.7
155.03508	1.5
164.76132	1.0
165.03979	3.3
166.99825	1.0
179.03482	3.8
180.06621	1.5
181.06589	1.5
182.02194	1.8
182.84729	1.1
191.01941	2.2
193.06580	7.2
194.07013	1.2
197.04524	5.8
207.08069	4.4
209.06119	3.1
211.05980	2.3
211.07794	1.6
219.08116	12.1
223.07582	5.2
224.08435	7.3
225.09157	6.9
234.09201	2.5
235.07590	1.5
237.05614	2.0
237.09180	23.1
238.09538	1.8
240.10332	2.0
241.11020	1.6
252.10242	6.3
253.08731	1.7
254.08318	2.4
254.11807	8.0
255.12148	1.1
256.07343	6.5
263.07153	6.5
268.07382	2.2
268.09906	2.0
271.08588	1.8
273.10083	2.0
280.09772	7.6
281.08176	10.3
282.08453	1.6
285.06427	1.8
285.09949	2.1
296.09277	2.3
297.07529	1.6
298.10800	8.8
299.11288	2.0
300.06458	2.5
313.11835	7.2
315.13562	2.2
317.09021	3.4
324.08716	5.4
341.11392	36.2
342.09860	2.9
342.11615	2.8
359.12457	100.0
360.12799	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71639	1.6
59.01379	47.1
59.24130	1.9
59.51925	1.9
60.01704	2.0
61.01815	2.5
61.98827	100.0
70.33112	6.3
71.01374	4.7
75.00867	2.4
80.05044	2.0
81.03478	2.0
85.02937	2.1
89.02444	3.0
91.59007	1.9
96.96007	2.1
99.04502	3.1
101.02457	2.8
113.02420	3.1
132.04552	7.3
138.05569	3.3
152.07114	3.4
167.03496	9.6
169.14839	1.9
175.03984	2.4
175.07489	1.9
184.30586	2.0
227.82184	1.7
231.82346	1.7
285.04129	2.3
297.12466	2.4
298.14722	2.0
315.13229	3.7
316.15533	3.4
343.11011	2.0
359.06631	5.5
359.14566	3.9
359.20715	2.4
360.18216	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	359.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12622	0.6
51.36803	0.7
53.74595	0.7
59.01374	91.0
60.01702	0.7
61.98828	1.0
62.45951	0.6
65.38835	0.6
69.60367	4.3
72.99327	1.4
75.65949	0.6
78.95903	1.7
89.38859	0.8
90.97127	1.3
91.82369	0.7
118.96658	1.1
132.98181	1.7
133.35399	0.6
156.99911	1.3
157.03539	2.0
159.01518	1.0
162.00800	0.7
174.99240	22.5
198.90511	1.7
201.00659	1.2
201.02538	24.7
202.02669	2.2
217.00275	100.0
218.00598	4.5
240.91599	1.3
256.87714	6.2
271.86218	1.2
272.90735	1.1
274.88672	6.4
274.99655	1.2
289.87485	1.8
298.88773	5.0
298.95715	0.9
299.88919	1.0
316.89758	11.3
316.97247	0.8
317.00357	3.3
317.90002	2.2
358.97711	3.9
359.01544	9.5
360.01779	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.098
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.15051	0.6
54.79507	0.6
57.03433	0.7
59.01366	5.2
61.98800	0.7
70.87922	1.1
70.88264	1.4
71.01373	2.9
77.94697	0.7
83.75127	0.7
85.02966	1.1
87.00877	1.0
89.02441	2.4
95.01392	2.4
99.04500	1.4
99.33334	0.7
100.03794	0.7
101.02453	1.6
107.05025	2.5
113.02402	1.5
115.04036	0.8
119.03455	1.1
119.05030	1.0
123.00876	39.1
123.04517	0.9
125.02507	0.8
137.02460	3.3
138.03221	48.6
139.03560	1.5
140.01147	2.4
151.03989	2.5
153.05566	18.5
154.05878	1.6
155.03476	1.8
161.04559	1.1
161.08179	8.8
165.01897	2.2
166.99835	9.8
168.00337	1.1
182.02196	37.5
183.02577	1.1
197.04530	100.0
198.04935	5.2
239.05678	1.0
267.14670	0.6
299.11310	1.4
301.05511	1.1
325.47626	0.6
329.64935	0.8
359.09821	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33150	20.7
58.73946	24.6
59.01380	100.0
61.98830	27.7
70.83361	52.1
70.83701	35.1
81.78828	24.1
85.06161	20.1
89.02451	35.1
133.67445	21.9
210.78848	19.6
242.24495	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	358.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.5
60.43020	2.8
67.01881	4.5
70.02959	2.5
71.01371	10.1
71.11846	4.9
72.00907	4.0
74.02467	100.0
75.00853	9.8
75.02807	2.2
82.02981	2.7
82.06599	5.2
83.01359	2.4
85.02942	3.2
89.02425	4.8
98.02467	97.5
98.19881	2.7
99.00892	3.1
100.00356	3.6
101.02432	4.5
109.02922	2.6
112.02778	2.4
112.04070	3.4
112.07638	3.7
113.02402	2.4
114.01997	4.3
116.03505	3.5
118.05090	12.4
125.03554	6.9
130.08739	2.4
135.02988	2.4
135.59854	2.2
139.07607	2.6
139.08734	5.3
140.07166	5.3
141.10297	3.6
143.04543	2.5
166.08780	3.9
168.10205	13.3
169.09822	7.6
179.11880	2.6
184.09743	2.5
194.08211	17.3
207.11380	21.0
212.09258	4.5
225.12425	11.0
257.11337	9.6
269.08655	4.9
269.11407	73.1
270.11835	4.3
298.09509	7.1
313.14056	24.7
314.13632	27.4
315.13718	2.7
316.11057	7.0
317.11282	2.8
328.12018	3.6
343.14343	5.8
358.12555	3.3
358.16187	68.2
359.16293	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	358.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59959	1.1
52.33487	1.1
59.01377	54.1
60.01702	5.7
61.98820	7.0
67.01875	3.4
67.07973	1.1
70.02991	2.0
71.01380	27.7
71.55993	1.5
72.00896	3.4
72.01714	4.9
72.03378	1.2
72.04530	1.5
72.99274	2.1
73.02941	24.8
74.02470	100.0
74.03270	5.2
75.02783	1.4
82.02962	2.5
82.06618	2.5
83.01363	7.7
84.01724	1.7
85.02937	4.8
87.15098	1.3
89.02444	9.1
90.02785	1.9
92.05064	4.2
93.03414	1.5
95.01353	2.1
96.04585	1.5
96.95985	1.1
98.02471	74.5
99.00853	3.5
99.02805	1.4
100.00386	3.5
101.02435	18.2
102.02764	4.3
109.02928	3.9
111.03274	1.4
112.02855	1.5
112.04025	2.7
112.07685	1.6
113.02437	8.0
114.02769	3.3
116.03523	2.8
118.05086	13.0
119.03484	5.4
123.04516	31.7
123.07983	1.3
124.04843	25.8
125.02427	1.5
125.03544	4.5
135.04520	26.1
136.03986	11.7
136.04851	19.9
138.09294	1.6
139.08736	5.5
140.07129	5.2
140.10773	2.1
141.10315	3.5
143.03473	1.9
143.04604	3.3
150.09238	3.4
152.07121	2.2
153.01906	1.4
153.05576	39.7
154.05908	36.2
161.04553	3.2
164.10843	2.7
166.08699	3.0
167.11867	1.7
168.10266	9.8
169.09715	6.5
181.09790	2.1
185.09198	1.5
189.10260	1.8
194.08203	20.0
195.06516	1.4
196.07034	3.2
199.37534	1.4
207.11357	14.8
212.09315	3.7
225.12465	7.6
257.11429	7.4
269.11392	60.0
270.11664	5.0
297.09598	3.2
298.10092	14.9
299.10687	1.8
313.14044	22.9
314.13538	28.1
315.10696	4.9
315.13953	2.8
316.11142	35.4
317.11243	5.6
337.35178	1.2
358.12064	22.2
358.16150	55.3
359.12793	2.9
359.16608	4.4
376.50394	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	357.2643
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
59.01361	3.6
59.84056	0.8
69.81213	3.9
83.01364	2.6
93.07088	3.7
104.99315	0.9
109.02915	1.2
113.91580	1.0
121.02946	6.8
122.03765	0.9
130.64365	1.0
135.04634	1.0
136.01674	2.1
137.06055	1.0
170.76114	0.8
178.56963	0.8
192.95822	3.6
216.36511	0.9
219.92097	0.8
227.16534	15.5
228.16870	1.2
241.17838	0.8
274.12241	1.0
297.04285	1.4
297.24295	2.9
327.25339	14.6
328.25830	1.6
339.25394	1.8
357.06140	8.4
357.13568	3.5
357.26428	100.0
358.06323	1.2
358.26846	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	357.2639
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03430	0.6
57.93270	0.2
59.01375	3.3
59.46280	0.2
61.07490	0.2
71.01372	0.5
71.07468	0.2
71.56802	0.4
83.01378	0.6
83.05049	0.5
93.03431	0.4
93.07087	3.4
97.02958	0.2
97.06582	0.5
99.99535	0.2
101.02448	0.5
107.01341	0.4
111.08140	0.5
121.02956	1.6
123.08132	0.3
124.01598	0.3
125.02488	0.4
135.04611	0.3
136.01677	0.3
137.02475	0.4
142.55620	0.2
149.02417	0.3
149.99554	1.2
151.00360	0.4
163.00317	0.3
165.01964	0.4
165.12871	0.3
177.01929	0.3
178.02470	0.3
181.06564	0.5
193.01451	0.5
216.04286	0.4
221.94904	0.3
225.05563	0.8
227.16508	15.3
228.16798	1.5
257.69730	0.3
284.03125	0.3
285.07617	0.4
293.14111	0.4
293.21240	0.4
297.24301	2.1
298.04816	0.4
299.05493	1.1
309.24213	0.5
311.25906	0.3
313.07214	0.4
314.07901	0.7
321.24377	0.4
327.25366	14.8
328.25769	1.9
339.25296	1.9
357.06000	0.6
357.09753	4.6
357.26422	100.0
358.10184	0.6
358.22266	0.6
358.26761	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	357.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16308	0.5
57.21285	0.6
59.01376	100.0
60.01720	1.4
62.68727	0.8
69.70104	4.0
71.01374	5.9
72.01707	0.6
73.02943	5.2
83.01398	2.6
85.02968	0.7
87.28836	0.8
89.02440	3.4
101.02438	5.2
113.02480	2.7
119.03522	1.0
121.02951	17.9
123.04517	0.6
136.01619	0.6
151.04095	0.7
167.70572	0.7
181.06567	1.2
215.01054	0.7
225.05739	1.4
239.16302	0.6
297.04254	0.7
313.07214	1.2
323.95923	0.7
357.06158	10.9
357.13339	1.5
357.26376	0.8
358.06790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01721	1.4
71.56062	1.8
72.39464	0.9
79.89061	1.0
82.77282	0.9
83.01395	3.3
96.96001	1.2
100.04576	1.0
121.02953	15.0
125.41702	1.0
133.02921	1.8
136.01639	1.2
147.03293	1.6
161.04802	3.8
175.03874	1.3
176.07130	3.1
192.95824	1.9
223.13362	7.5
285.04181	1.4
297.03940	2.8
297.16922	1.8
357.06235	12.6
357.13342	5.1
357.26343	2.8
358.06509	1.9
358.16699	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62820	0.5
59.01376	100.0
60.01706	1.2
60.85431	0.5
63.86901	0.5
69.03496	0.6
69.54445	2.2
69.54855	1.3
71.01379	6.5
73.02953	1.8
83.01376	3.2
85.02940	3.7
86.59122	0.7
89.02454	0.8
95.01388	0.7
101.02431	3.3
113.02444	2.3
113.03171	0.7
121.02934	0.7
129.02007	0.7
129.86143	0.6
136.70781	0.6
143.03568	0.6
161.04561	3.5
227.16525	0.6
298.04776	1.0
315.18277	1.5
327.25180	0.8
357.06165	3.8
357.13303	3.3
357.26559	5.2
358.17441	0.7
358.26984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
50.90174	1.0
53.77779	1.0
58.00585	1.4
59.01378	40.5
70.56398	2.7
71.01382	21.1
72.99314	1.3
75.52978	1.0
83.01391	1.3
85.02946	3.4
87.00871	1.1
89.02443	19.0
101.02451	13.3
109.02944	5.7
113.02437	7.9
115.28007	0.9
119.03492	9.0
123.04500	3.3
134.03746	2.0
135.04530	2.5
135.53577	0.9
136.05281	1.6
153.01915	2.7
153.05582	5.9
161.02469	1.5
162.03229	61.1
163.03673	3.4
177.05566	100.0
178.02676	1.2
178.05917	6.1
179.03377	1.1
179.05585	1.2
180.04198	1.8
193.04837	1.1
195.06651	18.3
196.06889	1.4
196.65807	1.1
251.23824	1.0
357.11914	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
56.17617	1.3
57.03433	1.7
57.80391	1.2
59.01378	39.9
61.98830	2.6
65.02686	1.0
71.01381	22.9
71.55718	1.5
72.99275	1.3
73.02942	14.6
74.02460	3.9
83.01386	4.8
85.02931	8.3
87.00857	1.5
89.02428	7.9
95.01360	2.7
98.02465	2.5
101.02445	14.7
108.04555	20.7
109.02935	3.2
109.04880	12.6
113.02446	9.2
119.03484	3.0
121.02960	5.4
122.03687	1.2
123.04520	66.5
124.04877	3.3
125.02466	1.2
125.05876	1.1
134.03717	1.3
135.04527	28.6
137.02414	1.7
142.70441	1.2
143.03564	1.5
150.05611	16.6
151.03995	4.3
151.05965	11.0
152.04726	3.4
153.05568	100.0
154.05890	4.8
161.04520	3.0
162.03241	1.2
182.32985	1.2
195.05130	1.2
195.06625	9.4
269.11432	4.2
297.06396	1.9
297.09775	37.0
298.10217	4.7
315.10843	28.2
316.11154	1.9
338.91574	1.3
357.08173	1.9
357.11841	17.1
358.12085	2.1
358.16113	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	356.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	70.0
59.68775	25.5
61.98811	100.0
71.10923	70.6
83.01373	62.2
121.02956	86.1
123.89965	28.9
136.22781	32.1
144.11418	30.2
190.05136	50.8
192.95790	42.6
197.48354	29.6
224.65483	33.2
274.42966	32.4
291.34418	28.7
319.74454	32.1
341.13202	33.3
351.36884	32.8
356.15051	43.9
357.06067	85.3
357.13474	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0614
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01370	2.7
68.14545	0.2
70.86712	0.6
77.03960	0.5
83.01410	0.5
93.03458	0.6
93.81842	0.3
121.02946	100.0
122.03255	3.3
154.80235	0.2
161.85458	0.3
165.01938	1.0
167.01115	0.3
180.05792	1.8
181.06552	7.2
218.31783	0.3
225.05556	5.9
226.05875	0.7
227.16501	0.9
271.07272	0.5
313.07147	7.7
314.07480	1.0
327.25473	1.1
349.19974	0.3
357.06116	39.9
357.26376	7.7
358.06436	4.3
358.26697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36588	0.4
50.69004	0.4
54.49476	0.4
55.73013	0.5
57.03452	1.2
59.01382	1.8
61.75916	0.5
61.98828	100.0
63.28820	0.4
70.72405	1.1
70.72739	0.7
77.84285	0.4
83.01395	1.6
102.05619	0.5
121.02963	1.0
125.02439	6.8
126.02747	3.1
145.30325	0.5
152.01707	0.5
161.04843	0.5
175.03658	0.6
186.53177	0.5
190.05272	0.8
192.95924	0.9
195.48767	0.4
201.38385	0.5
204.44609	0.5
221.15570	0.7
229.08687	1.6
230.08932	2.8
234.51740	0.5
247.26065	0.5
356.12210	1.8
357.06073	1.6
357.13388	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56853	0.4
57.03444	0.5
59.01376	10.9
71.01383	1.2
71.69752	0.4
83.01383	0.8
85.02942	0.7
86.02492	0.4
88.49101	0.4
93.03465	1.0
100.56352	0.5
102.81862	0.4
106.34792	0.4
110.79723	0.5
111.08183	0.9
118.06600	0.8
121.02956	13.5
133.02904	1.2
135.04466	0.7
161.04811	54.8
162.05434	4.7
165.12831	11.0
166.13164	0.5
171.10194	0.8
174.57739	0.4
176.07152	11.8
177.07405	0.4
179.03430	0.6
181.12462	0.5
183.13849	0.7
184.75371	0.4
190.05083	100.0
191.05405	6.1
208.17076	10.1
209.11739	0.7
209.17392	0.8
227.12856	1.1
252.16043	10.3
253.16452	0.9
260.57407	0.4
269.08163	0.6
296.14969	0.5
297.03961	0.8
341.08627	0.6
341.12671	11.6
342.13025	2.1
356.14999	50.1
357.06274	2.7
357.15405	6.7
357.22568	0.9
357.26419	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	356.171
Annotation	3'-Acetylindicine N-oxide
Peak:m/z	Relative Intensity
59.01381	6.3
68.29394	1.1
69.51917	6.7
70.61461	1.2
71.01396	1.4
83.01377	1.4
84.04556	3.7
85.02931	1.8
88.33609	1.0
98.19893	2.1
100.07671	3.7
102.05605	56.0
111.08130	1.5
128.03537	94.8
129.03949	2.3
146.04573	11.6
165.12834	14.0
166.13185	1.4
166.49252	1.0
183.13887	38.4
184.14215	2.8
200.10593	1.0
209.11835	1.5
222.14912	1.4
222.18724	2.1
227.12862	32.5
228.13214	2.6
250.18098	4.2
261.08609	1.2
266.13416	1.1
268.19189	1.7
273.12323	1.1
278.51114	1.1
294.17386	1.9
297.04108	2.2
298.04755	3.1
312.18103	1.3
313.07126	2.0
320.15009	1.4
338.16122	9.7
356.17111	100.0
357.06097	4.7
357.13623	2.0
357.17493	11.6
370.10638	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	356.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66858	0.4
58.00566	0.4
59.01378	100.0
60.01720	1.4
69.65561	2.9
70.25803	0.5
71.01377	4.0
77.31752	0.5
82.06283	0.5
85.02968	1.0
89.02441	6.1
101.02464	1.9
106.06628	4.4
113.02424	2.3
119.03529	1.9
150.05618	2.3
161.04613	1.3
179.05695	0.8
180.98074	0.4
194.04626	1.0
288.94946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.0
61.98818	2.7
66.04762	0.4
69.66306	2.2
71.01378	2.1
73.02934	2.0
81.70618	0.4
83.01382	0.8
85.02945	1.1
87.08732	0.4
89.02456	0.9
93.03496	0.4
98.20660	0.7
101.02416	1.7
107.03770	0.5
108.04547	100.0
109.02979	0.4
109.04874	3.4
113.02448	1.5
121.02934	1.0
123.04520	7.8
132.04581	0.5
135.04552	3.1
150.05592	89.6
151.04039	0.6
151.05949	5.1
152.04738	0.5
153.01936	0.6
153.05560	11.4
174.01701	0.9
175.02203	0.4
178.29170	0.4
194.05396	0.7
195.06584	1.4
235.08444	0.4
251.50587	0.4
293.12695	0.5
297.09665	3.5
315.10959	3.1
356.10611	4.2
357.07953	0.5
357.11981	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.51917	0.5
60.01723	1.1
60.35408	0.4
67.18092	0.4
69.22150	5.0
71.01376	4.8
73.02938	0.5
78.10238	0.5
83.01351	0.5
85.02979	0.8
89.02451	5.6
101.02450	2.3
113.02457	1.5
115.71421	0.4
119.03481	2.3
120.62703	0.4
132.67444	0.5
133.02885	0.4
161.04622	0.5
216.59473	0.4
285.04034	0.9
297.04065	2.3
298.04898	1.6
299.05682	0.6
311.05698	0.9
339.05121	0.6
357.06058	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	356.0983
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01381	2.2
61.75451	0.3
64.23594	0.2
70.22857	0.6
70.23227	0.9
71.01375	1.5
72.27972	0.3
75.11424	0.3
80.05127	0.3
83.01389	0.4
85.02927	0.9
85.16422	0.2
95.01359	0.3
100.76788	0.3
101.02427	0.4
106.06620	100.0
107.06950	4.2
108.08186	5.1
113.02447	1.4
118.06568	0.7
120.08163	0.8
128.14801	0.3
130.06633	0.6
131.03775	1.5
132.04572	0.3
133.02959	0.4
134.06154	0.4
136.07634	0.4
136.62560	0.3
146.06120	0.7
150.05597	56.5
151.03957	0.8
151.05965	2.4
152.04315	0.7
161.04758	0.4
162.05513	0.4
164.07161	10.2
165.07491	0.5
174.05585	0.8
192.06647	7.2
193.07028	0.5
194.04567	29.7
195.04871	1.8
197.13028	0.4
204.52332	0.3
208.07056	0.4
236.05623	5.0
266.06781	0.3
296.07761	4.2
297.04068	0.4
297.08142	0.7
305.75485	0.3
356.09872	10.9
357.06094	1.1
357.10220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1873
Annotation	Thiocyanatin A
Peak:m/z	Relative Intensity
54.71562	0.7
57.03422	0.9
58.02975	5.8
59.01382	3.8
60.24577	0.7
71.01385	1.5
71.57977	0.7
72.04564	0.8
74.02467	1.3
82.02970	1.9
83.06152	2.9
84.04552	4.7
85.02934	0.9
89.02528	0.7
97.04057	0.8
97.06542	0.8
98.02428	0.7
101.07206	6.4
107.02489	1.2
109.04063	6.9
109.79901	0.8
111.08139	0.9
120.01257	0.9
125.03545	1.9
125.07222	1.2
127.05132	49.4
128.03532	21.1
128.05481	1.6
133.02939	1.9
135.04530	1.3
137.43542	0.7
140.26512	0.6
145.06184	44.5
146.06477	1.6
162.02290	2.1
165.11566	1.1
165.12834	11.3
182.15479	8.3
183.13908	1.0
208.17006	1.1
209.11789	2.8
210.14995	1.5
231.18797	0.7
235.02435	2.0
237.07727	1.2
249.19682	16.6
250.20103	1.5
262.93112	0.6
267.20862	0.9
293.18616	4.2
311.19876	3.4
319.16400	0.9
331.13846	0.7
337.17697	19.1
338.17999	2.2
355.18716	100.0
356.19028	11.8
365.02322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2275
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01376	3.2
61.98822	1.0
70.81051	2.5
72.79445	1.0
73.09821	0.9
85.02958	1.2
101.06051	1.5
109.02973	2.3
111.00864	1.6
122.03728	9.7
127.07648	2.6
135.04515	24.0
136.01613	1.5
136.04810	1.4
147.08180	1.8
149.06111	1.8
149.09680	9.1
151.07640	3.0
154.02748	2.3
155.10767	1.0
161.09717	9.5
162.10030	1.1
163.07608	3.3
163.11276	59.4
164.08412	16.6
164.11589	2.3
165.09207	8.1
174.07462	1.0
177.09193	72.6
178.09950	21.0
179.10762	75.7
180.11140	6.1
183.10280	1.2
187.11258	1.6
191.10756	11.3
192.97249	0.9
193.08667	9.3
265.12201	1.3
279.13892	1.5
280.14755	5.1
281.33954	1.0
298.15707	55.1
299.16086	5.9
307.17126	2.0
309.21967	1.2
313.21704	1.5
321.18472	1.8
337.21704	57.3
338.22003	8.6
340.20383	97.8
341.20734	12.7
355.22748	100.0
356.23120	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	355.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46375	0.3
59.01377	0.6
59.28830	0.3
61.98814	0.4
63.02391	2.6
65.00319	12.8
69.50713	1.7
69.51113	0.5
77.86112	0.3
83.01379	5.1
107.01387	18.3
107.79517	0.4
121.03856	0.3
122.03700	0.4
125.02446	3.7
125.56817	0.3
134.03690	0.4
148.05293	20.1
148.79294	0.4
149.05627	1.2
150.03229	1.1
151.00356	100.0
152.00706	5.1
158.87384	0.3
162.03223	4.8
165.01849	0.6
169.01373	1.0
177.01961	0.4
177.09187	0.7
180.04268	3.7
188.08435	0.8
203.10757	72.3
204.11063	5.6
205.08664	0.5
229.08717	0.6
302.82999	0.4
332.93091	0.4
355.11819	17.6
355.15213	0.6
355.25180	0.5
356.11975	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43782	0.3
57.03448	15.2
58.03770	0.4
58.15049	0.3
59.01379	1.6
61.98837	1.1
65.00350	0.4
69.17767	0.3
71.16156	0.5
78.57618	0.3
81.03454	2.3
83.01384	8.7
83.30745	0.4
84.01724	0.3
101.02459	0.4
121.02945	0.7
125.02443	100.0
126.02766	3.3
136.01613	1.0
145.02969	0.5
146.03711	1.4
149.02487	0.4
165.01935	0.8
174.03201	4.7
175.03906	1.3
177.01921	1.4
177.09125	0.3
189.09236	0.4
201.09187	0.7
206.02214	2.7
227.53841	0.3
229.08681	41.0
230.09210	5.6
235.02414	0.7
245.11888	0.4
355.11841	22.1
355.15616	0.8
355.24637	0.5
356.12302	3.4
367.64716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	15.7
59.01369	1.5
61.98827	9.2
71.01388	0.5
71.51389	1.0
78.95885	0.6
81.03453	2.4
83.01385	8.8
107.01340	0.6
111.46186	0.5
125.02440	100.0
126.02798	3.6
146.03709	1.4
149.00096	0.6
161.04884	0.6
165.01942	1.2
174.03194	4.6
175.03844	0.7
177.01903	1.5
177.09152	1.0
193.08525	0.7
206.02126	3.1
229.08675	44.1
230.09239	5.4
238.50156	0.5
279.23825	0.5
355.07297	1.0
355.11884	22.1
355.16022	1.5
355.24738	1.0
356.12155	2.4
361.12766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83115	0.6
59.01377	100.0
60.01740	1.5
61.98826	1.1
69.35399	1.6
69.35825	3.8
71.01379	9.8
73.02950	10.7
75.31091	0.6
83.01403	2.3
83.59496	0.6
85.02969	1.4
89.02452	3.5
95.01405	0.7
101.02441	7.2
113.02478	3.7
119.03504	0.8
131.03549	0.7
143.03496	0.8
161.04514	1.4
235.02547	1.7
237.61255	0.6
355.04471	1.3
372.41263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40964	1.0
59.01371	3.2
69.21716	8.6
69.22063	1.4
71.01373	1.2
72.99305	1.0
73.02928	3.0
75.00870	2.1
77.75778	0.9
83.01382	2.5
85.02946	3.8
87.00877	2.5
101.02443	1.1
113.99564	2.0
115.00375	5.9
134.03737	1.9
144.69264	0.9
149.06084	1.2
163.07686	1.1
174.01675	62.5
175.02437	4.5
178.02663	1.6
179.07077	2.5
193.05119	4.4
209.08168	2.3
233.08434	0.9
237.07642	2.4
265.07126	6.9
295.08167	10.9
355.10300	100.0
356.10666	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	355.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
71.01365	1.4
71.03597	1.1
76.12639	0.4
85.02951	0.5
89.02436	1.2
102.78214	0.4
121.02969	1.5
132.02122	2.9
133.02904	1.7
134.03738	51.6
135.04062	2.5
137.02440	6.6
139.03987	1.8
149.06067	17.0
150.03299	1.0
151.03967	0.5
160.01654	15.2
161.01968	0.6
174.01692	1.4
175.03986	23.4
176.04332	1.3
178.02698	27.7
179.03018	1.5
191.07201	0.8
193.05035	100.0
193.35767	0.5
194.05386	5.3
217.05000	0.8
218.07619	0.5
235.06041	1.2
295.08292	1.1
355.10266	5.1
356.10471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2118
Annotation	Guayulin B
Peak:m/z	Relative Intensity
50.32162	0.2
57.21460	0.2
61.98802	0.3
63.40902	0.2
70.53798	0.2
70.59060	0.7
79.95722	0.6
94.26512	0.2
96.96006	3.7
104.45471	0.3
146.31586	0.2
147.08192	0.4
161.06020	0.4
163.11276	92.1
164.11617	5.8
177.09195	72.9
178.09534	4.5
182.52800	0.2
211.84090	0.2
222.08939	0.7
254.43832	0.3
264.61771	0.2
269.20331	0.3
353.21170	100.0
354.21524	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	355.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86189	1.2
59.01381	1.9
70.01828	2.8
70.02225	3.1
71.01384	3.9
73.02949	5.0
73.72527	1.2
87.00866	4.8
89.02443	28.2
95.60084	1.2
98.19980	1.8
98.66676	1.4
102.59203	1.5
103.04013	1.9
106.99628	1.3
131.03500	5.4
149.04546	100.0
150.04828	3.2
163.06117	1.5
194.55495	1.2
294.12842	1.3
340.74496	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	355.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	1.2
59.01375	100.0
59.77136	1.0
60.32504	1.0
70.25181	1.2
71.01389	10.4
71.56464	1.2
73.02930	3.3
73.18257	1.0
80.56698	1.1
85.02946	4.7
88.28777	1.0
89.02430	5.2
96.96024	2.0
101.02450	7.6
102.90160	1.1
107.05019	1.1
109.02955	2.8
113.02428	4.2
119.03533	2.4
119.05034	1.4
121.02927	4.4
147.04427	1.8
149.02423	28.7
149.04417	1.5
151.03996	27.2
161.04517	4.3
163.03972	1.4
164.04773	18.8
166.11029	1.1
176.39888	1.0
179.07091	2.1
193.01418	2.6
193.05037	1.5
205.01234	1.2
223.06082	32.0
224.06342	1.5
235.02466	6.3
255.68257	1.4
259.00055	1.2
269.10266	6.7
355.10934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18946	15.8
59.01369	100.0
60.95922	14.9
61.98814	47.7
71.05020	18.1
71.57780	22.0
71.58179	17.1
78.95904	83.2
85.37501	15.6
127.26124	15.5
163.28790	14.5
257.46292	16.6
348.79233	15.5
352.91971	18.4
353.10028	28.0
353.13535	80.9
353.23221	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	353.1862
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
59.01376	15.5
61.98837	3.1
69.48335	5.3
69.48751	10.8
73.70660	2.3
79.95748	3.4
88.14857	2.1
92.11456	2.2
114.94765	2.2
118.21875	2.2
191.05615	4.1
195.13852	9.3
225.01730	2.5
237.75247	2.2
257.39636	2.1
272.13364	2.0
277.21683	8.1
295.22748	40.8
296.23056	3.2
317.21027	2.8
339.69424	2.7
353.14026	9.0
353.18521	100.0
354.18991	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	353.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01718	1.2
61.98813	1.3
70.66272	1.4
71.01375	3.1
73.02965	0.9
85.02962	1.3
90.29164	0.5
91.35001	0.6
98.20046	0.7
101.02466	2.1
113.02467	1.6
123.04510	6.0
153.05560	11.7
161.04575	2.4
185.64703	0.6
207.13524	0.7
224.70872	0.6
233.10403	0.8
251.11330	8.6
252.11850	1.0
293.12274	3.7
315.11023	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	353.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.4
61.98800	0.6
84.07480	0.4
93.16901	0.4
106.04230	2.7
107.04987	1.3
109.02917	0.6
121.02945	5.4
123.04483	0.8
133.02972	3.2
134.03732	16.0
136.01633	1.8
144.05733	0.6
147.04478	0.7
148.01665	1.6
149.02405	1.1
149.06100	2.0
151.04034	0.6
157.06581	1.6
159.04453	0.7
159.08173	3.0
161.02432	13.7
161.09712	0.9
162.03200	5.9
166.02690	5.9
167.03110	0.5
168.82245	0.4
173.06032	0.5
174.03181	6.4
175.07632	1.1
187.03990	0.6
187.07663	0.5
189.09209	3.4
194.02185	4.8
201.05553	0.9
202.06386	0.6
203.07126	4.0
203.74086	0.4
206.02177	3.6
217.08673	100.0
218.09041	7.6
221.08253	0.8
229.08633	0.6
229.61469	0.6
253.02205	0.5
318.17322	0.5
353.13913	92.7
354.14233	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	353.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91854	0.4
51.33205	0.4
59.01368	1.3
60.58479	0.5
65.00314	0.5
69.28941	1.3
69.29361	2.4
98.19879	1.0
107.05018	0.7
108.02161	1.0
109.02951	0.7
109.06592	0.9
111.00926	0.4
121.02972	2.7
122.03780	0.5
123.00980	0.4
124.01661	2.7
133.02937	1.5
136.01640	0.6
137.02390	1.3
138.03204	1.4
139.04015	2.0
139.26949	0.4
145.02924	0.6
146.03735	1.5
148.01659	4.2
149.02458	4.8
151.03990	0.8
159.04526	1.1
161.02466	2.0
163.04001	4.0
171.08139	0.4
173.06029	1.0
177.09142	0.8
183.04485	1.2
185.06104	2.2
189.09189	1.2
197.06030	1.4
199.04036	0.9
201.05569	0.6
201.09187	2.9
205.88110	0.4
209.06064	1.7
210.06764	0.4
211.03973	2.7
211.07600	0.5
213.05478	0.8
213.09192	1.2
215.07161	0.5
221.06038	0.5
222.06778	0.6
223.07689	0.7
224.04674	0.8
225.05505	1.9
227.03458	0.4
227.07175	2.1
227.10695	0.8
237.05484	1.0
238.06354	0.5
239.07103	2.4
241.05083	1.9
242.05428	0.4
247.19096	0.4
251.07123	2.3
251.10800	1.1
252.04146	0.6
253.05054	1.5
253.12061	0.5
255.06598	1.0
255.10252	1.0
263.55896	0.5
265.05014	1.0
266.05869	0.7
267.06561	1.7
268.03668	0.9
268.11325	0.4
269.04526	4.1
277.05048	0.7
277.12332	1.0
279.10297	1.3
280.03775	1.0
280.06854	0.4
281.04446	0.8
281.07938	0.5
282.05191	1.2
283.06104	9.3
284.06720	3.5
293.11774	1.0
294.12534	1.3
295.06100	13.3
295.09644	2.5
296.06418	1.5
296.10031	0.4
297.07547	0.9
298.08224	0.5
309.11426	0.9
310.08557	0.7
311.12933	0.8
321.11304	6.6
322.11563	0.6
323.09280	3.1
324.09402	0.4
324.93631	0.4
337.10794	1.0
338.11584	15.4
339.11951	1.5
353.13907	100.0
354.14258	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	353.139
Annotation	Carexane L
Peak:m/z	Relative Intensity
51.65360	1.8
59.01382	15.4
61.98812	5.1
69.34201	1.8
71.01376	2.3
71.10738	2.2
80.02675	4.3
86.03424	2.0
96.96016	2.4
106.21774	1.8
108.02173	45.4
109.02955	30.3
121.02947	34.9
122.03320	2.9
133.02908	3.1
135.04414	2.8
148.01639	3.9
152.91678	2.2
160.10184	2.1
161.02417	13.1
191.10757	10.2
197.06029	2.7
211.04037	3.3
212.04556	2.2
223.07591	2.1
224.04758	2.8
225.05733	2.5
235.03888	2.4
239.03424	2.2
240.04294	16.9
241.04787	3.3
249.05519	4.0
251.07140	6.9
251.10722	8.6
252.04189	7.7
253.05014	5.2
267.06613	3.9
267.10059	1.9
268.03784	5.7
279.10272	9.4
280.03745	4.5
281.08093	5.2
283.06137	4.4
293.08517	2.7
293.11777	42.3
294.12408	9.4
295.09689	17.5
296.10275	4.2
307.13318	7.0
308.06946	2.1
308.10434	3.9
309.11508	3.7
309.14908	35.0
310.15350	4.5
311.12860	8.5
314.04300	1.8
321.13315	3.4
323.09222	100.0
324.09518	12.7
325.14429	25.6
326.14584	3.3
335.12720	3.3
338.07663	3.7
338.11572	63.7
339.11813	8.3
353.10172	5.6
353.13919	32.2
353.23334	3.3
354.14240	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	353.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26625	0.3
56.83181	0.2
58.05092	0.2
59.01361	0.6
60.33961	0.2
69.40414	2.0
77.03963	3.1
79.01889	2.0
91.51940	0.3
93.03454	0.4
105.03468	2.3
110.68975	0.3
117.03439	0.5
121.02969	1.8
123.04520	0.9
130.04169	0.3
131.05005	0.4
132.02174	1.1
133.02954	7.5
134.03226	0.4
135.04530	4.0
148.01674	0.4
149.02435	1.4
155.05014	0.3
157.02979	0.4
158.81488	0.3
159.04556	1.2
161.02455	0.8
167.03490	0.3
169.06567	0.9
173.06053	2.7
180.05800	0.4
181.06537	0.3
182.07294	0.3
185.06059	0.5
189.01845	0.7
191.07190	0.5
193.06506	0.5
194.07219	0.7
195.04370	0.4
195.08099	0.8
196.05281	1.5
197.06078	1.7
198.06786	0.8
199.07556	0.3
209.06088	0.7
210.06787	0.5
211.07564	0.8
212.04753	0.4
213.05634	1.3
215.07126	0.5
217.04929	0.4
220.15657	0.3
221.06044	1.1
223.03981	0.6
224.04781	3.5
225.05502	1.8
226.06395	1.8
227.07030	0.8
237.05525	1.2
238.06358	1.9
239.03401	0.5
239.07114	3.1
240.04175	0.8
241.05107	0.4
253.05034	3.2
254.05641	0.5
255.06694	1.2
265.05051	0.8
268.03656	0.7
281.04553	1.8
282.05310	6.4
283.06097	100.0
284.06451	9.9
284.09628	0.4
307.09937	0.4
314.04318	10.3
315.04703	1.0
325.10892	0.3
335.09253	7.5
335.13306	0.4
336.09653	0.9
351.08743	0.4
353.10275	99.0
354.10590	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	352.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64664	1.9
59.01368	15.0
61.98827	100.0
70.13865	1.8
71.56754	2.4
87.04518	6.6
97.06554	2.8
120.16391	1.8
193.07520	4.6
251.07048	4.9
263.07108	4.4
264.08023	2.4
269.04358	2.1
279.06592	7.2
322.08429	2.9
323.05515	8.7
338.07922	6.8
353.10297	24.8
353.23312	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	353.1028
Annotation	Platanetin
Peak:m/z	Relative Intensity
59.01365	0.4
65.00326	1.7
65.00618	0.3
69.94579	0.6
69.94992	0.6
72.79034	0.3
79.05525	0.2
83.01372	0.3
89.03963	0.2
93.03349	0.2
95.46976	0.2
98.19904	0.3
105.07088	0.4
107.01365	0.4
107.05006	0.4
108.02181	2.0
109.02935	1.1
109.06590	2.3
121.02943	1.1
123.04539	0.8
133.02943	5.4
133.06592	3.0
135.00876	0.9
136.01682	3.0
137.02419	0.4
145.02908	0.3
147.00830	0.7
147.04463	0.3
148.01648	1.4
149.02415	3.1
151.03989	0.4
151.07634	7.0
157.02937	0.5
161.02452	1.0
163.00366	1.8
163.07660	0.7
164.01157	1.7
165.01735	0.2
171.04535	0.5
173.02390	0.6
175.00365	0.8
175.03999	5.2
175.07596	0.7
176.01115	0.5
177.01894	0.5
177.09181	0.8
185.06113	0.4
189.01923	0.6
191.07085	0.4
197.06104	0.3
198.03186	0.8
199.03978	5.0
200.04445	0.3
201.01933	3.3
211.03970	0.5
212.04691	0.5
215.03456	0.3
216.04193	0.9
219.06676	0.4
221.47327	0.3
223.04073	0.3
225.05554	0.6
226.06346	2.7
227.03477	0.5
233.14174	0.3
237.12657	0.4
239.03555	0.3
239.10788	0.3
240.04254	1.7
241.05029	0.6
241.12386	0.5
242.05783	0.4
243.02899	0.9
243.10207	0.5
253.04918	0.7
254.05798	0.7
255.02945	0.5
256.03711	0.5
263.10645	0.4
265.04980	0.4
265.08691	0.4
266.05725	0.7
267.02939	1.3
267.10220	2.4
269.04617	0.6
270.05136	0.7
277.15344	0.2
280.03766	0.3
281.11853	0.7
283.02444	0.3
284.03226	3.4
285.11304	5.5
286.11688	0.6
291.10117	0.3
297.04016	3.6
298.04816	5.4
299.05075	0.6
309.03992	1.2
309.11334	1.0
323.05988	0.3
325.10721	0.8
330.03741	1.1
335.09357	0.3
337.07474	0.3
343.81644	0.3
353.10275	100.0
354.10617	14.2
354.17249	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1704
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
52.23081	0.8
53.77491	0.8
55.93147	0.8
59.01109	1.0
59.01376	10.5
66.08631	1.0
74.96167	1.3
79.79172	0.9
96.96014	1.5
103.66028	0.9
121.10225	7.9
133.45500	0.8
147.23941	0.8
156.14433	0.8
171.10248	15.8
229.04909	1.4
231.21095	1.0
275.20151	16.8
276.20490	1.9
278.85034	1.0
293.21234	9.6
294.21573	1.2
351.17047	100.0
352.17441	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	351.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01712	1.2
61.98830	1.9
67.20509	0.8
67.44626	0.8
71.01398	3.0
71.58575	0.8
73.02947	1.0
78.43318	0.8
85.02915	0.9
87.00883	1.3
96.95969	1.4
101.02439	1.8
113.02446	1.6
115.00359	1.3
121.02941	1.0
157.01062	0.7
161.02492	1.1
161.04622	1.7
175.02473	2.2
192.95961	0.9
220.96935	0.9
245.18132	0.7
291.14319	1.9
291.18307	3.3
351.16486	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	351.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87540	0.9
57.60875	1.0
58.43669	1.0
59.01371	4.4
69.43076	3.0
69.43508	4.5
71.01382	4.1
73.02934	1.0
83.01370	2.8
85.02952	2.7
88.04024	1.3
88.75056	1.0
89.02474	1.1
97.02921	2.3
99.00893	1.2
101.02432	1.9
115.10204	1.0
116.00393	1.0
119.59737	1.0
123.04513	46.0
124.04774	2.4
129.01935	1.3
130.05124	1.1
135.04523	1.4
152.07193	1.1
153.05563	100.0
154.05894	3.9
159.02966	9.7
160.06123	3.4
166.69247	1.0
172.06219	2.1
175.04167	1.8
313.11432	1.4
315.10843	32.4
316.11090	3.0
351.08435	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	351.0871
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
58.44419	0.5
59.01376	5.5
59.98311	0.4
61.98802	0.5
69.48801	3.4
76.09561	0.4
80.85563	0.4
114.71749	0.5
116.00318	0.5
117.03464	10.6
141.98262	1.7
156.18199	0.5
157.00594	1.6
166.34602	0.5
171.04480	1.9
173.02386	0.7
175.00363	0.8
192.95831	2.2
200.01050	0.5
200.99536	1.8
213.05536	4.0
214.05681	0.6
215.03516	5.2
233.04628	1.2
237.05545	0.8
240.04178	1.7
241.05040	1.1
243.02921	1.9
251.03558	0.6
258.05313	3.6
265.05002	1.1
277.08621	2.4
289.08661	2.5
290.08899	0.5
291.06689	2.0
293.04544	13.2
294.04877	1.3
295.09747	0.8
304.07245	1.2
305.08130	2.1
308.02542	0.5
309.07581	3.7
310.07852	0.5
322.08591	0.7
332.06866	1.2
333.07645	19.0
334.08008	2.5
335.05612	1.4
335.16940	0.5
336.06146	1.1
350.07993	2.3
351.08691	100.0
352.09079	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	350.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.4
60.26520	0.4
61.98825	100.0
68.99826	0.6
71.01398	0.5
71.56326	0.7
80.82640	0.4
102.35927	0.4
111.34707	0.4
116.05044	0.5
135.04510	1.4
151.00410	1.2
159.32523	0.4
192.13858	0.6
275.56714	0.4
287.05582	1.3
290.14001	0.7
350.16302	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	350.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74451	0.4
59.01380	0.9
61.98827	100.0
69.65583	0.7
69.65979	2.1
87.65167	0.3
90.91471	0.4
109.02920	0.5
123.04526	0.5
139.02083	0.4
147.04546	1.2
287.09290	1.1
295.43423	0.3
350.15991	0.4
351.14462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1609
Annotation	(12S)-12-hydroxyretroisosenine
Peak:m/z	Relative Intensity
59.01378	100.0
60.01723	2.2
61.98812	3.3
64.61755	1.4
68.83126	1.3
68.99812	11.0
71.01386	5.4
71.11298	3.9
85.02986	1.6
89.02430	1.6
96.99306	10.5
101.02427	1.6
116.05080	1.8
161.02391	1.8
175.02475	2.3
176.14420	2.5
188.06960	1.6
190.12318	3.9
192.13899	17.3
192.95996	1.6
204.13985	2.4
216.13908	2.8
246.14983	6.0
262.14526	5.3
290.13971	22.5
290.72849	1.3
291.14426	1.6
291.18198	4.6
326.56000	1.6
350.16064	67.6
350.20404	3.3
351.16315	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	349.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
57.03449	0.3
59.01376	100.0
59.68322	0.3
60.01707	1.1
63.23097	0.3
65.07562	0.3
68.62775	0.3
69.91898	0.5
69.92314	0.9
71.01382	3.1
73.02947	0.9
83.01404	0.3
85.02959	1.3
99.00893	0.6
101.02442	2.7
113.02429	1.3
159.02950	0.3
161.04539	2.0
253.57797	0.3
289.16479	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34842	0.4
55.01868	1.6
59.01376	100.0
60.01707	1.5
61.98838	0.9
63.37928	0.5
67.06902	0.5
68.99792	0.5
71.01379	3.9
73.02970	0.6
75.00891	0.6
85.02976	0.9
89.02436	3.3
101.02441	2.1
113.02464	1.3
116.05055	38.2
117.50083	0.5
119.03497	1.7
129.01976	1.7
147.02948	2.4
161.04666	0.8
165.04041	1.0
179.05682	0.5
202.08720	21.7
253.23741	0.5
349.18835	0.5
350.12524	2.0
350.16187	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28384	0.7
52.35494	0.6
52.45269	0.7
59.01377	100.0
60.01711	0.9
71.01398	2.8
71.56043	1.1
80.26608	0.6
85.02986	0.8
89.02460	2.8
101.02458	1.1
113.02449	1.1
119.03505	1.9
187.62790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	94.4
61.26770	14.7
61.98837	17.5
69.24961	90.6
69.25384	64.9
89.02421	16.0
96.30880	16.1
96.95996	34.0
124.55333	20.0
135.79578	17.9
200.51344	18.0
255.44154	18.0
311.22131	100.0
313.22519	19.0
313.65341	16.4
347.76813	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	349.997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.0
61.98798	0.7
63.78852	0.3
70.47896	0.3
71.01378	4.2
72.99274	0.5
73.02967	0.5
83.01413	0.3
85.02939	1.2
86.02473	0.8
86.03223	0.3
89.02438	3.2
92.05065	0.5
95.01410	0.3
96.96011	0.9
98.19858	0.8
98.95570	1.8
99.00900	0.4
99.92580	12.1
100.54164	0.3
100.92650	0.5
100.93387	1.2
101.02448	2.3
108.04549	1.0
113.02439	1.5
115.92073	23.5
116.92857	100.0
117.03449	0.5
117.92866	5.9
119.03497	1.1
120.04570	0.5
122.02511	0.3
122.06112	1.2
124.07720	0.4
125.92874	0.6
136.03999	0.5
138.05621	1.1
148.86230	0.3
150.05617	0.8
161.04521	0.9
166.05099	1.0
167.05901	0.5
167.22997	0.3
168.06664	1.0
169.95534	2.2
170.93848	1.7
177.09584	0.8
179.05614	0.4
197.42723	0.3
210.03995	0.6
212.05652	3.0
218.70050	0.4
240.93166	0.5
244.00650	0.6
260.00137	0.7
287.99677	1.1
289.11688	0.6
307.12744	2.0
333.10696	0.4
338.12943	0.4
349.18750	1.6
349.99670	4.7
350.19058	1.5
350.99875	0.6
351.05463	0.6
351.12054	2.9
351.16681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.171
Annotation	Rhodioloside A
Peak:m/z	Relative Intensity
53.59183	0.4
55.01882	0.5
57.03451	0.5
59.01378	100.0
60.01720	0.7
70.85634	0.4
71.01379	6.4
71.56623	0.6
72.99342	0.4
73.02943	1.9
83.01385	1.1
83.05043	0.5
85.02940	3.0
85.06585	0.6
89.02460	1.7
95.01420	0.6
97.02970	0.4
99.00886	0.7
101.02435	3.7
101.13799	0.4
113.02449	2.8
113.09740	0.7
117.10307	0.4
119.03561	1.0
125.09723	4.9
143.10818	2.6
155.10786	2.6
161.04564	2.8
176.93309	0.4
199.09781	1.6
286.97964	0.4
305.16055	1.4
347.13477	0.8
347.17136	1.3
368.27792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44505	0.5
57.03461	0.6
59.01376	100.0
60.01723	0.8
69.21297	6.0
71.01382	9.6
73.02953	2.3
81.57993	0.6
85.02952	3.1
85.06606	0.8
89.02455	1.6
95.01403	0.6
98.20628	1.3
101.02433	4.3
113.02458	2.8
113.09737	1.2
119.03543	0.6
125.09740	4.3
143.10762	5.7
161.04587	3.5
199.09769	4.2
269.16440	0.7
305.16159	1.8
308.95325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01715	1.2
69.76160	1.1
69.76569	3.1
71.01398	1.3
73.94158	0.8
87.04488	0.8
91.03990	1.5
101.02436	1.1
107.84846	0.7
115.03995	0.8
143.03375	0.7
164.02417	0.8
213.14978	4.0
222.75946	0.7
226.47849	0.7
267.91373	0.8
347.18661	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	347.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30338	0.4
59.01378	100.0
60.01720	1.3
63.49107	0.4
70.80177	1.7
71.01398	1.3
85.02982	0.9
87.04501	0.9
91.03989	0.9
95.80404	0.5
101.02474	0.8
101.18457	0.4
105.49151	0.6
113.02485	0.8
115.04037	1.8
116.60372	0.5
125.02426	0.9
134.03920	0.5
143.03513	0.8
213.14909	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	6.2
59.01113	6.3
59.01381	100.0
61.98819	5.3
69.03447	8.3
71.01380	54.6
71.56548	5.8
72.99297	11.8
73.02952	24.5
73.58604	3.9
75.00865	8.0
76.37970	3.8
85.02947	45.6
87.00849	10.0
87.04510	48.6
96.96026	7.4
97.02971	9.3
99.00885	9.1
99.04517	4.7
99.35392	4.2
101.02451	24.0
113.02447	21.9
115.03999	97.9
125.02454	47.5
142.02629	4.2
143.03502	83.5
155.94392	4.7
186.94516	3.9
187.30388	3.5
211.85739	4.9
347.09793	23.5
347.24335	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	347.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61014	0.5
50.73558	0.5
55.01861	0.6
57.03431	0.9
59.01376	100.0
60.01709	1.1
71.01376	9.9
71.01933	1.3
71.04999	0.8
71.53670	0.5
73.02937	3.2
83.01382	0.8
85.02943	4.6
86.53069	0.6
89.02435	0.7
95.01400	0.8
99.00880	0.9
101.02440	5.7
113.02444	3.6
143.10811	2.2
159.03023	0.6
161.04597	3.3
235.52553	0.5
305.16055	5.7
315.06329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03448	1.1
59.01375	100.0
60.01711	1.6
70.36828	1.2
71.01376	12.3
73.02940	6.0
75.84122	0.4
83.01375	2.3
85.02938	4.1
85.06596	0.4
89.02420	2.3
95.01406	0.9
99.00883	1.1
101.02431	9.5
113.02451	4.2
119.03532	0.5
119.67206	0.4
120.25912	0.4
132.71979	0.4
143.03471	0.5
143.10739	3.1
159.03014	1.1
161.04539	4.6
216.39995	0.4
254.44446	0.4
265.24789	0.4
305.16058	4.8
306.16379	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
59.01376	100.0
60.01714	0.7
61.03569	0.7
70.56627	2.1
70.84444	0.6
71.01371	6.9
71.05022	0.7
73.02940	3.3
83.01385	1.4
85.02930	4.0
89.02450	1.8
94.19538	0.6
96.96022	0.8
99.00883	1.2
101.02432	5.2
113.02415	3.2
143.10760	1.7
150.36647	0.7
161.04587	2.8
162.05653	1.4
163.05939	1.1
164.70973	0.6
229.12653	0.7
305.16006	4.0
315.06213	1.7
347.08441	0.8
347.12759	0.8
347.86761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29169	0.8
58.01775	0.9
59.01377	100.0
60.01718	1.6
62.02042	0.8
69.50636	7.0
70.72252	0.9
73.50715	0.9
98.19847	1.7
102.52469	1.2
107.84609	1.0
108.02171	18.9
123.04530	14.2
167.03479	33.9
172.52713	0.9
211.13367	8.4
271.85379	1.0
290.97238	1.3
300.71393	1.0
315.05063	1.8
330.07462	1.8
345.06046	3.6
345.18936	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10707	1.3
58.62352	1.6
59.01377	100.0
59.56332	1.2
61.98833	1.6
69.25043	4.4
69.25468	8.4
76.86546	1.3
78.20364	1.3
181.39510	1.3
186.95485	2.0
193.04979	1.6
211.13358	8.4
290.97006	3.2
345.05786	1.9
345.19046	4.6
345.22946	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	346.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09473	0.3
53.02627	0.3
58.96678	0.3
59.01374	20.2
60.01717	2.2
61.98826	100.0
71.00160	0.7
97.50558	0.4
100.20646	0.4
108.55387	0.3
111.61280	0.4
117.70988	0.3
123.56956	0.4
158.03711	0.4
159.03328	0.8
201.02542	2.9
202.02695	8.8
203.02246	10.7
203.99977	45.9
204.02650	2.5
205.00139	3.7
314.64932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05928	1.2
59.01113	1.3
59.01379	13.6
61.98813	3.1
69.32458	9.4
71.01379	26.2
71.84360	1.1
72.99278	1.3
85.02956	1.5
87.05621	1.2
88.03514	1.6
88.04039	22.2
89.02437	5.5
95.02502	1.8
96.03242	1.2
97.04057	1.2
98.20602	1.7
101.02423	3.7
113.02425	1.4
119.03445	2.2
121.10206	5.6
125.09682	2.8
137.09735	2.3
139.01956	1.2
148.11269	1.4
162.05562	2.6
164.07149	2.5
165.09193	11.7
166.09557	1.3
166.12361	11.4
170.11842	2.1
171.10301	7.3
177.14030	1.7
178.12325	4.4
182.11972	1.3
183.10226	8.3
184.13350	2.1
186.09381	1.3
194.11736	1.3
195.15001	4.9
196.13426	10.6
203.12010	1.2
210.11354	1.1
210.91885	1.1
218.93199	1.1
221.12950	31.8
222.11246	2.3
222.13254	2.6
227.14021	6.6
239.13997	87.4
240.14346	7.3
299.16089	5.8
311.16110	100.0
312.16443	9.0
328.19214	1.7
345.14960	98.9
346.15265	9.0
346.20175	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	345.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80495	1.1
57.12059	1.1
59.01370	8.3
61.84741	1.3
61.98846	1.2
63.73272	1.4
71.01389	2.4
71.34462	2.9
75.00865	12.5
89.02445	2.9
96.96041	1.9
117.01920	2.7
135.02997	55.6
136.03275	1.6
165.12840	22.0
166.13193	1.5
174.99379	1.4
183.13893	100.0
184.14229	5.4
209.11736	2.1
227.12871	78.0
228.13068	6.3
279.76315	1.5
290.96884	1.6
345.15604	21.5
345.22287	2.8
346.15930	2.0
365.76709	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	344.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89624	1.1
58.00597	1.7
58.25740	1.0
59.01378	60.9
61.98830	26.2
65.25974	1.1
69.72881	7.0
71.01379	29.4
72.00908	3.2
72.99303	2.8
73.02972	1.8
73.70961	1.2
83.01382	3.5
85.02946	7.1
87.00886	2.8
89.02442	25.0
92.05052	8.6
95.01389	4.9
97.49528	1.1
99.00806	1.1
101.02446	19.7
108.04529	3.5
113.02467	11.1
119.03491	10.7
120.03776	1.8
120.04554	21.8
122.06110	4.6
123.00923	1.5
123.04442	1.5
133.01559	2.0
135.04532	1.4
136.04042	7.4
137.04735	1.4
138.05608	34.8
139.03976	4.8
147.04633	1.3
150.04172	2.2
151.00339	9.4
151.03972	1.4
164.03525	81.5
165.03851	4.7
169.01369	7.7
180.06633	3.1
196.08418	2.1
202.55081	1.3
218.91595	1.1
222.10004	3.8
234.95020	1.3
266.08920	1.8
300.10867	17.2
327.10379	2.4
344.09799	100.0
344.13342	10.8
345.04410	2.1
345.10410	8.1
345.13959	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	344.1498
Annotation	Prostephabyssine
Peak:m/z	Relative Intensity
57.03433	0.5
59.01366	2.6
61.20565	0.6
71.01385	2.8
71.54602	0.7
73.02927	0.9
79.95728	1.0
85.02947	1.0
89.02427	0.7
93.03445	2.1
95.96983	0.6
101.02431	1.7
109.02964	6.1
113.02433	1.0
121.02954	18.8
122.03825	3.4
123.00878	2.5
123.03994	1.3
124.01658	2.0
125.02454	6.4
125.46432	0.6
135.04521	2.5
137.02457	2.7
137.06052	1.4
138.06430	1.6
139.03940	0.6
145.02937	2.9
147.04541	1.6
149.02440	11.5
161.02446	4.8
162.03290	4.6
162.04533	1.1
163.03952	2.3
164.07132	0.8
166.08690	1.0
175.04042	1.1
182.05508	0.8
185.06178	0.7
187.07748	0.7
192.06664	8.2
192.10358	0.8
193.07089	0.8
194.08228	2.2
195.09029	5.6
197.06058	2.8
199.07657	0.9
200.04620	0.7
207.08998	18.5
208.09357	1.1
209.06073	1.9
210.11304	5.5
211.04042	0.9
212.04922	0.7
213.05597	1.4
215.07159	1.7
220.09749	1.3
222.11354	3.9
223.83217	0.6
225.05553	14.2
226.05988	1.1
227.07130	2.8
228.04147	0.9
229.04958	1.3
243.06586	2.1
253.05038	25.0
254.05753	6.0
255.06560	1.3
256.03769	4.7
257.04398	2.3
269.04559	1.1
270.05200	3.2
271.06094	52.7
272.06488	5.5
284.07043	1.3
285.07620	2.8
313.13171	1.9
319.80460	0.6
329.12631	26.1
330.13089	2.5
344.14975	100.0
345.12079	0.6
345.15375	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2486
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.70546	0.5
51.30688	0.6
59.01379	7.8
59.96765	0.5
69.03438	1.4
73.49034	0.5
78.54335	0.5
83.05025	1.6
89.02448	0.8
97.06622	0.6
99.08157	7.3
107.01357	1.3
109.06587	1.2
111.04522	0.8
117.04192	0.6
121.02926	0.8
121.10220	1.6
125.09676	1.1
127.07635	1.0
137.09703	1.7
139.11317	0.9
151.11215	0.8
163.11307	0.7
165.12732	0.9
171.10258	14.8
172.10555	1.1
175.11290	0.9
193.12311	14.6
194.12662	0.9
201.02550	0.9
207.14037	0.7
211.13399	3.3
225.14946	20.0
226.15268	1.8
243.16000	6.6
244.16162	0.6
245.19136	1.0
289.18082	21.8
290.18549	3.1
293.21161	2.2
307.19144	2.6
325.23825	1.1
343.24854	100.0
344.25198	13.3
344.29337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70546	0.5
51.30688	0.6
59.01379	7.8
59.96765	0.5
69.03438	1.4
73.49034	0.5
78.54335	0.5
83.05025	1.6
89.02448	0.8
97.06622	0.6
99.08157	7.3
107.01357	1.3
109.06587	1.2
111.04522	0.8
117.04192	0.6
121.02926	0.8
121.10220	1.6
125.09676	1.1
127.07635	1.0
137.09703	1.7
139.11317	0.9
151.11215	0.8
163.11307	0.7
165.12732	0.9
171.10258	14.8
172.10555	1.1
175.11290	0.9
193.12311	14.6
194.12662	0.9
201.02550	0.9
207.14037	0.7
211.13399	3.3
225.14946	20.0
226.15268	1.8
243.16000	6.6
244.16162	0.6
245.19136	1.0
289.18082	21.8
290.18549	3.1
293.21161	2.2
307.19144	2.6
325.23825	1.1
343.24854	100.0
344.25198	13.3
344.29337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03433	1.0
59.01383	5.1
66.23325	0.4
68.99824	0.5
69.03444	1.2
70.48396	1.2
71.01381	0.4
77.95783	0.4
81.03429	0.5
83.05021	1.2
97.06572	1.1
99.08156	9.2
107.01366	0.6
109.34858	0.4
111.08169	0.6
115.46588	0.3
119.55017	0.3
121.02960	1.0
121.06573	0.4
121.10214	1.3
125.09718	1.7
127.11245	0.6
137.09702	1.1
149.13385	0.7
149.68060	0.3
151.57785	0.4
153.09222	0.5
165.12828	0.7
165.46519	0.4
171.08788	0.7
171.10265	12.8
172.10602	0.5
175.11229	0.8
191.10754	0.4
193.12318	17.0
194.12675	1.3
197.15494	0.4
201.02519	0.9
211.13354	3.4
212.13907	0.5
213.18648	0.7
225.14951	22.3
226.15282	1.3
227.05731	0.4
243.15962	7.8
244.16298	0.8
277.18427	0.3
291.19870	0.4
293.21225	2.4
307.19080	0.4
311.01779	0.6
325.23822	0.5
343.24854	100.0
344.25208	12.4
362.29373	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54726	2.4
59.01376	16.7
61.98819	2.4
63.77282	2.1
65.03955	4.1
69.90168	7.5
69.90542	4.3
71.05018	5.7
75.17477	2.0
93.03471	2.5
96.96009	12.9
97.06576	9.7
99.08163	12.0
107.01373	4.2
121.02967	5.4
121.06578	15.4
125.09728	8.8
149.02457	3.2
171.10278	6.4
175.11237	3.2
184.06750	2.0
185.11792	14.7
193.12279	13.6
201.02522	3.3
209.11816	8.2
211.13432	10.1
225.14920	16.3
227.05615	2.7
235.13429	18.4
243.16000	7.1
289.18100	12.9
307.19135	28.2
308.19452	3.3
324.76990	2.3
343.04385	2.5
343.08231	7.7
343.24875	100.0
344.08951	2.1
344.25204	11.7
357.76395	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	343.2123
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03440	3.3
59.01379	5.3
61.89175	0.7
62.55464	0.6
69.03448	1.6
70.95725	1.0
70.96070	1.4
71.01376	1.0
71.05006	2.7
73.02957	0.8
74.46195	0.7
76.99877	0.6
79.01899	0.7
81.62659	0.5
83.05009	4.0
84.02161	2.9
85.02960	3.2
85.06590	2.4
87.04515	4.5
95.05022	6.5
97.02970	0.8
97.06573	1.8
106.04182	0.7
106.53503	0.6
107.01396	1.8
109.06567	1.1
111.01011	0.6
113.06066	1.8
117.65572	0.7
121.02896	0.6
123.08147	1.3
125.09702	2.2
127.11260	2.3
135.08133	2.2
153.09239	0.9
163.11214	0.9
165.12883	1.3
167.14380	1.1
171.10251	22.3
172.10657	0.9
183.13907	3.7
185.11806	1.9
193.12263	1.5
201.11305	1.1
209.11761	5.1
211.13379	17.1
212.13783	1.2
221.11778	2.1
223.13516	0.8
229.14418	19.1
230.14752	1.2
237.14931	13.6
238.15305	1.4
239.12910	1.8
245.19139	0.7
249.14937	3.5
255.15988	1.2
267.15967	1.1
289.18076	1.7
307.19131	2.2
325.20154	11.8
326.20508	1.4
337.62140	0.8
343.21219	100.0
344.18204	1.1
344.21652	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	343.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61354	0.6
59.01377	100.0
60.01711	1.5
70.69075	1.2
71.01384	4.9
89.02444	5.7
97.63251	0.5
101.02457	2.0
113.02470	1.6
115.14616	0.5
119.03506	1.0
125.02419	3.0
126.04877	0.5
126.44138	0.6
142.28885	0.5
167.69859	0.5
179.05649	1.1
186.45909	0.5
197.04561	2.3
227.05672	0.7
323.16699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27534	0.4
59.01377	100.0
60.01712	1.2
64.94529	0.4
69.53671	3.3
71.01384	3.5
73.02963	0.6
77.33086	0.4
85.02940	0.9
87.99107	0.4
89.02446	4.6
95.01347	0.7
96.54682	0.5
96.96058	0.9
98.02489	0.8
98.19914	1.1
101.02462	1.6
107.01253	0.5
113.02456	2.0
119.03516	1.8
119.05029	0.8
131.03491	0.6
191.05196	0.5
191.94394	0.5
197.12956	1.0
241.04994	0.5
263.14975	0.5
343.07986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86909	0.5
58.90149	0.5
59.01377	100.0
60.01711	1.0
63.31289	0.5
71.01385	4.0
73.09705	0.4
73.75689	0.5
74.28780	0.5
89.02444	6.0
101.02460	1.8
112.23205	0.6
113.02475	2.0
119.03519	1.3
143.03468	0.6
179.05672	0.9
343.07523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
54.01959	0.5
59.01375	17.1
61.98832	2.8
64.37502	0.7
66.36211	0.5
70.42463	1.3
71.01385	2.0
74.40798	0.6
79.60740	0.5
85.02953	2.1
88.04026	1.0
89.02454	0.9
93.03471	0.8
101.02413	0.8
107.05059	0.8
109.02957	5.9
109.06564	3.3
119.03546	0.5
119.05026	5.0
121.02956	9.6
122.03753	1.1
123.03202	0.7
124.01690	0.6
125.02470	0.7
134.04814	0.6
135.04504	4.9
137.02455	1.2
137.06078	29.2
138.05563	3.4
138.06512	1.2
139.04021	0.6
139.05975	3.2
140.07207	0.7
144.00864	0.5
161.83931	0.5
168.00610	0.9
179.03488	0.7
181.05052	100.0
182.05392	5.5
197.04514	0.8
327.30392	0.5
343.06604	1.5
343.10242	17.4
344.10770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.6
61.98829	0.6
70.95164	1.0
71.01371	3.2
73.02934	0.9
83.01389	1.0
83.79550	0.4
85.02941	2.3
89.02442	1.1
95.01385	6.8
101.02448	1.5
101.47868	0.5
108.02162	1.2
109.02934	1.8
111.00880	0.9
113.02460	1.5
119.04987	0.8
121.02982	2.5
122.03716	3.3
123.00877	100.0
124.01674	39.9
125.01970	1.0
136.01677	0.8
137.02443	2.5
137.06091	2.1
138.02104	1.0
138.03217	49.6
139.04007	54.7
140.04333	1.7
149.02441	1.6
149.30888	0.5
150.03166	1.7
151.04039	1.4
153.01913	0.7
161.04533	1.6
163.04053	0.6
165.01923	3.5
166.02721	2.8
167.03447	0.6
178.02730	0.7
181.05038	4.8
193.05025	1.5
203.05696	0.5
253.05312	0.6
283.08127	0.9
296.49567	0.5
328.07806	0.8
343.10312	10.5
344.10654	2.0
344.14822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.2
56.70250	1.8
59.01372	18.3
60.01690	2.1
66.60809	2.1
70.93328	3.9
71.01373	56.5
73.02947	18.3
80.78382	2.5
83.01392	3.5
85.02950	25.3
87.00878	3.1
89.02440	4.2
92.26418	2.4
93.03459	3.8
95.01394	6.2
99.00873	6.1
101.02441	26.9
109.02952	8.7
113.02448	24.0
119.05063	2.2
121.02953	48.9
122.03735	99.0
123.00885	26.3
123.04033	3.7
124.01634	6.4
125.02431	7.6
135.04517	8.0
136.05330	11.9
137.02408	4.6
137.06078	83.9
138.03252	15.6
138.05479	3.1
139.04034	13.5
144.88052	2.4
145.02977	4.5
149.02437	7.3
159.03026	6.8
161.02415	11.6
161.04530	13.3
162.03101	7.5
163.03995	7.5
164.04781	3.5
181.05087	19.7
186.56732	2.0
192.06628	5.2
194.08275	2.2
195.09024	5.8
207.09030	13.1
222.11296	3.9
225.05589	8.9
227.07042	2.6
253.05069	19.9
254.05719	3.5
256.03674	6.9
261.44788	3.1
270.04987	9.7
271.06104	49.2
280.13834	2.1
328.11783	7.2
329.12650	17.5
343.10382	5.5
343.13995	9.6
344.14978	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00320	0.4
57.03458	0.3
59.01378	10.6
68.01415	1.9
68.16360	0.2
71.01376	1.0
73.02941	0.7
80.74645	0.2
83.01413	0.2
89.02429	0.2
92.58939	0.2
95.05043	0.3
96.04549	0.3
98.02518	0.3
101.02417	0.5
113.02438	0.4
118.06583	0.3
119.05058	0.3
121.02940	0.3
122.02483	0.8
123.03259	8.2
124.03610	0.2
124.07671	0.5
130.08745	0.3
135.17139	0.2
136.07683	0.4
137.04816	0.5
138.05605	100.0
139.05946	4.4
149.02464	0.2
152.07124	0.6
167.05833	0.7
168.06546	0.2
180.06656	4.0
181.07014	0.3
192.06635	0.6
197.12927	0.6
208.63580	0.2
222.07622	0.3
224.06480	0.4
229.74260	0.2
269.04434	0.3
282.09799	1.5
300.10971	1.5
306.06006	0.2
342.11899	7.9
342.23749	0.4
343.12338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83363	0.1
59.01376	81.8
59.17776	0.1
60.01708	0.8
61.98833	0.2
70.27567	0.1
71.55154	0.2
74.96706	0.1
82.95413	0.1
89.02443	0.2
90.79567	0.1
111.23233	0.1
113.04619	0.2
115.02510	0.2
136.94029	0.3
157.03551	6.8
158.03712	0.6
159.01497	2.9
160.01666	0.2
178.95047	0.6
178.97746	0.3
201.02534	100.0
202.02699	9.6
260.95285	0.3
261.01239	0.1
273.12799	0.1
343.03690	3.3
344.03839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.4
59.01381	4.7
59.51828	0.4
61.98815	0.5
69.03462	2.5
69.92944	2.0
71.01369	2.4
83.01389	0.5
83.05021	1.5
84.02157	1.9
85.02953	0.5
89.02448	2.0
95.05019	0.8
97.02972	0.7
97.06580	10.3
98.20528	0.6
99.04510	0.9
101.02441	1.1
111.08189	0.5
113.02412	0.8
119.03430	0.5
119.05029	0.8
119.08684	0.4
123.78460	0.3
125.09682	1.5
127.11304	0.4
127.87460	0.4
137.09686	1.2
150.88976	0.5
151.11302	0.5
161.04622	0.5
165.12810	1.0
171.10269	7.7
172.10545	0.7
175.11253	1.1
177.12810	0.6
179.05592	1.0
183.13901	1.1
185.11765	0.8
193.12317	17.0
194.12669	1.6
197.15396	0.8
205.15984	0.5
211.13379	3.8
221.11824	1.7
223.17030	1.4
225.14943	23.0
226.15271	1.9
236.34424	0.4
237.75513	0.4
243.15982	8.8
244.16327	0.6
253.14403	0.7
269.04489	0.4
291.19513	0.9
305.21149	0.5
323.22339	0.6
341.07205	2.2
341.23282	100.0
342.17209	0.6
342.23636	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	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06733	0.4
55.31482	0.4
56.37304	0.3
57.03455	0.5
59.01376	1.8
59.90787	0.3
69.03448	2.6
69.71436	2.3
69.71744	0.4
71.05020	0.5
82.71375	0.4
83.05013	1.5
84.02158	2.3
89.02460	0.5
97.02950	1.0
97.05966	0.8
97.06587	12.8
99.04533	1.1
117.04230	0.4
125.09711	1.9
137.09697	1.2
149.13319	1.2
151.11252	0.6
153.09265	0.4
165.12807	0.9
171.08797	0.6
171.10263	9.9
172.10677	0.5
175.11229	0.6
177.12846	0.7
185.11784	0.9
189.76349	0.4
193.12321	17.6
194.12683	1.3
197.15439	0.8
203.10892	0.4
211.13338	3.0
221.11865	1.2
225.14941	21.8
226.15309	2.0
243.16002	9.7
244.16351	0.8
253.14423	0.9
255.71284	0.3
291.19696	1.3
323.21991	0.6
341.23285	100.0
342.23642	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	341.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62785	1.0
52.43404	0.7
58.02709	1.4
58.02978	24.0
59.01371	2.4
61.46408	0.8
70.02978	24.4
70.16462	3.4
71.01365	2.5
71.02501	3.4
74.25257	0.7
87.05645	1.7
89.02431	1.9
95.02477	2.4
96.00915	51.2
113.03570	19.4
114.01968	39.6
123.04419	0.9
131.04623	24.6
161.02443	1.0
162.06393	0.7
165.12828	2.6
165.97333	0.8
182.15495	39.8
183.15807	3.1
208.13466	1.7
208.17003	4.2
225.16080	14.3
226.14473	40.4
227.14809	2.6
235.18092	1.6
236.16490	1.7
253.19276	1.1
279.17120	21.3
280.17599	1.5
297.18124	1.4
305.15002	1.4
323.16089	22.5
324.14362	1.3
324.16470	1.2
341.06403	3.6
341.17133	100.0
342.17447	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	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13675	2.2
57.03440	8.9
57.97160	2.0
58.00560	2.0
59.01379	33.7
65.00294	2.1
67.01883	6.1
69.03455	11.4
71.01372	21.5
71.05013	34.3
71.55862	3.3
72.99291	2.7
73.02954	3.1
81.03458	32.2
83.01390	2.6
83.05025	29.6
84.02183	3.1
85.02937	8.4
87.04496	5.0
89.02432	19.5
93.03423	5.7
95.05030	14.7
96.96039	2.8
97.02938	6.8
97.06603	6.0
99.04517	35.3
101.02425	10.7
101.06063	6.3
102.22736	2.3
107.05010	2.4
108.02187	2.3
108.46899	2.4
109.02950	3.8
109.06591	16.6
110.03738	3.1
111.04520	11.7
111.67360	2.3
113.02437	7.8
119.03469	5.8
121.02964	2.7
123.08212	4.5
125.06029	3.1
125.09711	6.3
127.11312	4.8
133.06578	6.1
136.01706	3.1
137.02406	3.0
137.06120	2.3
151.07660	14.4
153.09160	3.4
155.10725	4.2
161.02431	2.7
161.04562	3.6
161.09758	2.8
165.09142	2.6
171.10265	55.9
172.10701	4.4
179.05608	11.7
185.11731	8.7
189.12767	4.9
191.14404	5.2
193.01407	4.0
193.12291	15.5
199.13399	5.0
201.11299	8.9
207.13982	2.6
209.11818	5.8
211.13373	5.7
213.11345	2.8
221.11784	5.4
222.14977	2.5
223.13356	10.8
230.63300	2.2
235.13371	44.3
236.13757	3.6
237.14847	4.7
239.12868	9.0
243.17531	7.1
247.13251	2.5
249.14954	2.4
251.12878	4.7
253.04814	2.7
253.14429	100.0
254.14743	7.3
265.14417	3.4
269.04333	2.7
281.04578	3.5
283.06061	4.5
287.16516	26.6
288.16953	3.0
295.06244	3.2
303.45078	2.4
305.17630	16.8
323.05563	4.5
323.18515	9.4
341.06461	17.0
341.10812	13.0
341.19641	75.5
342.20056	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	341.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.3
57.03446	21.0
59.01099	2.3
59.01377	29.2
60.52726	1.4
61.98814	1.5
71.01380	20.0
71.57343	1.9
72.99303	1.7
73.02939	5.7
75.00874	3.0
83.01360	2.5
85.02931	5.0
85.37206	1.4
87.00852	1.6
89.02432	15.7
89.03979	2.5
93.03458	4.5
95.01384	2.1
101.02449	9.5
108.81538	1.5
113.02451	6.9
117.03428	9.6
119.03511	4.5
119.05013	3.0
120.01237	1.5
121.02962	20.3
125.02464	1.6
129.01971	7.7
134.03737	92.2
135.04056	3.5
136.05269	1.7
137.02429	6.2
137.06117	1.8
138.05539	3.1
139.48100	1.6
143.03500	1.7
147.03008	7.6
149.06029	8.5
151.00412	3.0
161.02431	2.3
161.04536	1.9
165.04001	7.5
178.02692	4.3
179.05684	5.7
179.07130	79.9
180.07477	4.9
193.05046	100.0
194.05371	5.7
253.70609	1.6
327.14511	2.1
341.06628	4.7
341.11078	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	341.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
58.00600	1.2
59.01377	100.0
64.15385	1.1
68.33952	1.0
69.03429	1.6
69.64827	6.1
71.01379	42.5
72.99298	1.9
73.02943	39.6
75.22992	0.9
76.73460	0.9
81.43191	0.9
83.01390	9.8
85.02951	10.4
87.00890	2.3
89.02442	21.7
93.03451	2.6
93.08291	1.0
95.01368	2.9
96.34361	1.0
98.20585	1.0
99.00900	1.1
101.02441	30.7
102.02791	1.4
113.02450	22.1
119.03622	7.4
119.05018	43.2
120.05360	2.4
131.03502	2.8
134.03740	2.6
135.04520	34.3
136.04800	2.0
137.02431	4.4
137.06023	1.6
138.05595	7.5
143.03503	3.0
149.04582	1.3
161.04547	5.7
178.02545	0.9
179.03500	35.1
179.05438	2.3
180.03757	2.6
281.10284	17.8
282.10629	1.3
299.11325	5.9
341.08713	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	341.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.3
57.03446	21.0
59.01099	2.3
59.01377	29.2
60.52726	1.4
61.98814	1.5
71.01380	20.0
71.57343	1.9
72.99303	1.7
73.02939	5.7
75.00874	3.0
83.01360	2.5
85.02931	5.0
85.37206	1.4
87.00852	1.6
89.02432	15.7
89.03979	2.5
93.03458	4.5
95.01384	2.1
101.02449	9.5
108.81538	1.5
113.02451	6.9
117.03428	9.6
119.03511	4.5
119.05013	3.0
120.01237	1.5
121.02962	20.3
125.02464	1.6
129.01971	7.7
134.03737	92.2
135.04056	3.5
136.05269	1.7
137.02429	6.2
137.06117	1.8
138.05539	3.1
139.48100	1.6
143.03500	1.7
147.03008	7.6
149.06029	8.5
151.00412	3.0
161.02431	2.3
161.04536	1.9
165.04001	7.5
178.02692	4.3
179.05684	5.7
179.07130	79.9
180.07477	4.9
193.05046	100.0
194.05371	5.7
253.70609	1.6
327.14511	2.1
341.06628	4.7
341.11078	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	341.1084
Annotation	Sucrose
Peak:m/z	Relative Intensity
52.13013	0.6
55.01884	0.8
56.35473	0.5
57.03442	1.5
58.00589	2.9
59.01374	100.0
59.95730	0.5
60.01703	1.6
69.58643	3.2
69.59039	1.2
71.01376	71.5
72.01721	1.1
72.99298	3.2
73.02946	2.0
80.06398	0.5
83.01398	2.5
85.02945	9.4
85.67478	0.5
87.00870	3.9
89.02437	84.3
90.02780	1.0
95.01375	3.4
99.00891	0.6
101.02432	31.4
102.02763	1.2
108.30592	0.6
113.02442	26.1
114.02785	0.9
119.03487	30.2
120.03886	0.7
125.02446	0.8
131.03487	4.7
132.40976	0.5
143.03476	7.1
149.04553	4.3
161.04535	8.9
162.04901	0.6
164.06841	0.5
179.05592	35.6
180.05872	0.9
192.08998	0.6
196.50461	0.5
289.47354	0.6
290.88361	0.5
331.69577	0.7
341.10840	48.5
342.11237	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13013	0.6
55.01884	0.8
56.35473	0.5
57.03442	1.5
58.00589	2.9
59.01374	100.0
59.95730	0.5
60.01703	1.6
69.58643	3.2
69.59039	1.2
71.01376	71.5
72.01721	1.1
72.99298	3.2
73.02946	2.0
80.06398	0.5
83.01398	2.5
85.02945	9.4
85.67478	0.5
87.00870	3.9
89.02437	84.3
90.02780	1.0
95.01375	3.4
99.00891	0.6
101.02432	31.4
102.02763	1.2
108.30592	0.6
113.02442	26.1
114.02785	0.9
119.03487	30.2
120.03886	0.7
125.02446	0.8
131.03487	4.7
132.40976	0.5
143.03476	7.1
149.04553	4.3
161.04535	8.9
162.04901	0.6
164.06841	0.5
179.05592	35.6
180.05872	0.9
192.08998	0.6
196.50461	0.5
289.47354	0.6
290.88361	0.5
331.69577	0.7
341.10840	48.5
342.11237	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01870	1.6
57.03442	1.4
57.52903	0.8
58.00587	3.4
59.01375	100.0
60.01710	1.1
61.98819	2.3
69.03452	0.9
69.95399	3.8
71.01378	69.5
72.01699	1.4
72.99317	4.1
73.02940	2.9
73.08819	0.8
73.14592	0.8
77.88084	0.8
79.09834	0.7
80.30918	0.9
83.01386	2.9
85.02946	10.4
87.00867	4.8
89.02439	90.9
90.02772	2.2
95.01398	3.9
96.95998	0.8
97.02951	1.2
99.00887	1.4
101.02435	33.7
101.03102	1.6
107.03462	0.8
113.02441	25.6
119.03492	28.4
125.02390	0.9
131.03487	5.6
143.03470	8.4
144.03857	0.8
149.04544	12.4
161.04541	10.7
179.05602	33.2
180.05949	1.1
205.75200	0.8
281.09137	1.0
281.12408	1.9
316.63013	1.0
332.63086	0.8
337.88715	0.8
341.10898	46.7
342.11115	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
55.01857	0.9
57.03439	1.1
58.00592	2.5
59.01376	100.0
60.01724	1.1
60.84185	0.8
69.03455	1.2
71.01376	44.5
72.01727	1.2
72.99322	0.9
73.02940	40.8
81.58876	0.7
83.01382	9.4
85.02937	10.8
87.00865	1.2
89.02437	22.3
93.03478	2.2
95.01386	3.5
98.20745	1.9
99.00895	2.3
101.02439	31.9
107.03535	0.8
107.05051	1.0
109.86021	0.7
113.02445	23.1
117.05500	0.7
119.03579	7.8
119.05017	45.9
120.05364	2.4
125.02429	1.6
131.03458	2.6
134.03780	1.6
135.04517	44.0
136.04890	2.2
137.02438	3.6
137.06090	2.2
138.05609	5.3
143.03532	2.4
149.04556	1.5
150.45749	0.7
155.03484	1.0
161.04584	5.2
179.03484	48.1
180.03860	3.1
224.98218	1.1
250.56653	1.0
281.10291	18.8
282.10690	2.1
299.11398	6.7
341.08636	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	341.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01068	5.4
59.01374	100.0
61.98798	3.9
70.30017	9.0
70.30393	6.1
71.01008	5.4
71.01380	73.5
72.99306	4.0
73.02958	3.9
85.02927	13.6
87.00854	5.0
87.81293	2.8
89.01930	6.1
89.02443	81.2
93.03431	6.3
95.01381	3.8
101.02438	40.5
101.40156	3.4
113.02452	31.0
119.03520	28.8
122.51965	3.0
131.03479	4.4
135.04520	45.2
136.83810	2.8
137.02428	5.6
141.98053	3.1
143.03452	9.7
148.88087	3.2
157.06149	5.3
161.04539	10.9
174.93208	3.1
178.08702	4.5
179.03456	43.3
179.05574	35.7
179.07034	4.8
179.09044	12.1
180.77739	3.1
191.04897	11.1
244.37093	3.0
334.27615	3.1
341.10919	45.3
342.11118	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	341.0878
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
55.01864	0.6
57.03436	0.9
58.00573	0.6
59.01378	33.4
63.02457	0.5
70.26948	1.1
70.27330	1.2
71.01382	16.6
73.02943	10.0
83.01395	3.5
85.02940	5.5
87.00885	1.2
89.02439	8.8
93.03461	8.2
95.01382	1.5
99.00912	1.3
101.02441	11.2
107.05021	1.7
113.02451	9.8
114.74999	0.6
119.03562	3.6
119.05022	15.0
121.39103	0.6
123.03225	1.1
131.03442	1.1
134.03743	3.8
135.04521	99.5
136.04880	4.5
137.01453	0.9
137.02451	12.1
137.06056	1.8
138.02785	0.9
138.05597	8.3
139.05655	0.5
143.03484	1.3
146.03737	1.7
149.04582	0.6
151.00369	1.3
161.04543	2.3
161.06017	0.9
179.03491	100.0
179.07011	2.4
180.03795	4.9
183.80231	0.5
193.05055	0.8
279.63382	0.6
281.10303	7.4
282.10208	0.6
299.11234	2.1
341.05130	1.1
341.08212	4.0
351.73294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
53.56063	0.5
55.01870	0.9
57.03474	0.5
58.00583	0.7
59.01374	28.1
62.77028	0.5
67.36491	0.4
69.03490	0.4
69.65295	2.0
71.01377	14.1
72.99305	0.5
73.02946	9.7
83.01391	2.3
85.02939	4.0
87.00870	0.6
89.02438	7.8
93.03450	5.9
95.01374	1.3
98.19923	0.8
99.00904	0.5
101.02435	9.1
107.05051	1.3
113.02430	6.3
114.05643	0.6
119.03533	3.2
119.05018	11.2
120.05453	0.5
126.02042	0.4
131.03473	1.1
133.02905	0.7
134.03751	2.8
135.04517	93.1
136.04843	4.4
137.02434	9.1
137.06058	0.7
138.05565	4.3
140.03510	0.6
143.03497	1.1
146.03644	0.6
149.04602	0.9
151.00417	0.8
155.35893	0.5
161.02460	1.5
161.04536	2.0
161.05780	0.5
179.03487	100.0
180.03819	4.3
193.04997	0.7
193.50804	0.5
227.13943	1.1
264.08612	0.5
281.10260	4.3
298.13013	0.5
299.11322	1.9
341.08636	14.6
341.12915	0.9
342.09018	1.5
360.30698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.84705	0.8
57.03437	0.9
58.00588	1.0
59.01373	41.7
62.34918	0.8
63.59000	0.7
66.72766	0.8
70.49816	2.5
70.50179	1.1
71.01376	33.8
73.02946	4.3
80.21034	0.9
85.02957	3.3
87.00885	4.5
88.35854	0.7
88.75179	0.9
89.02437	60.9
90.02763	1.2
95.01392	1.3
98.19951	0.9
101.02434	13.9
103.03976	1.4
105.29595	0.8
110.84771	0.8
113.02434	11.7
115.83382	0.7
119.03489	12.8
125.57732	0.8
131.03481	8.4
143.03477	2.6
149.04543	100.0
150.04880	3.6
161.04573	4.8
163.46001	0.8
179.05608	15.5
341.10855	21.6
342.11176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75424	0.5
59.01373	3.8
65.00300	0.5
65.27419	0.5
69.27861	2.4
69.28294	2.2
71.01373	2.2
73.02945	0.9
77.03971	0.7
79.01926	0.6
85.02964	0.8
89.02451	1.2
93.03455	56.7
94.03793	2.3
101.02436	1.2
103.33087	0.4
107.05016	1.7
113.02435	0.6
114.67707	0.5
117.03473	1.1
121.02950	5.6
123.45406	0.5
125.02436	1.0
133.02968	1.5
134.03763	0.9
135.04446	0.8
135.44299	0.5
137.02440	100.0
138.02777	4.0
149.02444	2.1
151.04010	15.1
158.06215	0.6
159.03259	0.7
161.02379	0.9
163.00374	1.6
165.01906	0.7
179.03473	14.0
179.05322	0.7
179.05656	0.7
193.01407	1.7
221.00720	0.7
255.03069	0.6
269.04544	1.8
281.04608	1.7
282.05460	0.8
283.06076	2.7
295.06091	1.2
297.03946	3.4
298.04791	18.8
299.05383	1.5
312.08875	1.2
313.06949	0.7
323.05585	2.2
326.04102	1.0
341.06680	29.0
341.10461	1.1
342.06967	3.0
342.13486	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	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.5
58.00571	0.6
59.01377	20.2
60.01725	0.8
61.98832	1.9
67.45502	0.7
68.13910	0.5
70.86048	0.6
71.01383	14.3
71.56213	1.1
72.40486	0.6
73.02942	4.7
75.00881	2.7
83.01384	2.2
85.02927	3.2
86.01809	0.6
87.00839	0.7
89.02442	8.6
89.03962	2.4
90.02780	0.8
93.03476	4.1
99.00913	1.0
101.02436	7.5
113.02435	5.4
114.98538	0.7
117.03462	8.8
119.03539	3.6
119.05016	3.0
121.03008	1.0
129.01924	6.5
133.03001	0.9
134.03735	87.2
135.03093	0.7
135.04016	4.0
137.02448	7.7
138.05611	5.7
147.03012	6.5
149.06068	6.5
151.00255	0.7
151.03954	1.2
152.45866	0.6
159.16444	0.6
161.04605	1.5
165.04015	4.0
169.63535	0.6
173.00923	0.6
175.03983	0.9
178.02687	3.3
179.03459	1.3
179.05559	3.7
182.36234	0.6
192.06456	0.6
193.05040	100.0
194.05373	4.8
206.99702	0.9
223.06404	0.7
266.31387	0.7
269.75949	0.7
278.04590	1.1
281.10162	1.1
282.09888	1.3
294.07758	3.4
299.11591	0.7
309.10016	2.7
312.12213	1.2
324.12436	0.9
327.14706	1.1
341.05527	1.2
341.08936	0.8
341.11249	1.2
342.13535	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
59.33338	0.4
69.82279	0.9
69.82723	1.3
90.95297	0.4
111.04112	0.4
117.95118	0.4
159.40099	0.4
163.11285	78.1
164.11612	2.8
183.12576	0.4
193.04599	0.4
230.85298	0.5
244.94385	0.5
252.37880	0.5
339.23251	100.0
340.23587	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	339.1235
Annotation	Dolichin B
Peak:m/z	Relative Intensity
52.07613	0.5
59.01376	0.8
65.03947	1.0
67.01884	0.8
71.15501	0.5
71.15834	0.5
79.05529	1.1
89.03969	0.6
91.05534	1.1
93.03477	0.6
95.05040	0.7
103.05547	2.4
104.93369	0.4
107.05037	1.3
108.02166	3.4
109.02959	4.9
113.92471	0.4
117.03445	1.3
121.02962	6.2
122.03751	1.8
123.04520	10.0
124.04874	0.4
133.02957	12.1
134.03242	0.6
135.04520	9.9
136.04889	0.5
137.06082	1.2
141.07121	0.6
145.02945	5.7
146.03683	1.0
147.04512	9.9
155.08667	0.5
159.04485	2.1
175.07616	1.4
179.08638	0.6
181.10178	1.4
183.04413	0.5
183.08205	0.8
185.06067	1.4
186.06837	0.7
187.07671	0.8
195.04562	0.8
196.05257	0.5
197.06084	0.6
197.09746	1.0
198.06889	0.5
199.07642	3.2
201.09203	1.0
205.08655	0.9
207.08136	0.8
209.06076	1.6
210.06830	2.9
211.03903	0.6
211.07358	0.5
212.04805	0.8
213.05547	1.2
223.07549	2.1
224.08403	0.9
225.05623	1.3
225.09171	5.5
226.06325	1.2
227.07014	2.4
241.08636	1.5
251.07115	2.7
253.05022	1.8
254.05827	27.2
255.06183	2.6
266.05746	0.7
267.06607	1.5
268.07391	1.5
269.08173	100.0
270.05606	0.9
270.08502	9.4
281.08112	1.3
282.72910	0.5
298.80396	0.5
306.08926	1.6
321.11310	12.4
322.11649	1.6
339.12332	36.2
340.12668	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	339.1232
Annotation	Obovaten
Peak:m/z	Relative Intensity
51.48465	0.7
59.01369	1.1
64.42429	0.7
65.71543	0.7
98.20708	1.4
111.10326	0.7
117.03432	0.9
121.04039	0.6
134.06134	1.6
144.33575	0.7
145.02969	3.4
154.76924	0.7
161.93851	0.7
163.04004	1.3
165.07140	0.8
179.07202	1.2
179.08604	0.9
191.08783	2.0
193.06683	1.3
207.08128	2.5
217.06551	2.0
218.07440	0.9
219.08131	2.7
221.06123	3.3
223.07735	1.5
225.05608	1.2
225.09183	1.1
226.20702	0.8
233.05986	1.3
234.06717	1.5
235.07564	6.6
236.08209	1.1
237.09207	2.1
239.07089	1.2
245.06104	2.4
246.06834	2.1
247.07628	3.0
251.07034	0.9
252.07831	1.1
253.05009	1.0
253.08698	5.0
262.06305	2.0
263.07101	20.2
264.07596	2.8
265.08649	1.4
268.10928	1.7
273.05688	0.9
275.07098	1.8
276.07776	1.0
280.07312	2.4
281.08157	30.9
282.08521	2.6
291.06616	8.7
292.07346	3.2
293.08173	8.5
294.08905	3.8
295.09695	1.0
296.10443	4.5
307.09885	3.7
308.10425	6.1
309.07672	100.0
309.10870	4.5
310.08051	10.5
323.09244	19.8
324.09995	61.3
325.10284	7.8
339.12338	72.3
340.12653	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	339.1233
Annotation	Dolichin B
Peak:m/z	Relative Intensity
54.17388	0.5
55.01892	0.7
59.01380	1.7
63.96204	0.5
65.03978	2.1
67.01879	0.9
71.15536	0.5
71.15863	0.9
72.11696	0.5
79.05539	1.2
80.02719	0.6
81.03477	0.8
81.84858	0.5
88.08292	0.5
88.98832	1.0
91.05529	0.9
93.03413	0.6
95.05065	1.3
97.02964	0.8
99.04514	0.9
103.05553	2.1
107.05037	1.8
108.02175	3.7
109.02953	6.9
117.03485	1.2
121.02952	10.0
122.03748	2.3
123.04517	12.1
124.48791	0.5
133.02959	29.8
134.03316	0.6
135.04518	25.8
136.04860	1.0
137.02354	0.6
137.06091	2.2
145.02933	4.3
146.03717	0.9
147.04510	13.7
148.04816	0.9
155.08665	0.9
159.04518	1.7
171.10335	0.8
175.07625	1.6
181.06581	0.5
181.10205	1.2
183.08107	0.8
185.06018	0.9
186.06876	0.6
187.07574	1.8
197.06041	0.5
199.07623	4.1
201.09415	0.6
205.08716	2.9
207.08133	0.7
209.06148	1.9
210.06892	2.7
212.04727	0.9
223.07613	2.5
225.05545	1.4
225.09204	4.5
226.06058	0.6
227.07118	2.1
235.13248	0.8
239.06830	0.6
241.08643	1.5
249.11055	2.0
251.07085	2.3
253.05049	1.6
253.14368	2.1
254.05814	18.3
255.06189	1.3
267.06619	1.7
268.07367	1.0
269.08167	100.0
270.08502	11.0
278.05780	0.7
306.08820	1.2
321.11316	13.3
321.16968	1.1
322.11658	0.9
339.12332	43.0
340.12662	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	339.072
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01378	1.8
65.00323	0.9
65.03957	1.1
67.01883	0.9
68.99797	0.4
69.40470	0.7
69.40873	2.2
71.01379	0.8
80.02676	0.5
81.26064	0.3
83.31614	0.3
91.01892	49.6
92.02222	1.9
108.02157	1.2
109.02948	14.2
110.03236	0.4
116.74915	0.3
121.02913	1.5
123.04510	0.6
133.02957	1.2
135.00880	100.0
136.01147	3.2
137.02438	3.2
149.02415	1.3
151.04042	0.3
153.01929	60.6
154.02289	2.2
161.02460	1.6
163.04010	0.6
175.04001	0.3
177.01901	1.3
189.01917	1.7
263.07117	1.0
279.05042	1.1
281.08145	1.1
291.06796	0.4
293.07944	0.5
297.06158	1.1
309.07672	3.9
310.07986	0.5
323.09195	0.9
324.09927	3.0
339.07202	32.0
339.12231	3.5
340.07581	2.7
340.12204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
58.00586	1.0
59.01376	100.0
60.01720	1.2
61.98820	1.4
69.50896	1.7
69.51302	3.3
71.01379	19.9
72.99320	1.0
73.02944	6.8
75.00854	1.0
79.68282	0.7
83.01397	2.0
85.02940	9.1
87.00849	0.9
89.02446	8.5
91.19004	0.7
95.01386	4.2
101.02434	12.1
113.02441	18.8
116.05051	5.4
119.03529	2.7
131.03485	1.8
143.03499	1.2
158.06058	5.2
165.09196	0.8
191.76762	0.6
213.36916	0.7
223.79362	0.8
309.07883	1.6
324.09967	1.3
332.52780	0.8
339.12338	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19843	0.7
52.91829	0.7
59.01378	7.9
69.03455	61.1
69.40177	0.7
69.50400	3.5
69.50811	1.7
70.03793	1.6
71.01395	1.2
79.01891	31.2
80.02238	1.3
81.03465	2.8
85.02957	4.0
93.03438	1.2
95.01381	11.2
95.13969	0.7
97.02947	33.9
98.03265	1.2
98.20641	1.0
107.01383	31.1
108.02178	16.8
109.02959	28.0
110.03312	0.9
111.59059	0.6
112.42263	0.7
113.02456	2.3
117.03500	0.7
121.02956	6.6
123.00876	14.5
123.04523	2.0
125.02446	28.5
126.02755	1.0
131.96011	0.7
133.02966	3.1
134.03813	0.9
134.06110	1.0
135.00801	1.6
135.04512	1.6
136.01649	2.8
137.02449	6.3
145.02928	0.9
147.24950	0.7
149.02443	12.2
150.02742	1.1
151.00366	15.6
152.00929	0.9
153.01929	100.0
154.02309	4.5
157.92703	0.7
161.02417	1.0
163.03990	2.6
167.03485	1.3
175.04007	1.5
177.01910	6.5
177.28377	0.7
179.03531	0.9
191.03511	1.2
195.02972	1.7
231.02962	0.9
256.04230	0.7
279.05078	24.1
280.05515	1.6
297.06122	37.3
298.06436	3.2
309.07617	0.9
339.07187	31.0
340.07498	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	337.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
59.44402	11.8
61.98819	12.7
70.51723	11.9
71.55881	26.3
87.04543	12.8
96.95991	14.1
136.49374	12.7
255.23259	55.6
337.18347	52.3
337.23849	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
55.40704	0.7
56.81121	0.7
57.03447	0.9
58.00589	1.5
59.01377	100.0
60.00100	0.7
63.75058	0.7
68.63533	0.7
69.03459	1.5
71.01380	30.9
72.44410	0.7
72.99326	1.2
73.02944	50.9
75.00873	0.9
81.03460	0.8
83.01382	10.5
85.02969	3.1
88.45247	0.7
89.02441	6.5
95.01408	1.7
97.02972	0.8
97.97432	0.7
101.02438	31.0
113.02448	10.0
116.05081	1.7
118.06622	1.1
119.03533	1.4
125.02433	1.2
131.03529	3.1
143.03506	1.1
155.03546	0.7
158.06071	0.7
161.04573	2.7
167.15511	0.9
167.37762	0.7
203.05597	1.1
207.08400	0.8
217.06554	0.8
235.07721	1.9
245.06311	0.8
253.08716	1.0
263.07059	3.3
281.08182	6.7
291.06647	1.5
293.08401	1.2
308.10568	1.9
309.07675	22.2
309.11267	1.5
323.09323	4.4
324.10007	14.5
339.12302	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	337.15
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53642	0.6
57.93079	0.7
59.01374	100.0
59.37171	0.7
60.01699	1.4
60.83974	0.6
69.98520	0.8
69.98788	3.3
70.29470	0.7
71.01370	0.8
83.52699	0.8
85.03020	0.6
93.03452	0.8
96.95995	1.1
123.70531	0.6
135.04520	0.9
136.04755	0.6
137.02490	0.9
149.05957	0.7
160.01605	0.6
174.01663	0.7
181.04010	1.3
198.76038	0.7
245.41289	0.7
288.37164	0.7
295.67166	0.8
302.99051	0.6
337.08041	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	337.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.39709	0.8
58.00596	2.4
58.02956	1.1
59.01377	77.9
69.82520	4.5
71.01379	36.3
71.01778	1.8
72.99304	2.3
73.02939	2.2
83.01410	1.8
83.15193	0.7
85.02945	7.0
87.00854	1.2
89.02438	41.1
95.01382	2.7
96.96001	3.0
99.00830	0.9
101.02435	22.7
113.02449	14.0
119.03495	18.5
122.03740	7.3
122.58589	0.9
124.01706	1.3
124.04032	2.0
127.05119	3.5
128.03517	1.1
131.03502	1.9
132.94769	0.8
133.96046	0.8
134.03639	1.3
136.04010	1.4
141.51103	0.8
143.03477	1.4
145.06177	0.8
152.66972	0.7
161.04536	1.3
175.09746	1.3
179.05562	2.7
191.05577	4.0
230.03473	1.1
263.10397	2.7
277.11823	4.3
295.12988	1.6
337.14981	100.0
338.15363	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	337.108
Annotation	Crotalarin
Peak:m/z	Relative Intensity
50.16442	0.2
63.82240	0.2
69.74646	1.1
74.60780	0.2
92.37267	0.2
97.63357	0.2
120.02161	0.3
123.04477	0.2
131.08672	0.4
132.02142	0.3
133.02934	1.0
133.06552	0.4
135.04463	0.3
147.00883	0.4
148.01651	0.3
159.04459	0.3
161.02400	0.5
173.06091	0.2
175.07622	0.9
187.04102	0.2
189.01854	1.1
198.06848	1.0
201.05623	0.5
209.05933	0.6
211.04126	0.2
212.04912	0.4
213.05507	0.6
218.40137	0.2
220.05225	0.2
224.04767	0.2
225.05588	3.0
226.06265	2.5
227.06754	0.3
237.05542	1.5
238.06169	0.6
240.04135	0.3
253.05063	5.4
254.05554	1.3
265.05054	1.0
281.04553	3.3
282.05295	12.3
283.05701	1.3
286.04819	0.2
314.04291	19.0
315.04681	1.9
321.07620	0.7
322.08478	0.4
337.10779	100.0
338.11127	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.108
Annotation	Vismiaguianin A
Peak:m/z	Relative Intensity
59.01385	0.4
68.99900	0.2
70.62863	0.8
95.31254	0.2
99.69136	0.3
131.08618	0.3
133.02962	0.6
135.04483	0.4
136.01653	0.3
159.04437	0.4
160.05164	0.3
161.02426	0.7
173.06053	0.3
175.07632	1.0
181.06584	0.3
189.01910	0.9
198.06877	1.1
201.05559	0.4
209.06064	0.9
210.06609	0.3
211.03897	0.4
213.05495	0.6
225.05553	2.7
226.06316	3.0
237.05594	1.3
238.06288	0.8
240.04242	0.2
253.05035	4.7
254.05692	1.2
265.04974	0.9
281.04495	4.0
282.05292	12.9
283.05566	0.9
309.11526	0.4
314.04297	18.4
315.04648	1.9
321.07687	0.5
322.08582	0.5
337.10785	100.0
338.11121	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	337.0926
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03413	0.3
59.01370	2.6
60.99298	0.3
61.98827	1.6
67.01913	0.6
69.03433	0.3
69.88667	1.1
71.01373	1.1
75.26514	0.2
81.03421	0.4
83.05046	0.5
83.64798	0.2
85.02938	7.2
87.00873	1.7
93.03450	3.9
99.00874	0.5
101.02422	0.3
109.02914	0.6
111.04499	1.3
119.04261	0.2
119.04994	1.4
127.04015	1.7
130.08730	0.2
145.02962	0.8
155.03468	0.3
158.60300	0.2
163.04002	1.7
163.05173	0.3
173.04535	1.7
191.05592	100.0
192.05916	4.2
337.09531	3.1
338.09171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09156	0.6
59.01369	1.5
61.98816	0.9
67.05506	0.8
69.03437	0.5
69.19068	5.8
85.02955	0.7
85.06590	50.0
86.06944	1.0
87.04522	3.1
93.03451	0.6
99.04536	3.2
99.89413	0.6
101.06080	83.4
102.06431	2.6
111.04511	0.8
115.04005	0.6
119.05025	65.6
119.10725	0.6
120.05386	3.3
129.05582	35.9
130.05974	1.3
145.05051	6.5
163.04008	100.0
164.04323	5.2
173.04533	1.1
173.95877	0.6
201.37227	0.6
337.03687	0.9
337.09103	1.0
349.06537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
55.37741	0.5
55.38018	0.6
57.03440	0.5
57.35835	0.5
58.46405	0.5
59.01366	2.5
60.09439	0.6
60.67950	0.5
67.05529	1.6
68.30260	0.5
69.03458	1.2
69.30201	5.0
70.04510	0.5
72.99296	2.1
77.52593	0.5
79.36209	0.5
83.05013	0.6
85.02946	0.8
85.06587	33.7
86.06926	1.0
87.04500	4.6
99.04512	5.0
101.06077	100.0
102.06423	2.4
111.04558	0.7
115.04015	9.3
117.03483	0.7
118.73507	0.6
119.05023	77.6
120.05352	3.3
129.05574	32.0
130.05894	1.1
145.02953	0.8
145.05066	10.6
146.05415	0.6
147.06694	0.7
150.16827	0.6
163.04001	74.0
164.04405	4.4
173.04562	1.5
191.05600	54.2
192.05948	3.4
232.40680	0.5
268.42014	0.6
277.74347	0.7
307.83463	0.6
337.08875	0.5
348.55774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03437	0.6
59.01379	1.9
68.99822	2.7
69.03439	0.8
70.35462	0.7
71.01370	2.0
72.99313	0.4
73.02926	1.5
75.00860	1.2
83.01376	1.4
83.26278	0.3
85.02940	4.6
87.00862	2.0
89.02402	0.3
95.01382	1.4
96.99290	0.6
97.02958	0.3
99.00871	4.1
101.02456	2.2
105.90392	0.4
110.98543	0.4
111.00877	1.7
111.02000	0.6
113.02443	6.1
113.99577	15.4
115.00389	6.1
125.02386	0.4
127.00388	2.4
129.01932	2.7
131.03479	0.3
133.58810	0.3
139.00330	0.5
141.01939	0.8
157.01396	4.6
161.56630	0.3
169.01434	1.4
174.01680	16.9
175.02403	1.9
217.61032	0.3
277.05609	17.2
278.05927	1.1
337.07733	100.0
338.08047	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	337.0774
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
59.01370	3.0
68.99814	3.0
69.58318	1.3
69.58726	3.1
71.01391	5.8
72.99304	1.0
73.02939	3.3
75.00880	0.8
83.00622	0.8
83.01379	1.7
85.02942	5.7
87.00862	3.1
89.02450	14.3
95.01371	1.2
98.20636	0.9
99.00872	4.6
99.75121	0.7
101.02437	1.5
107.88629	0.9
111.00877	2.1
113.02440	4.9
113.99577	16.2
115.00384	5.6
127.00360	3.2
129.01950	2.0
131.03491	3.6
133.88855	0.8
135.08633	0.8
141.01970	0.9
149.04559	49.2
150.04924	0.9
157.01437	4.4
165.04031	1.0
169.01501	1.5
174.01703	14.7
175.02330	1.6
277.05634	14.7
278.05991	0.8
337.07764	100.0
338.08044	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	335.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	62.3
61.80886	1.8
70.13250	2.2
98.19906	4.1
99.00638	14.4
148.06342	1.8
170.87744	2.1
253.21706	100.0
254.22015	13.7
318.21188	2.3
335.22003	98.9
336.22427	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	337.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01372	3.2
68.99827	3.3
69.03443	0.8
69.80029	0.9
69.80379	2.3
71.01380	3.4
72.99277	0.6
73.02944	1.3
75.00868	1.3
75.71626	0.4
81.03473	0.4
83.01382	1.6
85.02950	6.2
87.00883	2.3
89.02443	3.0
91.28114	0.4
95.01380	1.5
97.02927	0.6
98.19919	0.9
99.00874	5.8
101.02439	1.7
102.05604	0.9
111.00876	1.6
112.98749	0.6
113.02442	6.6
113.38587	0.5
113.99585	17.4
115.00391	6.5
127.00387	2.6
128.03503	0.7
129.01935	2.4
129.10089	0.5
131.03459	0.6
137.02505	0.5
139.00401	1.0
141.01935	0.5
144.02885	0.5
145.01421	0.6
146.04587	1.5
149.04558	5.7
157.01402	4.2
165.04074	0.5
169.01358	1.1
174.01688	16.7
175.02299	1.8
219.79132	0.5
221.77872	0.4
277.05627	18.9
278.05887	1.4
337.07745	100.0
338.08017	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	335.09
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36526	1.4
59.01377	7.8
63.89227	1.4
70.78760	4.2
71.01373	5.0
73.41568	1.5
81.66932	1.2
85.02930	2.3
85.15099	1.4
89.02448	1.9
93.03451	38.3
101.02466	3.2
111.08138	1.6
113.02448	2.0
137.02440	100.0
138.02785	3.3
290.80481	1.7
299.07751	10.9
335.09119	1.8
335.13126	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	335.0924
Annotation	Dulciol D
Peak:m/z	Relative Intensity
59.01383	0.4
59.82486	0.4
70.05701	1.4
71.24599	0.3
77.25625	0.4
85.67334	0.4
93.03436	1.3
96.96006	1.4
107.04996	0.4
117.03456	5.7
119.05009	1.4
123.04474	1.1
129.07124	0.5
131.05000	1.3
133.02916	0.8
143.04955	0.4
145.02917	0.4
155.05081	0.6
157.06598	0.6
159.04442	0.7
171.04527	0.7
172.05325	0.6
173.06073	6.7
187.07684	0.6
197.06012	0.5
199.03992	1.8
208.05284	0.5
211.03975	0.5
213.05551	0.8
214.06392	0.7
215.03506	1.9
217.04869	0.4
219.08151	0.4
224.04829	0.6
227.03406	2.6
228.04066	0.5
241.05031	1.2
242.05756	0.9
245.09546	0.5
251.03572	0.4
252.04115	0.5
263.07175	0.5
264.04349	0.4
264.07602	0.7
273.09180	0.9
274.06088	0.4
275.07022	2.0
276.07837	0.8
277.05066	0.9
279.10229	1.5
280.03745	6.2
281.04147	0.5
289.08609	0.6
291.06607	1.3
291.10162	2.0
292.03802	1.9
292.07175	0.7
293.08221	0.5
305.04526	1.9
307.09692	0.9
309.13065	0.5
317.08151	1.8
319.05957	2.1
320.06848	1.9
335.09219	100.0
336.09567	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	335.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06577	0.6
59.01376	1.5
61.98827	7.4
76.52311	0.5
80.05055	4.8
92.05059	2.2
93.03459	1.1
94.06618	14.5
97.01671	0.6
98.20678	1.0
107.03766	1.6
108.04546	17.2
109.05367	1.1
110.06102	3.0
111.04542	1.2
120.04557	7.5
122.02464	5.2
122.06133	3.4
124.04063	0.9
124.07681	5.1
133.02982	1.1
135.04523	12.7
136.04041	1.6
138.05602	8.2
148.04057	5.5
149.02325	0.5
150.05591	6.9
152.07138	1.1
154.05051	0.9
161.02405	3.1
166.05080	89.2
167.05437	3.7
179.03484	9.9
182.04552	2.2
194.04535	5.3
203.28952	0.6
210.04060	100.0
211.04414	5.4
215.11926	1.6
244.73654	0.5
273.12311	0.7
296.87329	0.5
307.06039	0.7
317.11478	2.0
335.07690	3.8
335.12466	17.2
336.12839	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0772
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
57.03469	0.8
59.01382	2.3
61.98819	2.8
70.24178	2.5
71.01385	0.7
73.02962	1.7
80.58758	0.6
81.03445	1.0
83.05022	2.4
93.03463	13.6
94.03791	0.7
99.00932	1.0
107.05057	1.7
111.04507	3.1
121.87569	0.6
123.86548	0.7
133.02957	6.4
134.03772	6.0
135.04526	100.0
136.04846	4.0
137.02464	5.8
155.03522	1.5
161.02446	22.8
162.02745	1.1
173.04564	1.9
179.03493	84.1
180.03815	4.9
180.07019	0.6
335.07736	32.9
336.08167	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	335.0771
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01356	1.7
61.98827	11.8
63.35946	0.3
71.56670	0.5
73.02934	1.3
80.05055	0.4
81.03472	0.8
83.05034	1.9
91.05524	0.6
93.02861	0.6
93.03449	11.2
94.03742	0.5
94.06628	0.9
96.95980	0.4
107.05011	1.5
108.04527	1.6
109.02934	0.8
111.04514	3.6
120.04539	0.7
122.02474	0.7
124.07686	0.6
133.02956	7.3
134.03761	5.0
135.04517	100.0
136.04861	4.6
137.02417	5.2
138.05553	0.4
148.04039	1.1
150.05576	0.5
155.03464	1.9
161.02431	23.4
162.02682	1.1
163.89276	0.4
166.05063	6.9
167.05450	0.5
173.04512	2.0
179.03482	81.5
180.03801	4.2
210.04044	7.2
227.89279	0.5
228.40683	0.4
291.08713	0.6
335.07761	30.8
335.12201	2.0
335.16776	1.2
336.08176	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	333.1917
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
57.03455	4.2
59.01378	15.8
64.34264	0.7
68.99813	1.6
71.01378	35.1
72.99309	5.6
73.02930	1.3
74.48826	0.7
75.00866	24.3
83.01382	6.0
85.02946	20.2
86.00086	5.9
87.00869	8.0
89.02437	4.4
92.71947	0.7
95.01408	5.8
97.02983	0.7
98.20744	1.3
99.00886	6.4
101.02419	1.0
103.00364	1.4
111.00866	1.2
112.01706	0.9
113.02442	13.2
114.04336	0.7
115.00352	1.7
117.01926	1.5
129.01901	1.7
130.99788	1.0
134.93959	0.7
155.14404	1.6
157.01591	0.9
175.02435	1.2
199.16991	1.2
199.42311	0.7
227.16486	1.9
230.18208	0.7
273.17044	2.3
285.22369	0.8
315.18146	2.9
333.19159	100.0
334.19479	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	333.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96463	0.4
55.01860	0.7
58.55416	0.4
59.01376	100.0
59.16465	0.5
60.01721	1.3
61.98833	0.7
63.36860	0.4
64.82204	0.4
65.76394	0.5
69.27305	3.7
71.01377	4.7
73.02959	2.4
83.01414	1.2
84.56438	0.4
85.02939	2.6
89.02457	0.7
99.00862	0.6
101.02436	4.2
113.02468	1.9
136.04008	0.5
137.76923	0.5
141.82245	0.5
161.04611	1.6
168.92436	0.5
285.52350	0.5
291.18204	4.1
292.18515	0.6
334.11844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27389	0.4
52.05042	0.5
54.40680	0.5
59.01375	1.1
61.90573	0.4
61.98828	100.0
62.97287	0.4
66.09197	0.4
69.97216	2.0
88.37062	0.4
93.03459	2.2
97.08102	0.5
98.19843	0.5
98.21017	0.5
111.04529	1.2
116.26841	0.5
133.03001	2.3
134.03734	0.5
135.04524	6.4
137.02457	1.1
161.02437	5.3
174.01720	1.7
179.03485	6.3
193.18544	0.4
225.26210	0.5
273.12494	0.5
291.08759	0.5
335.08026	2.9
335.20850	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	14.2
59.01352	2.1
70.04375	2.1
71.01386	2.9
72.99256	0.6
73.02950	8.1
75.00861	2.4
85.02946	3.6
89.02426	1.9
94.71357	0.4
96.95996	0.9
101.02484	2.8
119.03465	0.8
129.01941	23.4
136.37753	0.5
137.09726	3.0
147.02986	19.5
149.09755	0.8
153.36993	0.4
155.10780	17.6
155.12059	1.0
156.11107	0.8
167.10768	8.6
185.11816	100.0
186.12157	6.1
197.11957	0.6
199.09741	0.5
215.12741	0.5
217.10840	0.6
245.18761	0.5
273.13394	0.9
291.14410	1.7
333.15594	19.8
333.19092	1.2
334.15991	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99573	0.7
57.73808	0.7
59.01376	100.0
60.01718	1.4
61.60882	0.7
68.91192	0.8
71.01378	2.8
73.02939	1.3
83.01422	0.8
85.02966	2.4
96.96024	1.4
99.00920	0.8
101.02465	2.8
133.48714	0.8
145.74525	0.7
161.04599	0.8
213.16359	0.8
224.44806	0.8
249.11188	1.4
291.18082	4.1
291.39139	0.7
333.20801	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16107	0.6
60.78452	0.5
70.56577	1.2
70.56949	1.2
78.03485	0.7
79.61407	0.6
92.05055	2.7
94.06610	4.4
104.05035	2.6
105.03468	2.2
106.06619	13.7
107.03794	0.7
108.04527	1.7
120.04547	6.8
121.05310	1.4
122.06113	14.2
123.03250	2.1
131.03807	1.1
132.04556	8.0
135.03244	0.8
138.05605	24.3
139.05940	1.4
148.04002	0.9
150.05591	3.2
158.15117	0.6
166.05009	1.0
178.41547	0.5
187.01570	0.6
189.07823	0.9
200.45274	0.6
213.06668	0.7
215.11810	1.6
217.07404	1.6
231.11334	1.2
241.09738	3.2
243.11356	1.4
271.10825	1.1
289.11920	100.0
290.12210	6.9
333.10846	9.9
334.11200	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	333.0587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
71.55604	0.7
78.95898	91.8
95.01355	0.6
96.11421	0.6
96.96956	19.9
103.92045	0.7
150.98036	1.6
152.99574	75.6
153.99889	1.3
159.02962	1.8
163.12186	0.6
170.99466	0.7
171.00653	8.4
171.02908	1.4
205.77689	0.7
223.00114	1.1
241.01172	38.8
242.01558	1.5
259.02155	2.0
305.69553	0.7
333.05862	100.0
334.06155	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	333.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68428	0.9
59.01376	2.5
59.33733	1.0
80.02662	1.6
84.96349	1.0
106.63180	1.1
108.02163	36.0
123.04520	27.6
124.01656	36.5
152.01134	2.9
167.03479	100.0
168.00633	20.9
168.03789	4.4
183.02969	82.1
184.03259	3.3
220.88930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89312	2.8
54.27358	2.5
55.01840	2.9
56.58685	2.3
59.01366	12.4
61.98838	4.5
64.32491	2.5
67.20306	3.0
71.01380	2.9
71.56384	3.7
75.00858	7.1
78.95900	4.6
81.07784	2.8
94.75907	2.4
96.95987	4.7
101.02456	2.7
106.06618	100.0
107.06960	4.1
112.04019	16.1
116.05043	2.5
119.05018	3.2
132.04483	2.5
132.08189	3.9
134.06102	4.0
138.01956	8.6
138.05600	26.6
143.07382	6.7
150.05586	41.7
154.05043	3.9
156.08182	13.8
158.09760	30.4
168.08125	5.8
169.08902	6.0
171.10287	5.3
172.07600	3.5
174.09207	7.8
184.11295	15.9
187.06396	37.5
188.06726	2.7
194.04572	11.7
200.10799	3.8
202.08707	77.8
203.09091	6.6
212.05826	5.6
213.07880	15.6
216.62149	2.9
225.10448	3.2
227.08176	27.1
228.10263	80.8
229.10454	8.0
238.07355	9.4
245.09286	56.2
246.07674	12.4
253.09775	54.9
254.10289	3.3
256.08469	3.8
271.10834	22.0
272.09219	32.9
289.08221	9.1
289.11661	6.4
294.84589	2.7
297.08820	3.2
302.23285	3.1
315.09860	23.4
333.06305	4.4
333.10779	62.5
333.14645	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	331.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92368	0.3
55.01873	0.4
57.03444	0.7
58.00611	0.3
59.01377	100.0
60.01717	1.2
69.52746	1.1
69.53173	1.0
71.01382	6.2
73.02948	2.3
78.10712	0.3
83.01394	1.0
85.02949	3.4
87.00831	0.3
89.02461	0.5
95.01398	0.3
99.00880	1.0
101.02435	3.8
113.02440	2.5
152.66258	0.3
159.03040	0.6
161.04555	2.9
248.10718	0.3
268.25943	0.3
289.16547	2.5
322.98306	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01736	1.0
60.83854	0.5
61.98831	2.2
69.50866	3.5
69.51199	0.5
71.01370	5.3
73.02943	4.5
79.46088	0.5
83.01398	1.0
85.02968	1.2
87.00925	0.4
89.02447	3.4
101.02433	3.9
104.92696	0.5
113.02463	1.9
119.03533	1.2
131.03526	0.6
152.38860	0.6
193.77605	0.6
213.15103	0.8
235.40645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0593
Annotation	GroPIns
Peak:m/z	Relative Intensity
62.96409	0.7
68.30756	0.4
70.87722	1.0
78.95901	100.0
80.98558	0.4
91.42273	0.4
96.96960	18.2
97.38566	0.5
136.18144	0.5
149.17676	0.4
150.98021	1.4
152.99582	81.4
153.99933	1.6
171.00627	8.2
172.00969	0.5
187.12947	0.4
201.27365	0.4
223.00214	0.9
241.01189	38.4
242.01469	1.5
245.37610	0.4
259.02261	2.1
333.05896	99.7
334.06223	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	331.1186
Annotation	Coluteol
Peak:m/z	Relative Intensity
50.64613	0.5
51.26679	0.4
54.11558	0.4
55.06882	0.4
59.01375	2.6
61.98807	0.6
71.49031	0.4
71.58484	0.4
77.25881	0.4
87.00867	0.8
95.01392	1.6
95.70844	0.4
96.02191	0.5
108.02160	3.0
109.02948	1.4
111.00864	1.3
121.02946	1.0
122.03734	2.6
123.00879	9.4
123.04529	3.3
124.01648	4.7
125.02415	0.7
133.02994	0.5
134.03731	5.3
136.01640	3.1
137.02440	12.4
139.00366	1.7
149.02434	2.1
149.06068	19.6
150.03227	4.6
150.06387	0.8
150.99402	0.4
151.00356	27.2
152.01140	100.0
153.01485	3.9
154.02702	0.7
162.82573	0.5
163.03995	1.1
164.01143	4.6
165.01924	26.0
166.02713	5.8
167.03481	100.0
168.03818	4.9
177.01929	2.3
178.02699	6.8
179.03505	5.4
180.04300	2.0
181.05052	26.4
182.05304	1.0
192.68210	0.4
193.05061	5.2
195.06581	3.2
204.06636	0.5
234.55161	0.4
237.63643	0.4
257.50211	0.5
273.07761	0.5
286.04825	0.8
299.05859	0.5
301.07153	12.9
302.07385	0.9
316.09473	22.6
317.09723	2.3
331.11838	61.1
332.12201	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	331.0822
Annotation	Drimiopsin B
Peak:m/z	Relative Intensity
59.01373	6.8
65.00309	5.9
68.99825	2.7
70.68722	2.5
72.99326	2.0
80.35190	0.9
91.41444	1.0
95.01382	3.6
96.99310	1.2
97.86098	1.1
108.02158	3.3
110.00092	59.6
111.00963	1.9
112.56058	1.0
123.00858	3.4
123.04511	2.8
124.01656	5.9
124.98783	2.0
134.03738	16.2
135.04532	9.9
136.98807	4.3
137.02405	1.3
137.99573	16.0
139.00354	13.5
141.99074	3.5
149.06079	10.2
151.00339	1.6
152.01094	6.8
156.00661	1.4
164.98253	5.3
165.99062	66.3
166.99843	17.4
175.03976	0.9
178.99829	4.4
180.00638	12.8
181.01416	11.8
192.00682	2.1
193.01378	1.2
207.02881	2.1
220.42241	1.0
245.04614	1.8
273.04025	1.2
280.49484	0.9
287.05661	1.1
288.06296	2.1
298.04630	1.0
301.03488	2.9
316.05859	79.5
317.06250	7.6
331.08200	100.0
332.08569	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	331.1033
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.03435	0.5
59.01377	1.0
69.77232	2.3
71.01388	1.7
82.00596	0.7
85.02946	2.2
95.01405	0.4
96.95989	0.5
99.00867	0.5
101.02440	1.1
110.00087	6.2
113.02446	2.5
123.00882	0.7
123.04522	1.8
124.01610	0.9
125.02435	6.3
133.65552	0.4
137.02400	0.8
137.99580	7.5
138.03154	0.5
139.00423	2.0
140.01129	0.8
151.00388	0.8
151.04022	1.1
152.01138	3.4
153.01924	100.0
154.02417	4.3
155.03476	2.1
161.04546	0.7
166.02634	0.6
167.02148	0.8
167.03479	9.9
168.04263	51.0
169.01440	1.2
169.05049	10.4
170.05472	0.6
179.03561	0.5
179.23657	0.4
181.05078	0.6
191.03452	0.9
194.02214	0.6
209.04509	1.3
211.06075	0.8
277.27222	0.4
299.07642	0.5
331.06708	0.9
331.10278	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	330.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05617	1.0
66.03477	1.1
70.00948	4.3
82.08395	1.1
93.03461	3.7
111.17689	0.9
116.05057	12.8
118.06437	1.0
121.02898	1.0
122.03735	8.9
123.03979	7.2
124.04871	2.6
125.02470	3.2
130.01941	1.1
140.05069	4.7
142.06683	1.7
151.00372	3.0
153.05812	1.6
154.06537	1.1
160.43066	1.2
165.05658	1.3
166.06610	3.3
168.08191	17.1
169.01443	1.2
179.07445	7.7
180.05724	2.7
180.08177	23.1
181.05261	1.8
181.08569	1.9
192.08174	13.2
193.08548	1.5
194.06108	4.7
194.09740	11.2
196.07635	4.4
204.08223	6.6
206.06111	13.3
207.06857	7.4
212.07149	1.1
220.07701	8.4
221.08420	3.1
222.09219	100.0
223.09563	9.2
233.33286	1.1
238.08705	2.3
239.09517	2.8
254.11852	51.4
255.09091	2.3
255.12172	5.1
270.11484	1.7
298.10974	1.3
330.04929	2.2
330.09299	2.1
330.13394	19.8
331.06625	5.8
331.13885	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	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01373	2.9
60.59782	0.7
69.03440	2.6
69.48828	2.2
69.49255	2.3
71.01382	1.4
73.48289	0.8
79.01888	1.5
83.01376	2.0
85.02933	1.3
95.01380	1.1
97.02943	2.5
107.01394	1.9
107.87784	0.7
108.02197	0.7
109.03025	0.8
110.00118	1.5
121.03027	0.6
123.00893	3.7
123.04512	2.3
124.01662	13.7
125.02444	74.3
126.02785	2.2
137.02362	0.9
137.99568	2.6
139.00392	1.0
139.04034	0.9
149.99577	26.5
151.00392	3.6
151.04036	0.8
153.01932	25.2
154.02602	0.9
167.03484	3.5
168.00641	58.9
168.04276	13.1
169.01419	28.2
169.05096	3.6
170.01756	1.1
184.06186	1.2
189.14304	0.6
189.77434	0.7
193.01369	1.2
207.08612	0.7
313.05597	6.8
325.86526	0.6
331.06696	100.0
332.07028	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	330.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04010	0.6
54.47302	0.5
59.01378	1.6
61.98829	17.8
65.99848	1.1
66.03469	2.9
68.01405	5.5
68.99813	11.1
69.03441	1.0
70.01199	3.0
70.02950	1.5
71.01377	1.7
79.45477	0.7
82.02988	3.4
82.66872	0.6
83.00132	0.9
83.01395	2.0
84.00914	2.3
87.00872	1.7
89.02458	1.3
91.95226	0.6
94.02979	4.9
96.00925	4.0
96.04548	3.8
96.99303	8.9
97.02966	1.3
98.02436	1.5
99.00867	6.6
101.02460	0.6
108.66888	0.5
109.01685	0.7
110.02469	7.2
112.00408	11.3
112.04025	1.1
113.02461	0.9
122.02465	3.6
124.00392	13.8
124.04028	4.4
125.01166	1.7
126.01976	7.2
127.00358	5.4
136.03938	0.7
137.02487	0.7
137.08247	0.7
138.01971	12.7
140.03526	9.7
150.05606	1.0
151.99889	1.7
152.03520	2.0
154.01485	0.9
157.01382	2.6
159.02992	3.8
166.01462	3.7
167.01982	0.6
168.03009	20.8
169.01407	0.6
169.03421	0.9
172.02715	0.6
176.41029	0.6
182.00897	0.9
184.02516	9.9
186.04073	14.4
193.01378	1.6
196.02496	2.7
198.04080	7.7
199.04439	0.8
210.00412	2.1
211.02382	3.5
226.03586	7.6
230.02982	1.5
242.03052	5.8
270.02524	23.5
270.05435	1.2
271.02847	1.4
330.04639	100.0
331.04785	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	330.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.97990	0.7
59.01372	1.4
61.04373	0.6
61.98824	5.5
65.99835	1.8
66.03473	1.4
66.16370	0.7
67.01867	1.3
68.01402	6.1
68.99814	12.1
69.78345	0.7
70.02982	1.1
71.01369	1.5
71.55455	1.0
81.67548	0.8
82.02988	4.1
83.01382	3.0
83.69076	0.7
84.00898	2.2
85.02949	1.3
87.00866	1.5
89.02447	1.6
94.02975	3.6
96.00925	3.6
96.04544	3.3
96.99301	8.9
97.02940	1.2
98.02486	2.2
99.00891	8.0
110.02466	7.0
112.00410	12.0
112.04035	1.6
113.02409	1.0
117.07455	0.8
122.02457	3.1
122.03751	2.7
123.04076	2.2
124.00395	15.9
124.04022	4.0
125.01222	0.7
125.02430	4.2
126.01948	7.6
127.00394	3.9
129.02020	1.0
138.01956	10.2
140.03535	7.6
149.04547	2.2
150.01947	1.0
150.04845	0.9
151.00362	1.6
151.99883	1.2
152.03503	2.3
157.01439	1.6
159.02962	2.9
166.01418	3.2
168.00618	2.2
168.03001	19.8
169.01413	2.5
169.03256	0.8
180.08180	1.0
182.00850	1.1
184.02515	8.6
186.04054	13.9
187.04553	1.1
193.01419	2.6
196.02495	2.7
198.04085	7.8
210.00412	1.4
211.02545	4.6
213.39867	0.8
222.09131	2.5
226.03505	3.5
230.02896	1.2
241.03516	1.4
242.03043	3.6
254.11966	1.5
270.02527	22.3
271.02856	1.4
323.16901	0.8
330.04630	100.0
331.05368	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	329.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01713	0.9
66.23100	0.5
69.31529	0.9
69.31940	2.6
80.24035	0.4
81.32291	0.4
156.34479	0.4
207.13838	1.1
209.11850	1.9
225.14946	83.7
226.15303	6.4
227.12927	0.9
251.12869	0.5
269.13922	15.2
270.14279	1.3
287.15036	1.3
329.16040	8.4
330.16367	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	329.233
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03432	1.4
59.01373	0.6
60.69201	0.5
65.07195	0.6
70.80715	0.5
71.02002	0.9
83.05005	0.6
98.20583	0.6
99.08143	6.1
125.09689	2.0
127.11272	4.4
136.13152	0.6
139.11290	6.5
155.14380	1.4
167.14417	1.0
171.10262	16.2
172.10590	1.2
183.13875	5.0
193.12349	1.6
209.11696	1.1
211.13388	25.1
211.15436	1.3
212.13713	1.6
229.14417	15.3
237.70688	0.5
249.66154	0.5
293.21201	1.2
311.22336	1.3
329.23288	100.0
330.23627	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	329.233
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
58.00587	1.5
59.01381	6.3
61.98822	0.8
70.43738	1.3
77.22661	0.4
83.05000	0.4
94.25428	0.4
96.96017	0.5
97.06599	0.4
98.20644	0.5
98.84095	0.4
99.08156	8.9
100.56846	0.4
112.55007	0.4
122.03689	0.6
127.07621	1.4
129.09210	8.5
130.09511	0.5
138.03130	0.6
139.11305	0.5
153.05595	0.9
153.12830	0.5
155.14455	0.4
157.40648	0.5
161.04767	0.8
162.05446	0.9
163.05882	0.6
167.14447	0.4
169.12303	4.9
171.10271	1.4
173.40741	0.4
181.12331	4.5
183.13919	2.1
193.12318	1.6
194.12646	0.5
197.11812	2.4
199.13383	21.4
200.13721	1.6
211.13385	12.1
211.16747	1.9
212.13687	1.0
227.12856	2.0
229.14424	1.4
275.20071	0.8
293.21210	2.2
311.22159	1.5
314.04553	0.7
319.76599	0.4
329.23297	100.0
330.23663	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	329.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00706	1.4
59.01378	32.9
65.00290	6.2
67.01852	5.3
68.99794	1.5
69.03466	2.0
70.46423	3.6
70.46767	2.4
71.01340	3.8
73.02914	1.5
74.02467	21.0
74.02863	2.8
75.02773	2.1
81.02706	1.6
81.17978	1.7
83.01382	68.3
83.04963	4.8
85.02918	2.5
85.15375	1.6
89.02390	1.9
93.31325	1.8
97.02895	4.4
101.02349	1.8
111.19694	1.7
117.03377	1.6
121.02870	4.3
123.04465	2.7
125.09651	3.2
133.02933	9.1
137.02458	1.8
149.99507	3.2
152.07109	2.0
160.03928	2.4
161.02400	3.2
161.04697	5.7
162.05324	5.2
162.96426	1.7
163.00258	4.1
163.05847	3.3
165.01932	8.2
165.03040	2.1
165.12718	5.0
166.74753	1.4
171.10254	25.9
175.11125	2.1
183.13884	9.2
185.11642	2.8
193.12303	31.0
194.12558	2.9
205.03659	2.5
211.13368	100.0
212.13713	7.7
223.15208	3.1
225.14943	2.6
227.03369	3.0
227.12637	6.0
237.11069	5.4
241.16159	2.1
249.46716	1.7
253.04807	2.1
255.12363	40.5
256.12421	2.6
267.14136	3.1
269.07098	2.6
269.13907	2.3
271.02255	4.0
285.03903	2.5
285.15076	7.2
297.04034	34.1
298.04095	5.4
314.03946	7.3
314.13239	2.4
329.06183	8.3
329.10043	16.5
329.15735	69.4
329.22952	6.5
330.16537	9.5
330.20062	3.3
339.10904	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	329.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
71.01377	3.9
71.55451	1.1
73.02954	1.5
79.25562	0.6
81.03430	0.9
83.01398	0.8
85.02951	2.2
96.75468	0.6
97.08869	0.6
101.02449	3.4
113.02462	2.0
120.17826	0.7
121.02979	1.3
122.03774	1.1
123.04091	0.6
133.03006	2.4
135.00876	0.9
135.03540	1.0
161.04704	7.8
162.05348	7.0
163.04025	1.2
163.05956	4.8
167.03532	3.0
176.07126	1.5
177.07501	1.7
211.72693	0.7
213.76927	0.7
269.10236	5.6
281.09265	1.2
286.03903	1.9
293.09357	1.0
301.06262	3.1
311.10443	4.2
314.13571	1.9
329.05658	19.8
329.11914	1.5
329.15878	8.4
330.06116	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	(1'R,2'S)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.28618	0.8
54.22982	0.7
55.01893	1.8
57.03458	1.0
58.00592	3.5
59.01376	100.0
60.01706	1.1
61.98826	2.2
71.01377	62.0
71.50892	0.7
71.56235	1.1
71.58277	0.8
72.99300	6.0
73.02943	2.7
75.00866	2.5
81.03445	1.6
83.01383	4.2
84.04502	0.8
85.02947	11.3
87.00871	4.3
88.04042	1.4
89.02440	71.9
90.02781	1.1
92.92302	0.7
95.01374	4.4
95.05048	0.9
97.02945	2.2
98.02469	1.8
101.02437	36.9
101.12185	0.8
102.02808	1.2
108.02166	1.0
113.02439	22.5
114.02779	1.0
119.03490	30.6
119.04839	1.2
120.03779	0.9
122.03726	2.4
123.00902	0.8
123.04520	7.5
125.02409	3.5
131.03516	2.3
131.07104	2.5
134.03732	25.1
143.03496	3.7
149.02397	1.1
149.04677	1.8
149.06061	24.9
150.03062	1.3
150.06395	1.2
152.04752	2.0
161.04582	2.1
162.05580	0.9
165.04054	1.8
166.02687	1.0
167.03389	5.5
167.07104	3.7
168.08484	0.9
179.05600	3.1
181.05054	1.2
183.11325	3.0
183.12822	0.8
197.90434	0.8
201.12393	0.9
246.54749	0.9
301.07065	4.4
311.12463	0.9
329.06668	3.6
329.12366	4.7
329.16101	1.5
330.15829	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02218	0.6
57.03440	1.2
58.36705	0.6
59.01376	100.0
60.01703	1.1
62.04771	0.6
71.01387	5.9
71.56564	1.0
73.02939	2.5
81.03461	0.6
83.01401	1.3
85.02961	2.4
95.13567	0.6
99.00845	0.9
101.02441	3.7
103.14381	0.7
109.02983	0.7
113.02449	2.4
121.02975	1.9
122.03284	0.5
125.02499	0.7
133.02914	2.4
134.03339	1.6
135.00916	0.9
143.03500	0.6
143.99391	0.5
159.02968	0.6
161.04686	7.4
162.05540	7.0
163.04050	0.7
163.04597	0.6
163.05919	5.7
163.72240	0.5
165.04443	0.6
167.03525	3.4
176.07155	1.6
177.07500	2.6
180.35414	0.5
209.08109	1.0
224.17271	0.5
228.61049	0.6
236.09850	0.6
267.07767	0.9
269.10281	5.4
281.09238	1.3
285.03391	0.7
286.03857	2.5
300.05334	0.8
301.06097	4.0
311.10266	3.6
314.13672	3.1
329.05606	23.5
329.11713	1.3
329.15787	9.0
330.05893	1.7
330.16281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41607	1.5
61.97112	1.8
69.45725	11.3
71.01387	5.4
73.02955	4.5
87.00893	3.2
89.02445	22.8
93.71037	1.6
117.66293	1.8
131.03488	6.8
149.04556	100.0
150.04924	2.3
187.08765	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71211	0.4
55.01871	0.8
57.03447	0.9
59.01375	100.0
60.01709	1.3
69.03455	1.1
70.68269	0.6
70.68602	1.1
71.01378	10.5
71.53247	0.5
72.99297	0.4
73.02933	4.7
73.03246	0.4
83.01400	2.1
85.02952	5.6
87.00887	0.6
88.04051	0.8
89.02444	1.6
95.01375	0.8
96.37763	0.4
97.02924	1.2
99.00869	2.3
101.02437	9.5
108.02179	1.3
113.02444	4.7
123.04502	1.6
125.02448	7.8
130.08777	1.0
150.31444	0.5
159.03018	0.9
161.04546	5.6
167.03445	4.8
206.40611	0.5
269.10318	5.4
300.34268	0.5
300.76791	0.5
329.16245	0.6
330.15741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.3
59.01381	2.2
61.98798	0.8
69.88963	2.0
71.01381	6.8
73.02950	2.5
77.66085	0.3
80.18038	0.3
83.01374	0.7
85.02956	3.3
87.00832	0.4
89.02446	1.2
91.19019	0.3
93.03432	0.9
95.01360	0.6
97.02940	0.7
98.19945	0.4
99.00882	1.2
99.04517	0.6
101.02429	4.7
108.02167	1.4
109.02932	1.2
113.02451	4.3
116.05065	2.7
121.02953	2.3
121.06612	0.5
122.03735	100.0
123.04562	22.0
124.04882	0.7
125.02454	1.1
127.71731	0.4
135.04539	1.4
137.02443	1.1
137.06050	1.2
140.05064	1.0
143.03455	0.9
147.04503	1.2
148.05257	0.4
150.03212	0.4
159.03018	1.9
161.04549	10.8
165.05548	5.8
166.06520	0.4
167.03474	2.5
168.08157	2.8
177.05498	1.7
179.07396	1.3
180.05734	0.7
180.08179	3.5
180.13377	0.3
181.05217	0.4
182.06201	0.4
192.08150	1.9
194.06134	0.4
194.09734	1.7
195.06670	0.4
196.07642	0.6
204.08144	1.0
206.06090	2.3
207.06821	1.1
219.07063	0.4
220.07706	1.2
222.09232	14.6
229.17799	0.5
238.08760	0.5
239.09555	0.4
254.11848	8.2
255.08977	0.6
264.71133	0.3
270.02466	0.4
274.99097	0.3
285.09903	2.8
285.73929	0.4
329.08713	7.1
330.04721	1.2
330.09406	0.5
330.13419	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	329.0876
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
59.01372	1.9
59.88766	0.4
61.98825	1.2
63.41786	0.4
65.60138	0.4
66.81902	0.5
68.07682	0.4
70.88424	0.5
70.88771	1.0
71.01380	1.2
73.02957	0.4
76.80550	0.4
77.33412	0.5
77.68680	0.4
81.03410	0.4
85.02976	0.9
108.02168	58.4
109.02509	1.7
119.53795	0.4
121.02928	0.5
122.03707	0.7
123.00914	0.4
123.04520	35.2
124.04874	1.4
125.02463	1.8
126.66256	0.4
152.01144	39.3
153.01501	1.7
167.03484	100.0
168.03822	4.2
184.84698	0.5
196.82137	0.5
238.18362	0.4
285.09769	1.1
329.08743	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	329.0874
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01376	6.4
70.66672	0.6
70.67041	0.5
71.01379	3.1
77.19809	0.3
85.02943	0.8
89.02434	3.0
93.03458	1.0
94.86673	0.3
95.01365	0.4
95.05035	0.9
101.02441	1.7
108.02168	0.4
113.02456	1.2
119.03487	1.5
122.03742	0.8
123.04514	100.0
124.04853	3.8
149.02388	0.5
167.03494	11.0
168.03777	0.5
192.27731	0.3
245.28601	0.3
329.08743	5.5
329.12479	0.5
330.09045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.1
59.01376	6.1
61.98812	2.6
71.01373	5.6
71.05019	0.7
71.56271	1.0
83.04997	1.1
85.02940	0.9
86.79697	0.7
89.77725	0.7
96.95993	1.2
97.06561	1.3
99.08188	0.7
110.03747	1.3
111.08184	1.2
112.08530	1.0
118.06609	0.8
121.02937	2.6
122.03766	3.8
122.10545	1.1
123.04510	0.8
123.08157	1.5
124.08482	1.0
126.10014	0.9
127.07618	0.7
127.11310	0.8
134.06131	0.9
137.02449	1.3
137.09663	0.8
138.10001	1.1
139.11337	0.8
141.12869	1.0
153.02844	0.6
154.02663	1.2
161.04831	9.3
162.05609	12.9
171.10292	5.8
172.10580	3.1
176.07133	4.0
177.12767	1.1
178.13153	2.0
182.63109	0.7
185.11826	8.8
186.12158	12.3
197.11755	4.2
198.12175	6.3
209.11702	3.2
210.12135	6.7
211.13354	2.3
212.13643	1.9
221.11835	3.0
222.12202	6.4
229.14502	1.5
239.12846	2.9
240.13226	4.2
240.16652	1.4
244.13341	1.5
258.14389	0.9
277.71759	0.8
292.20029	5.1
302.17630	5.7
310.20984	4.3
313.13077	3.1
328.05267	1.6
328.16180	10.6
328.22055	100.0
329.16080	1.2
329.22845	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	329.021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	39.7
61.98812	1.6
69.16151	5.9
84.87585	0.5
84.95142	0.6
85.06009	0.6
87.00906	0.7
88.21185	0.6
91.09914	0.7
115.02533	1.4
117.00431	6.0
126.98846	1.1
132.04347	0.6
133.83995	0.7
143.01997	3.3
144.02176	0.5
157.03543	1.1
158.99556	0.8
159.01483	55.9
160.01672	4.3
168.99881	3.3
170.97864	5.2
187.00966	100.0
188.00536	12.3
201.02525	14.2
202.02568	0.8
241.00406	0.8
274.99445	2.8
287.00958	0.7
311.01120	1.0
328.96762	1.3
329.02130	3.8
330.02133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.4
59.01363	6.5
61.58618	1.0
61.98825	2.2
66.91331	1.0
68.99826	2.2
71.01378	11.4
71.54775	1.1
73.02934	6.4
83.01408	1.3
85.02944	7.4
87.00874	3.1
89.02440	27.7
89.85554	1.2
96.99272	1.7
97.02947	0.9
99.00880	1.7
101.02435	3.7
103.04002	2.4
105.01936	3.8
108.02184	7.6
112.00381	2.8
112.98793	1.8
113.02419	1.0
114.05599	1.6
115.00375	1.0
121.02938	1.4
122.03728	27.6
123.04517	56.6
124.00407	3.5
124.04879	1.8
125.02445	6.1
126.01902	1.7
127.00304	1.8
131.03494	6.4
131.32140	0.9
138.01991	2.5
140.03531	1.6
147.02983	1.2
149.04543	100.0
150.04813	1.8
152.01089	4.7
152.32545	0.9
161.04520	2.5
165.05577	1.5
167.03494	17.5
168.03003	3.7
180.08118	1.1
184.02524	2.7
186.04071	3.2
209.02907	1.4
222.09216	4.6
237.76891	1.1
254.11830	2.0
270.02420	6.0
285.09760	2.8
316.25488	1.0
329.08847	5.2
330.04614	20.1
330.08469	1.9
330.13153	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	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
58.00583	0.8
59.01378	0.6
59.30611	0.5
62.70783	0.4
70.48294	1.2
71.01389	0.4
73.02902	0.5
85.02937	0.5
93.27625	0.4
97.06579	2.2
111.06011	0.4
122.03693	0.7
131.38704	0.5
153.12917	2.2
155.13393	0.5
155.14429	5.0
155.86346	0.4
156.14764	0.6
161.04814	1.0
162.05598	1.2
167.14415	0.7
171.10211	1.1
183.13879	6.8
193.12146	0.5
196.76915	0.5
197.11867	0.9
199.13402	6.2
211.13377	5.3
212.64699	0.4
227.12862	5.0
228.13174	0.5
229.14421	100.0
230.14787	6.6
291.19775	1.9
309.20706	9.4
310.21057	1.0
327.05020	1.0
327.11652	0.6
327.21692	8.7
328.11948	0.7
328.15472	1.0
328.22098	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	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03428	1.7
59.01363	0.6
69.03450	1.1
71.01417	1.0
71.15764	0.9
83.05004	0.9
85.02944	5.7
92.53430	0.4
95.05017	1.6
97.02969	0.5
97.06592	4.6
100.89778	0.5
102.01188	0.4
107.99731	0.5
108.08282	0.5
110.03710	0.5
125.09731	1.5
127.11303	2.3
136.23190	0.5
137.09714	1.0
143.39107	0.4
155.10739	1.0
165.12848	0.8
166.92085	0.5
167.14410	1.1
171.10266	11.5
177.12798	1.0
183.13898	4.3
185.11813	1.7
193.12315	1.5
209.11797	1.8
211.13380	25.2
212.13684	1.3
221.11763	3.6
229.14412	13.4
230.14664	0.6
239.12852	1.8
247.20554	0.5
260.92517	0.4
291.19714	3.0
309.20728	0.7
327.21741	100.0
328.22046	11.3
345.48657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.88374	0.5
51.25815	0.5
53.81380	0.4
57.03434	1.1
57.82420	0.5
59.01374	3.3
69.03435	0.8
69.74590	0.5
70.49857	0.5
70.56104	0.5
70.56426	1.3
71.01379	5.8
71.68692	0.6
80.36169	0.5
81.44063	0.5
83.01394	1.3
83.05006	0.5
85.02963	0.8
95.05040	0.8
97.06577	0.7
110.03730	1.9
111.08172	1.1
117.50800	0.4
119.99128	0.5
123.08169	2.3
125.09693	2.0
131.93405	0.6
134.00935	0.5
141.12830	1.0
155.10794	0.9
161.04845	0.8
162.05605	0.9
163.11296	1.0
165.12799	0.8
165.73677	0.5
171.10344	3.0
177.12869	3.5
185.11813	20.3
186.12175	1.0
197.11809	9.5
201.11273	1.0
203.10739	1.1
209.11835	9.5
211.13402	1.7
221.11803	8.7
222.12146	0.7
229.14429	0.6
239.12868	8.8
257.13980	1.4
291.19614	4.5
292.20102	0.7
309.20764	3.6
310.20990	0.7
327.04898	1.2
327.21741	100.0
328.16013	0.6
328.22079	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	328.1915
Annotation	Kusnesoline
Peak:m/z	Relative Intensity
51.81538	0.7
54.91994	0.7
59.01380	5.5
59.28567	0.8
61.98830	0.8
91.05540	1.5
96.96030	1.0
98.19820	1.6
98.85983	0.8
107.05037	2.8
118.06636	0.9
121.02972	3.2
122.03776	4.1
123.04518	2.9
135.04501	6.1
137.02478	1.6
148.07689	4.8
150.12909	1.1
154.02704	1.1
161.04802	11.9
162.05602	12.2
171.10269	1.7
176.07161	3.9
177.11589	1.8
192.13918	100.0
193.14276	5.7
229.70131	0.9
313.13132	2.5
328.15472	12.3
328.19095	83.6
329.15805	1.1
329.19394	10.3
329.23260	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	327.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79790	1.2
55.01877	3.2
57.03436	2.1
58.00607	1.6
59.01375	87.7
61.98838	1.8
63.08401	1.3
64.24672	1.3
65.95377	1.8
66.99239	1.6
67.01925	1.4
70.02907	4.8
71.01379	42.2
72.99288	1.3
73.02936	13.0
75.00861	3.4
83.01402	6.4
85.02506	1.8
85.02956	15.8
87.00882	1.6
89.02442	19.4
93.03426	2.0
95.01369	2.3
99.00843	6.4
101.01785	2.9
101.02440	42.4
105.05553	9.6
113.02443	21.2
119.03469	5.2
122.02492	3.5
143.03461	3.8
144.93433	1.5
159.02914	3.4
161.04550	38.8
162.04828	1.4
165.07611	3.3
169.92654	1.4
179.05656	3.3
246.17468	1.5
267.10822	100.0
268.11288	6.7
327.12894	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01370	3.9
59.26730	0.6
59.74501	0.5
61.98810	1.5
69.03448	4.0
70.86963	0.7
71.01372	2.5
71.28200	1.3
83.01382	0.6
83.05015	0.9
83.77528	0.6
85.02944	3.3
87.04524	0.9
95.05003	0.7
97.06573	1.4
99.08117	0.7
108.05786	1.1
109.02924	0.6
110.03664	0.7
111.08143	1.5
115.01314	0.6
116.07179	0.7
119.08660	4.3
120.89599	0.7
121.02967	1.6
122.03726	2.1
123.08138	1.4
125.09711	2.6
127.11271	2.0
133.02968	1.7
135.08096	1.3
137.02438	1.1
137.09718	16.1
138.10033	0.7
138.55464	0.6
139.11234	0.7
149.02443	0.7
161.04784	6.2
162.05602	6.5
163.04073	0.6
165.12885	0.7
171.10258	54.3
172.10571	2.9
176.07172	1.9
177.12848	0.8
179.14357	0.7
183.13995	1.5
185.11809	7.7
193.12384	0.9
195.13939	1.3
196.85028	0.6
197.11823	7.2
199.13396	1.2
201.11302	9.2
201.97919	0.6
202.11588	0.8
209.11850	3.2
211.13341	4.7
213.11180	1.6
221.11803	2.7
227.12688	1.0
229.14449	2.0
239.12825	2.5
239.16539	5.6
267.10855	1.2
273.18533	1.5
284.03171	1.1
291.19684	5.9
299.05624	2.4
309.20673	8.8
313.13092	1.9
327.05075	8.5
327.21747	100.0
328.05365	0.9
328.15744	6.2
328.22034	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	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
59.01375	22.7
61.98819	2.3
63.31021	1.0
64.11354	1.1
68.99796	1.3
71.01376	13.7
71.54810	1.0
72.99320	1.7
73.02944	1.6
75.00868	34.0
83.01418	1.9
85.02958	9.5
89.02437	10.8
93.03487	1.2
99.00883	1.3
101.02454	8.9
108.02161	9.3
113.02444	4.7
117.10572	1.1
119.02766	1.1
119.03516	4.5
119.05020	43.7
120.05345	15.5
121.02923	3.7
121.05595	9.8
123.04530	3.4
129.01947	10.2
129.03438	1.8
130.47029	1.2
135.04503	12.7
137.02460	1.3
147.04510	100.0
148.04851	4.7
152.01170	5.5
157.06271	1.2
158.87784	1.0
163.04008	24.0
164.04323	14.5
165.04077	87.5
165.05568	27.7
166.04459	1.7
168.75835	1.0
171.06636	1.1
179.03551	5.5
179.05219	0.9
191.04897	3.6
241.05237	1.3
246.54745	1.1
249.28922	1.3
327.07059	8.4
327.10764	4.4
327.21521	1.4
328.11612	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	327.1234
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
59.01411	0.9
59.13624	0.4
59.26493	0.6
61.98864	0.6
71.58708	0.8
93.03435	2.5
108.02223	0.7
109.02996	1.8
119.05128	1.4
121.02952	18.5
122.03815	0.8
123.04520	2.7
131.05099	0.7
133.03015	1.7
135.04596	1.4
137.73799	0.5
145.02994	0.6
146.03763	0.6
147.04549	5.0
158.03745	0.9
158.81480	0.6
159.04553	1.7
161.04895	2.2
161.06140	0.7
162.05615	2.7
163.04004	4.1
171.04535	1.0
174.03290	0.7
175.03993	18.0
176.04395	1.0
176.07184	0.9
183.04561	0.6
185.06003	0.6
187.04012	1.3
188.04745	0.8
189.05608	1.0
190.06332	6.0
193.06621	0.5
195.08145	1.2
196.05324	1.1
197.06046	1.1
203.07045	1.2
205.06653	0.7
207.08162	1.0
208.05263	0.6
209.06049	2.4
211.03970	0.6
211.07681	2.3
212.04842	0.6
213.05563	0.9
217.06410	0.6
221.06113	1.8
222.05162	6.6
223.07593	5.3
223.09325	0.5
224.04710	0.7
224.08330	0.5
225.05511	2.6
225.09256	1.2
226.06343	1.2
233.06087	4.4
234.06757	1.2
235.07684	1.7
236.04913	1.0
237.05594	2.1
238.06282	1.0
239.07109	6.0
240.04329	1.0
240.07831	1.1
241.05058	1.8
241.08727	1.9
249.05569	3.4
250.06244	2.5
251.07083	8.4
252.07814	1.7
253.05098	1.5
253.08765	2.2
254.05881	2.0
255.06760	0.7
261.05551	5.3
262.06284	2.1
263.07010	2.6
264.04282	1.6
266.05908	1.2
267.06589	10.1
268.07327	4.2
269.08160	20.6
270.08521	1.6
277.05106	1.0
278.05774	2.3
278.09482	2.2
279.06589	22.4
280.07199	4.3
281.08304	1.0
282.08990	2.0
283.09683	4.9
293.08127	0.9
294.08969	8.2
295.06152	0.6
295.09409	1.1
296.06958	2.4
297.07663	90.4
298.08041	8.5
299.05566	1.3
309.11310	27.3
310.11664	3.9
311.09222	3.2
312.09985	53.1
313.10287	5.6
313.13287	0.7
327.04974	4.8
327.12329	100.0
328.12421	9.9
328.15695	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	327.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93045	1.3
59.01367	6.0
60.27918	1.4
61.98829	100.0
63.13261	1.4
69.75117	1.4
71.01374	1.5
71.57753	1.9
72.61591	1.3
109.02940	2.0
119.05016	1.6
121.02962	14.1
122.03765	3.2
133.02917	6.7
140.38766	1.3
147.04491	3.8
149.02405	2.0
161.04819	10.5
161.72984	1.4
162.05585	14.0
163.03975	3.8
165.01949	1.6
175.03976	7.3
176.07184	3.6
180.06674	2.1
190.06325	2.8
222.05167	3.5
223.07571	2.9
231.61743	1.8
233.06018	1.8
239.07147	3.1
247.18794	1.3
249.05499	1.5
249.77553	1.5
251.07091	2.6
253.05045	1.5
257.55814	1.4
261.05487	3.0
267.06558	3.5
268.07291	2.8
269.08090	7.3
279.06638	7.7
284.03149	3.4
294.08893	4.5
297.07642	37.8
297.11032	1.9
298.08008	6.0
298.10971	1.5
299.05527	6.7
309.11313	12.4
312.09869	25.1
313.13168	4.4
327.05127	31.7
327.12314	45.6
328.05402	4.4
328.12466	3.8
328.15829	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	327.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07835	1.0
56.92384	1.1
59.01378	100.0
60.01711	1.4
61.98848	2.5
69.03444	1.7
69.24667	11.5
71.01375	34.5
72.01746	1.5
73.02942	58.3
75.00894	1.8
83.01379	15.3
85.02941	6.7
87.00870	1.4
89.02430	7.3
97.02943	1.3
98.20719	2.0
101.02436	49.0
102.02778	1.5
108.02178	8.6
109.02969	2.0
113.02449	13.9
119.03492	4.2
121.02961	2.4
122.03736	44.3
124.01655	3.9
125.02429	2.4
131.03503	3.0
136.01578	1.8
137.02440	7.5
137.06093	2.3
143.03494	3.5
149.02475	1.6
149.04553	5.2
152.01147	4.5
154.02713	7.3
155.03510	1.5
161.04530	10.6
162.05603	2.7
165.05551	2.4
175.06371	3.5
176.07204	1.5
189.11678	1.2
190.08716	2.6
203.05620	1.6
221.06667	1.8
309.18362	1.8
327.07132	4.0
328.11676	2.7
328.15414	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	327.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
59.01384	0.1
63.02396	0.1
65.00322	1.1
65.03959	0.1
67.01885	0.2
68.24967	0.1
68.94224	0.1
68.99822	0.2
69.03449	0.2
71.57560	0.1
75.66146	0.1
77.03963	1.8
78.04301	0.1
79.01463	0.1
79.01891	1.5
81.03449	0.7
83.01383	1.0
85.02922	0.1
89.03947	0.1
91.05535	0.2
93.03456	1.0
95.01392	0.3
95.05054	0.3
97.02944	1.4
104.02766	0.1
105.03461	1.1
107.01389	1.3
107.05018	0.2
108.02168	0.2
109.02948	3.4
110.03266	0.1
111.00941	0.1
115.01847	0.1
117.03455	0.3
118.06616	0.3
119.01447	0.1
119.05025	1.9
120.05408	0.1
121.02953	3.7
122.03716	0.3
123.00887	0.5
123.04556	0.4
124.01673	0.2
125.02445	2.5
126.02779	0.1
131.01408	0.1
131.05006	0.1
132.02170	0.7
133.02950	24.6
134.03366	0.9
134.06059	0.1
135.00885	0.2
135.04523	3.3
136.01653	0.2
136.04788	0.1
137.02441	0.8
139.03992	0.2
143.04996	0.2
145.02939	0.6
146.03706	0.2
147.00858	0.1
147.04515	1.9
148.01666	1.0
149.02448	2.3
150.02818	0.1
151.00371	0.6
151.03999	0.7
156.05814	0.1
157.06595	0.1
159.04573	0.1
161.02446	0.8
161.03558	0.1
161.04807	2.0
162.03214	0.1
162.05597	2.5
162.06960	0.1
163.00349	0.7
163.04002	5.9
164.01118	0.3
164.04320	0.2
165.01921	2.9
167.03535	0.1
167.05009	0.1
168.05739	0.1
169.06566	0.1
170.03661	0.1
171.04526	0.4
171.08119	0.1
172.05254	0.2
173.02426	0.8
173.06041	0.2
174.03239	0.3
175.00359	0.3
175.03993	3.9
176.01140	0.2
176.04413	0.2
176.07140	0.7
177.01926	0.6
181.06552	0.2
182.03674	0.1
183.04538	0.3
183.08073	0.1
184.05276	0.2
185.06033	0.4
187.04033	0.2
187.07576	0.2
188.04752	0.1
189.01930	0.5
189.05537	0.2
190.02705	0.2
190.99811	0.2
191.03496	2.6
192.03841	0.1
193.01404	2.8
194.01704	0.1
195.04510	0.3
196.05254	0.3
197.02448	0.1
197.06046	0.3
198.03227	0.6
198.06749	0.1
199.04007	1.8
199.07555	0.4
200.04774	0.3
201.01913	1.6
201.05629	0.1
202.02464	0.2
203.07091	0.1
209.06026	0.4
210.06670	0.1
211.04028	1.2
211.07605	0.4
212.04791	0.9
213.05563	1.6
214.02846	0.1
214.06049	0.1
215.03500	0.2
216.04236	0.1
217.01488	0.1
217.05089	0.4
223.03979	0.1
224.04773	0.1
225.05585	0.7
226.02641	0.3
226.06244	0.2
227.03479	0.6
227.07056	0.8
228.04265	0.2
229.05017	0.6
231.06596	0.6
235.04314	0.1
237.05586	0.6
238.06104	0.2
239.03491	0.4
239.07236	0.1
240.01891	0.1
240.04274	1.4
241.05057	1.0
242.02112	0.3
242.05573	0.1
243.02954	0.5
243.06656	0.3
244.03383	0.1
253.05069	0.9
254.05595	0.3
255.02914	0.5
255.06668	1.2
256.03763	0.9
257.04419	0.4
259.06003	0.3
265.05014	0.1
266.02350	0.1
267.03040	0.1
268.03568	0.1
269.04578	0.5
270.05246	0.2
271.06055	0.6
272.06583	0.1
281.04520	0.7
282.05038	0.1
283.02435	0.3
283.06131	0.3
284.03238	12.9
285.03571	1.2
297.04053	1.8
297.06674	0.0
297.07538	0.1
298.04800	5.2
299.05579	22.0
300.05927	1.8
309.04041	0.7
312.12051	0.2
313.12979	0.5
325.03522	0.2
327.05063	100.0
328.05405	10.2
328.11987	0.1
328.15488	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.217
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
58.42212	0.5
59.01379	1.2
61.62798	0.5
69.54741	2.5
105.00842	0.5
105.40512	0.5
133.06593	0.8
149.09709	92.1
150.10056	5.6
163.11278	100.0
164.11632	5.9
183.01204	29.6
183.02893	0.8
184.01939	5.6
193.11195	0.5
197.02762	1.4
198.59483	0.5
216.00969	2.7
219.95377	0.6
228.88193	0.5
261.22116	0.6
265.25323	1.3
302.07211	0.5
311.11658	0.9
325.18311	57.2
325.21722	96.8
325.26993	3.8
326.18616	6.4
326.22052	12.5
326.27808	0.9
339.00104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0497
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
55.01878	0.2
59.01384	0.1
63.02396	0.1
65.00322	1.1
65.03959	0.1
67.01885	0.2
68.24967	0.1
68.94224	0.1
68.99822	0.2
69.03449	0.2
71.57560	0.1
75.66146	0.1
77.03963	1.8
78.04301	0.1
79.01463	0.1
79.01891	1.5
81.03449	0.7
83.01383	1.0
85.02922	0.1
89.03947	0.1
91.05535	0.2
93.03456	1.0
95.01392	0.3
95.05054	0.3
97.02944	1.4
104.02766	0.1
105.03461	1.1
107.01389	1.3
107.05018	0.2
108.02168	0.2
109.02948	3.4
110.03266	0.1
111.00941	0.1
115.01847	0.1
117.03455	0.3
118.06616	0.3
119.01447	0.1
119.05025	1.9
120.05408	0.1
121.02953	3.7
122.03716	0.3
123.00887	0.5
123.04556	0.4
124.01673	0.2
125.02445	2.5
126.02779	0.1
131.01408	0.1
131.05006	0.1
132.02170	0.7
133.02950	24.6
134.03366	0.9
134.06059	0.1
135.00885	0.2
135.04523	3.3
136.01653	0.2
136.04788	0.1
137.02441	0.8
139.03992	0.2
143.04996	0.2
145.02939	0.6
146.03706	0.2
147.00858	0.1
147.04515	1.9
148.01666	1.0
149.02448	2.3
150.02818	0.1
151.00371	0.6
151.03999	0.7
156.05814	0.1
157.06595	0.1
159.04573	0.1
161.02446	0.8
161.03558	0.1
161.04807	2.0
162.03214	0.1
162.05597	2.5
162.06960	0.1
163.00349	0.7
163.04002	5.9
164.01118	0.3
164.04320	0.2
165.01921	2.9
167.03535	0.1
167.05009	0.1
168.05739	0.1
169.06566	0.1
170.03661	0.1
171.04526	0.4
171.08119	0.1
172.05254	0.2
173.02426	0.8
173.06041	0.2
174.03239	0.3
175.00359	0.3
175.03993	3.9
176.01140	0.2
176.04413	0.2
176.07140	0.7
177.01926	0.6
181.06552	0.2
182.03674	0.1
183.04538	0.3
183.08073	0.1
184.05276	0.2
185.06033	0.4
187.04033	0.2
187.07576	0.2
188.04752	0.1
189.01930	0.5
189.05537	0.2
190.02705	0.2
190.99811	0.2
191.03496	2.6
192.03841	0.1
193.01404	2.8
194.01704	0.1
195.04510	0.3
196.05254	0.3
197.02448	0.1
197.06046	0.3
198.03227	0.6
198.06749	0.1
199.04007	1.8
199.07555	0.4
200.04774	0.3
201.01913	1.6
201.05629	0.1
202.02464	0.2
203.07091	0.1
209.06026	0.4
210.06670	0.1
211.04028	1.2
211.07605	0.4
212.04791	0.9
213.05563	1.6
214.02846	0.1
214.06049	0.1
215.03500	0.2
216.04236	0.1
217.01488	0.1
217.05089	0.4
223.03979	0.1
224.04773	0.1
225.05585	0.7
226.02641	0.3
226.06244	0.2
227.03479	0.6
227.07056	0.8
228.04265	0.2
229.05017	0.6
231.06596	0.6
235.04314	0.1
237.05586	0.6
238.06104	0.2
239.03491	0.4
239.07236	0.1
240.01891	0.1
240.04274	1.4
241.05057	1.0
242.02112	0.3
242.05573	0.1
243.02954	0.5
243.06656	0.3
244.03383	0.1
253.05069	0.9
254.05595	0.3
255.02914	0.5
255.06668	1.2
256.03763	0.9
257.04419	0.4
259.06003	0.3
265.05014	0.1
266.02350	0.1
267.03040	0.1
268.03568	0.1
269.04578	0.5
270.05246	0.2
271.06055	0.6
272.06583	0.1
281.04520	0.7
282.05038	0.1
283.02435	0.3
283.06131	0.3
284.03238	12.9
285.03571	1.2
297.04053	1.8
297.06674	0.0
297.07538	0.1
298.04800	5.2
299.05579	22.0
300.05927	1.8
309.04041	0.7
312.12051	0.2
313.12979	0.5
325.03522	0.2
327.05063	100.0
328.05405	10.2
328.11987	0.1
328.15488	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2017
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03448	3.5
58.00587	5.1
59.01388	14.8
59.41317	1.4
63.04276	1.7
64.65314	1.8
69.03484	2.0
70.78622	3.6
71.01361	7.1
71.05022	1.6
72.19978	1.4
73.02947	1.4
81.03428	1.9
83.05047	2.7
84.02135	1.7
89.21135	1.4
89.54391	1.4
89.54993	1.7
95.01357	1.6
95.40804	1.4
97.06569	3.1
99.04505	1.8
105.07076	1.9
109.06613	2.1
111.08147	21.9
123.08166	8.9
125.09728	4.9
127.11284	3.7
135.08162	4.9
137.09709	2.0
139.11353	1.8
141.09265	1.5
151.11272	3.4
153.09219	7.0
153.12880	2.6
155.10767	5.2
163.11325	3.3
165.12859	3.0
167.10762	7.0
169.12340	4.0
171.10249	40.1
172.10530	2.0
181.12375	2.4
183.01193	2.0
183.10304	3.5
185.11819	22.5
197.11821	22.2
198.12151	2.1
199.13393	28.6
200.13606	1.7
201.11302	31.6
202.11632	2.1
209.11751	9.5
211.13437	2.3
213.11272	8.5
215.12894	2.6
220.31784	1.5
227.12868	100.0
228.13193	8.4
229.14450	7.3
235.13411	2.2
245.19170	2.7
263.20328	1.7
289.18054	8.7
307.19116	14.5
308.19604	2.3
311.11801	4.5
325.14908	2.7
325.20203	59.8
326.10251	2.5
326.13983	2.6
326.20480	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
54.76238	2.4
57.03436	12.5
58.69154	2.6
59.01369	18.5
61.98836	5.9
64.52843	2.5
65.03957	4.6
69.03448	11.5
69.42502	19.2
71.05019	25.3
78.91891	5.7
79.05544	4.7
80.91668	4.3
81.03452	3.3
83.05033	17.9
87.04506	8.3
91.01606	2.7
91.19006	2.8
93.07061	2.8
95.05034	5.1
96.96001	7.1
97.06606	17.0
98.20702	6.7
104.21407	2.6
106.04244	3.8
109.06602	19.0
111.08126	3.7
117.29929	2.5
121.06586	4.1
123.08126	17.9
125.09714	7.2
127.07672	3.6
127.11289	3.1
135.08173	8.8
141.09203	8.3
148.04051	5.1
151.11249	3.9
153.09203	8.0
163.11314	3.2
171.10258	59.3
183.10219	3.7
185.11800	50.8
187.74489	3.2
197.11777	18.4
201.11301	9.7
207.13852	4.6
209.11824	22.8
209.15396	3.5
211.13335	15.3
215.23441	2.8
219.13872	22.6
227.12988	3.6
231.84970	2.8
235.13347	30.2
237.15062	13.8
245.19084	3.7
249.14929	9.2
255.16046	3.2
265.83990	5.4
269.04343	3.8
280.86417	4.0
281.06973	4.1
289.18246	15.3
307.19186	14.2
308.19296	4.1
311.11685	10.0
324.85364	3.6
325.12582	3.5
325.20184	100.0
326.10309	6.9
326.13922	7.0
326.20593	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32541	1.4
57.03435	7.2
58.00561	1.9
59.01364	4.9
68.22939	1.4
69.03446	4.0
69.97684	4.4
69.98103	3.1
71.01360	3.2
71.05022	10.3
75.10112	1.7
80.02669	3.9
80.09917	1.5
83.05029	3.9
85.06588	3.7
87.04514	3.3
91.05540	2.0
93.03454	2.1
95.05004	2.8
97.02942	6.0
97.06577	5.7
101.56571	1.8
107.05030	3.7
109.06583	33.5
120.76878	1.7
125.06056	4.7
127.07636	3.8
151.11223	2.0
169.12338	6.9
181.12328	6.0
183.13919	3.8
189.13799	1.5
193.12352	3.6
197.11819	63.6
198.12105	4.5
199.13419	4.4
211.13382	37.5
212.13622	2.0
235.13361	6.1
237.14972	7.4
249.14954	4.3
282.96939	1.6
289.18088	4.1
307.19122	2.3
325.20175	100.0
326.20453	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	325.2017
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
51.46300	0.4
57.03437	1.4
58.00584	1.2
59.01377	4.1
67.71616	0.6
69.03442	1.5
70.45956	0.7
70.46285	1.2
71.01377	2.4
71.05021	1.2
72.02168	0.9
73.02934	0.6
78.95863	0.5
80.02673	2.5
80.95181	0.5
81.03442	2.6
83.05024	7.5
84.02151	4.2
93.03481	1.0
95.05008	2.2
96.96954	1.0
97.02942	1.9
97.06594	2.9
98.19985	0.7
99.08154	1.7
108.02237	0.6
109.06587	2.0
111.08136	1.4
115.07629	1.5
116.07187	3.1
116.93959	0.5
121.06594	1.4
125.06068	1.1
125.09707	2.7
127.07629	9.5
135.08156	1.6
137.09729	1.3
139.07707	2.4
149.09731	1.2
151.09988	0.5
151.11182	0.8
151.60846	0.6
153.09215	0.7
155.10770	1.7
157.08647	0.7
163.10004	0.7
163.11301	6.0
165.12798	3.9
167.10664	0.7
171.10266	2.2
178.10008	1.5
181.12335	1.8
185.11819	11.9
186.12173	1.2
191.10785	1.1
191.14578	0.6
193.12379	0.8
195.10249	1.7
196.10413	0.6
197.11810	15.1
198.12175	0.6
207.10233	1.0
209.11809	100.0
210.12148	7.8
211.13405	1.6
227.12857	7.5
228.13135	0.6
233.11600	0.8
236.10594	0.7
237.11217	0.8
238.12062	4.4
239.16460	0.7
245.19073	1.6
249.14999	0.6
251.16333	0.7
253.18221	0.8
255.12224	0.9
256.13062	1.7
260.15189	0.5
279.19373	0.9
289.18051	5.4
290.18323	0.7
297.10077	0.7
299.11795	0.8
307.19122	55.1
308.19409	6.5
325.09668	5.8
325.20175	34.7
326.10303	1.0
326.20197	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	4.6
59.01366	2.1
59.23286	0.6
71.01359	0.7
73.02923	0.7
78.46989	0.6
83.05045	0.7
84.02211	0.9
84.62897	0.7
97.06580	2.0
113.06055	0.8
115.07629	0.9
125.70010	0.6
127.07622	2.6
151.11322	2.9
153.09198	0.7
153.12883	3.5
155.14424	1.6
163.11250	0.7
164.86618	0.6
165.12761	1.7
167.10767	1.0
169.12337	1.3
171.10223	1.0
171.13869	1.2
172.08693	0.6
181.12299	3.2
183.13882	1.4
191.10770	0.9
197.11818	10.1
198.12160	0.9
199.13399	29.4
200.13699	1.0
209.11809	4.6
215.12849	3.7
227.12880	100.0
228.13229	8.5
229.14424	10.7
230.14696	1.0
245.19026	1.5
262.75232	0.7
263.20239	1.0
289.18082	2.9
297.20682	0.9
307.19116	14.3
308.19479	1.7
311.11633	0.9
325.09637	1.3
325.20212	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50174	0.9
57.03440	1.4
58.00581	4.7
59.01369	3.3
62.06817	0.8
70.93015	1.9
84.02172	1.5
95.05006	1.4
96.63398	1.0
97.06568	1.7
113.06055	3.2
115.07629	3.1
123.90892	0.8
127.07674	6.2
151.11296	9.2
153.12849	10.1
155.14377	2.8
163.11261	1.1
165.12796	2.0
169.03899	0.9
169.12340	1.7
171.10249	2.0
171.13864	1.4
171.55530	0.8
181.12332	2.8
183.13896	2.4
197.11795	14.8
198.12126	1.6
199.13387	31.7
200.13676	2.4
209.11784	5.7
211.13359	1.1
215.12837	9.0
227.12868	100.0
228.13156	6.5
229.14415	31.7
230.14787	2.0
245.19026	2.3
263.20114	3.0
268.43106	1.2
281.21207	1.6
289.18045	3.5
297.20700	2.8
307.19086	13.4
308.19531	1.3
325.14676	1.7
325.20242	8.3
326.09888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2016
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
56.28410	1.6
59.01382	13.4
60.92807	1.7
63.19732	1.9
71.01382	2.4
93.33125	1.8
98.20684	7.0
101.02460	1.7
104.97576	1.6
121.02968	2.2
122.03732	4.7
159.84114	2.1
167.14421	8.4
177.09650	2.1
193.15991	4.5
207.17662	4.8
228.10519	2.9
249.18570	33.5
250.19005	4.1
275.16544	23.5
276.17023	2.6
281.21286	7.8
293.17563	100.0
294.18024	9.6
307.19281	5.1
311.11694	5.1
325.20239	96.0
325.23779	7.8
326.20593	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68189	1.5
57.03444	8.8
59.01385	7.3
63.63980	1.4
68.71237	1.5
69.03447	4.4
70.32310	4.7
71.01381	4.4
71.05026	8.9
75.96686	1.4
80.02683	2.8
81.03486	2.6
83.05021	5.6
85.02963	1.5
85.06582	2.1
87.04511	4.3
95.05013	3.4
97.02940	4.3
97.06584	6.0
98.19972	2.2
107.05045	2.7
109.06596	28.7
125.06104	2.3
127.07642	2.1
151.11357	1.5
163.11357	2.1
167.10759	2.7
167.14365	1.8
169.12379	9.1
177.12857	2.0
181.12337	7.1
183.13817	4.2
193.12347	3.6
195.13905	2.1
197.11821	52.8
198.12231	3.7
199.13425	3.1
201.11250	4.4
211.13394	46.9
212.13728	3.7
223.13484	1.6
227.12851	3.3
235.13318	8.9
237.14960	25.6
245.19186	2.1
249.14963	2.7
278.99017	1.4
289.18063	16.0
307.19113	6.0
325.20172	100.0
326.20441	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	325.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42310	1.5
53.03095	1.3
55.01849	1.4
57.03451	8.8
59.01358	6.1
61.53568	1.7
65.03957	2.4
67.01889	1.8
69.03437	4.7
70.84177	3.7
70.84534	1.5
71.05016	7.1
74.01295	1.3
79.05527	4.2
80.02686	1.7
81.03434	4.1
83.01402	1.7
83.05018	11.9
84.02175	3.5
85.02931	3.2
85.06584	3.6
87.04497	2.0
95.05022	10.1
97.02916	2.7
97.06595	15.5
101.86685	1.7
106.04244	1.8
109.06626	3.6
111.04519	4.3
111.08131	1.5
113.06046	4.4
115.07619	4.9
120.05765	1.7
121.06574	4.5
123.04516	4.5
123.08125	6.7
125.06069	2.6
125.09716	8.2
135.08124	4.7
137.09727	3.7
147.08586	1.4
151.11272	2.4
153.09171	2.9
155.10838	1.6
163.11244	5.2
165.09180	1.7
165.12859	2.6
167.10681	1.5
171.10260	35.9
172.10623	1.6
175.11349	2.0
177.12819	1.8
179.10754	1.9
181.12341	2.8
185.11810	6.6
191.14464	3.8
193.12305	6.3
195.13972	2.3
197.11853	1.7
197.33211	1.7
205.15932	6.3
207.10260	2.9
209.11784	21.4
211.13391	13.0
213.54120	1.6
223.13467	1.8
225.11232	2.8
227.12820	3.7
235.13319	3.0
237.14912	2.2
245.19049	9.7
249.14952	19.2
250.15269	2.2
267.16003	6.9
271.16971	3.0
289.18045	16.9
290.18491	3.0
307.19037	11.4
325.20157	100.0
326.20444	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	325.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
59.01378	100.0
61.32526	0.8
62.09177	0.7
66.12012	0.7
71.01382	17.0
73.02950	20.5
75.00910	0.9
75.90012	0.8
83.01402	3.5
85.02969	2.6
89.02461	3.6
101.02448	12.4
113.02425	5.1
125.02428	0.8
131.03528	1.3
177.67845	1.0
181.28090	0.8
226.53598	0.7
311.11591	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33925	0.7
59.01379	100.0
60.01714	1.7
71.01380	4.8
73.02959	1.9
83.01405	1.0
85.02971	2.2
89.02455	2.6
95.01379	0.7
101.02423	3.3
113.02441	5.4
117.03465	0.7
119.03554	1.1
119.04991	0.5
172.85170	0.6
229.29774	0.6
239.03581	1.4
267.03076	1.7
267.06897	0.8
268.03815	1.2
269.04453	1.9
270.05023	0.8
281.04599	1.2
282.05457	2.2
292.94449	0.6
311.11789	2.1
325.07382	2.3
326.10468	0.7
326.13959	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	323.2225
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
56.67288	0.4
59.01450	3.7
61.98903	1.1
71.21541	0.5
71.55630	0.9
71.98414	0.7
78.72449	0.5
79.95822	2.4
91.66127	0.4
95.23330	0.5
96.96116	1.5
123.04610	1.3
137.06146	0.9
137.09758	0.7
165.09302	1.5
165.12932	1.6
167.14458	0.7
179.50694	0.6
191.14520	0.5
199.65091	0.5
261.22168	4.5
265.14688	1.2
279.23398	0.8
287.20105	1.2
305.21188	100.0
306.21536	9.7
323.05518	0.6
323.16071	0.7
323.18854	1.6
323.22223	18.9
324.12048	0.7
324.22635	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	325.0927
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
52.99586	0.3
69.75839	1.8
78.40731	0.3
93.03452	0.4
117.03484	0.4
119.05022	100.0
120.05367	4.9
138.15738	0.4
140.41490	0.3
151.93546	0.3
155.25774	0.4
163.04001	79.1
164.04338	4.1
297.58865	0.4
328.67548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21952	0.4
69.65548	1.0
69.65981	1.3
93.03477	0.6
97.31575	0.4
98.20592	0.6
119.05019	100.0
120.05346	4.5
163.03998	75.4
164.04330	3.8
172.99193	0.4
188.76418	0.4
195.73216	0.4
236.19499	0.4
267.67224	0.3
325.09253	0.4
325.14233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2224
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
50.75037	0.4
57.03370	0.6
59.01319	5.0
61.98794	0.5
70.69435	1.0
70.69788	0.8
97.06532	0.6
97.63436	0.4
108.83907	0.5
123.04458	0.9
128.74557	0.6
137.06035	1.4
137.09608	0.6
162.14056	0.5
165.09126	1.8
165.12785	1.6
167.14377	0.6
182.17531	0.5
189.12796	0.8
191.14252	0.5
193.12338	0.7
198.08786	0.6
217.15935	0.7
235.13406	0.7
261.22180	4.6
263.11020	0.5
287.20135	1.1
305.21188	100.0
306.21512	9.7
323.18494	1.1
323.22250	21.7
324.22549	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	15.1
59.01379	84.8
61.98816	6.3
65.03941	5.7
69.03451	7.0
71.01366	6.1
71.05017	29.1
71.56622	5.8
73.02955	5.7
80.02664	7.4
80.66727	4.5
81.03451	14.9
83.01389	20.4
83.04997	25.7
85.02967	11.8
85.06589	6.3
90.71056	5.0
93.03465	6.6
95.05025	63.5
96.95988	7.6
97.02971	6.8
97.06603	28.6
99.04518	16.7
107.05022	5.1
107.08672	4.9
107.27686	5.2
109.06594	16.0
113.02474	6.6
113.06083	16.9
115.63004	4.9
121.02950	14.3
123.04533	11.2
123.08173	44.1
125.09711	47.8
130.08745	17.0
131.09102	8.8
133.06578	7.7
135.08173	30.3
149.09755	8.1
151.07657	23.4
152.08055	6.2
161.09734	7.1
163.11235	8.3
165.12869	6.3
167.10719	6.9
171.10260	48.6
181.12250	5.7
185.11732	23.1
189.12804	10.7
191.10767	7.7
199.09740	9.8
203.14479	15.8
209.11806	100.0
213.11351	13.6
219.10223	17.6
223.13370	27.0
235.13286	6.2
237.11456	7.2
237.14861	8.4
243.17490	17.5
247.13373	10.3
249.14842	12.9
265.14508	48.3
269.47018	5.5
287.16541	38.5
305.17569	64.1
306.17734	7.7
323.05515	11.1
323.15149	7.4
323.18497	90.5
324.12527	11.4
324.15857	11.7
324.19064	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	323.186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72974	2.0
57.03442	25.8
59.01377	32.2
69.03417	3.2
69.05233	1.9
71.01357	5.9
71.05029	14.6
80.02674	3.3
81.03451	5.7
83.01385	9.7
83.05016	11.7
85.02942	5.0
93.03470	3.7
95.05023	22.1
96.96014	4.5
97.06570	9.9
98.20709	5.5
99.04492	2.8
101.06070	4.7
106.04189	2.4
107.05037	4.0
108.02139	3.1
109.02943	3.2
109.06582	13.4
111.04491	3.4
113.02393	2.5
113.06081	9.2
121.02895	3.9
121.06593	4.0
123.04504	3.1
123.08126	7.0
125.06049	2.7
125.09712	13.3
135.08148	9.0
137.09694	2.8
149.09749	3.0
151.11250	4.4
160.91200	1.9
163.11247	7.0
165.12787	4.9
165.40527	2.1
167.10748	5.6
171.10249	5.5
177.12924	4.6
179.10756	2.8
181.12297	4.7
182.43097	2.4
185.11771	12.8
189.12810	6.6
191.10791	5.4
193.16045	2.2
195.13840	5.0
203.10715	4.4
203.14357	6.5
209.11819	73.7
210.12212	5.0
221.11824	4.4
230.16159	2.2
235.13173	2.6
237.14952	100.0
238.15192	8.0
243.17480	9.4
247.13339	5.6
249.14844	6.3
261.18567	2.3
265.14404	17.4
287.16516	37.3
288.16724	3.9
305.17563	60.9
306.17847	4.0
323.05521	5.1
323.12207	3.1
323.18558	29.6
324.12390	2.9
324.18390	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	19.1
59.01380	27.8
61.98827	3.1
70.84264	6.7
71.01394	3.5
71.05015	22.9
81.03426	7.0
83.05010	5.8
95.05019	79.5
96.96001	3.5
97.06583	16.6
97.93597	2.2
99.00890	2.3
107.05031	3.8
109.06590	34.1
121.02969	3.8
121.06581	2.9
123.08146	4.3
125.05954	3.1
125.09711	26.3
127.11319	3.0
133.06531	2.2
135.08156	35.2
137.06088	2.6
151.07582	9.1
151.11322	3.0
163.11287	8.1
165.01874	2.8
165.12805	2.6
171.10257	81.3
172.10556	3.8
177.12810	3.8
179.14362	7.3
185.11823	16.8
189.12837	9.6
207.10243	10.6
209.11749	12.0
211.13310	3.6
223.13380	100.0
224.06949	2.4
224.13699	10.2
233.11787	8.7
249.15028	20.1
263.16635	6.3
265.14490	23.6
266.14606	3.3
287.16498	6.1
298.22852	2.8
305.17590	29.0
323.18494	7.3
324.12531	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	19.1
59.01377	21.1
65.03966	2.5
68.83683	1.5
69.03443	1.7
69.95007	9.6
70.16415	1.8
71.01387	2.8
71.05016	15.8
73.02943	2.9
78.58038	1.8
80.02671	2.3
81.03452	4.6
83.05043	8.8
95.05024	77.3
96.05350	3.0
96.95999	2.8
97.06585	14.6
107.05032	3.3
109.06579	26.2
119.05046	2.2
121.02955	2.4
121.06602	5.5
123.08167	6.5
125.06070	3.7
125.09717	37.4
135.08156	43.0
139.07599	3.8
149.09724	1.7
151.07631	7.2
151.11272	3.5
153.55325	2.0
163.11264	6.1
171.10252	44.7
172.10600	2.3
172.80486	2.0
177.12785	3.4
179.14401	7.8
185.11803	18.2
189.12831	5.5
207.10309	8.8
209.11848	11.8
211.13408	4.9
221.45348	1.7
223.13385	100.0
224.13731	4.7
225.26474	1.7
233.11787	6.2
235.13301	5.3
243.17511	3.0
247.13443	2.6
249.14952	12.6
263.16531	7.2
265.14444	29.3
268.07196	3.1
287.16528	8.1
305.17542	26.5
306.17828	2.7
323.12619	11.5
323.18637	7.5
324.12573	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
69.65047	45.4
71.01355	14.0
74.02451	15.4
78.01182	10.8
85.02948	13.5
87.57165	11.5
96.96027	13.6
98.19892	18.6
119.21638	10.3
121.65898	10.6
130.72125	10.2
148.07703	17.4
151.07631	14.6
160.39134	12.7
166.54254	13.0
191.83076	12.9
198.19818	12.7
215.65729	11.2
269.58017	10.9
287.16437	15.2
295.06439	15.9
309.10245	16.0
313.51535	16.1
317.71033	13.1
323.05444	35.7
323.09180	16.2
323.12842	39.0
323.18686	22.4
324.12274	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14771	0.7
52.80397	0.4
59.01377	100.0
60.01727	0.8
66.70715	0.5
70.21481	0.5
71.01391	2.2
71.57816	0.5
73.02972	0.8
85.02948	0.9
93.22526	0.5
96.96002	1.1
101.02458	1.6
104.84872	0.5
113.02470	0.7
129.42154	0.5
140.67102	0.5
161.04526	0.7
195.04918	0.9
263.14972	4.5
272.00204	0.5
295.06296	1.0
323.05646	3.1
324.12451	0.7
329.62613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	3.3
59.01376	93.3
60.01688	1.2
64.67317	0.9
68.72812	1.0
70.74841	2.5
71.01379	46.2
72.86040	0.9
72.99293	2.2
73.02943	2.9
83.01376	2.2
85.02959	8.6
87.00874	1.5
89.02440	51.9
90.02776	1.0
95.01385	3.3
99.08167	1.3
101.02442	30.9
107.82537	0.9
113.02453	20.0
119.03494	24.9
131.03488	2.6
143.03488	2.6
149.04547	9.6
157.88722	0.9
161.04514	1.4
179.05571	2.2
203.48927	1.0
234.16000	1.0
323.13440	100.0
324.13849	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	323.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
58.00583	3.0
59.01376	89.8
59.72313	1.0
60.01718	1.2
63.64755	1.1
70.01862	3.2
70.02266	1.8
71.01376	44.5
72.01701	1.3
72.99292	2.9
73.02931	1.4
79.00054	1.0
83.01381	1.5
85.02934	8.6
87.00844	1.5
89.02437	48.3
95.01358	4.4
96.95992	1.5
101.02441	27.5
101.19989	0.9
106.68869	0.9
113.02450	17.4
114.01961	3.9
119.03490	22.4
131.03491	2.2
131.74081	0.9
143.03499	1.9
150.36031	0.9
161.04601	1.9
174.04025	1.2
179.05533	2.3
323.13452	100.0
324.13800	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	323.1285
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
51.16745	0.3
52.68559	0.2
53.57259	0.3
59.01367	0.8
60.72243	0.2
64.61149	0.2
65.03953	0.8
68.33169	0.3
70.93018	0.5
79.05526	0.5
80.02645	0.3
89.03945	0.7
91.05560	0.4
93.03461	0.5
106.31054	0.3
107.05016	1.1
108.02184	2.8
109.02952	2.9
109.06585	3.2
117.03452	1.1
121.02953	6.1
122.03739	2.2
123.04545	0.6
133.02954	7.5
133.10297	0.4
134.03253	0.3
135.04482	1.0
145.02951	4.7
146.03735	2.8
147.04442	0.3
157.10201	0.7
158.03722	0.6
159.04494	0.6
171.04431	0.3
171.08113	0.3
175.07619	0.5
177.09193	4.8
178.02701	0.4
185.06070	1.2
186.06837	0.4
189.09212	1.3
195.08148	0.4
197.06062	0.9
198.06796	0.5
199.07613	0.5
201.09180	3.5
202.09596	0.3
208.05208	0.4
209.06087	1.8
210.06761	0.5
211.03986	1.1
211.07651	0.5
212.04626	0.4
213.05521	0.8
213.09132	0.4
221.06041	0.6
222.06769	0.4
223.07652	2.1
224.08325	0.8
225.05550	2.8
226.06273	0.4
235.07681	0.8
236.08423	0.8
237.05550	1.2
238.06288	0.5
239.03505	0.5
239.07104	1.4
240.04143	0.4
240.07872	0.8
249.05540	0.3
249.09206	0.3
251.07085	0.8
252.04134	0.3
253.05042	6.2
253.12306	0.3
254.05801	6.8
255.06483	0.8
255.13745	0.4
262.06155	0.3
263.10709	0.3
265.05035	4.1
266.05682	0.4
267.06577	4.8
268.07376	8.8
269.07892	0.6
279.06702	2.3
279.13782	1.7
280.07361	5.7
281.07654	0.5
281.11749	1.1
295.13388	0.6
300.06339	0.9
305.11853	0.5
308.10510	4.5
309.10825	0.7
321.11194	0.5
323.12854	100.0
324.13171	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	322.2021
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.14614	0.2
53.26725	0.2
58.02979	1.8
58.39436	0.2
59.01373	0.8
70.92906	0.4
76.48612	0.2
81.03469	0.6
83.05020	0.3
91.59531	0.2
93.31496	0.2
95.05036	0.8
97.06592	0.5
106.77679	0.2
109.06571	0.6
112.34377	0.2
119.76737	0.2
128.10812	7.0
129.11172	0.4
130.08730	100.0
131.09088	3.2
145.56966	0.2
165.12808	1.0
172.09804	0.4
278.21054	0.2
322.20193	35.2
323.20541	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	323.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50959	1.0
57.07481	1.0
59.01375	19.2
65.08047	1.1
69.17042	8.3
69.17464	3.4
71.01373	11.8
73.02939	12.4
75.00883	1.0
85.02961	2.2
87.00863	3.2
89.02441	35.1
90.43844	1.2
92.30946	1.1
98.20622	2.0
99.00903	1.3
101.02436	5.1
103.04013	1.6
113.02447	3.0
114.01958	6.2
115.00352	1.4
117.01929	16.2
119.03517	2.5
127.32522	1.0
131.03490	8.0
149.04546	100.0
150.04874	3.4
161.04486	1.3
174.04048	2.3
198.03217	1.1
323.08786	3.5
323.13400	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	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.1
59.01377	100.0
60.01702	1.6
69.56738	6.4
71.01371	3.9
89.02430	3.8
96.95985	1.6
98.20607	2.1
98.55169	1.0
101.02428	2.6
113.02452	1.3
119.03442	1.5
129.02003	1.0
133.68074	1.0
134.06128	1.3
134.39056	1.0
136.07661	11.4
137.06085	1.6
137.07942	1.3
138.05566	1.6
142.32761	1.0
173.11789	2.0
201.47360	1.0
206.32890	1.1
208.46233	1.0
259.14481	3.0
300.32803	0.9
321.04010	2.1
321.14618	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48705	0.7
59.01379	100.0
60.01710	0.7
71.01385	2.0
76.08726	0.7
80.05096	1.2
85.02991	1.4
89.02457	3.2
94.57372	0.9
96.96013	1.4
99.00898	1.2
101.02466	1.4
119.03542	1.4
122.06224	0.7
124.34042	0.7
129.31502	0.7
136.07713	1.4
146.09883	0.9
160.11317	0.8
167.05936	1.6
188.10866	0.8
202.99857	0.9
204.10333	1.3
262.10904	2.1
321.04187	2.4
321.10684	1.4
322.12982	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	322.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65401	1.7
58.00580	2.6
59.01378	69.2
61.87157	1.7
61.98833	3.5
70.02978	5.4
71.01000	3.2
71.01379	39.6
72.99290	5.2
73.02956	2.3
82.02980	5.1
84.04533	7.5
85.02949	8.5
86.02486	6.2
87.00844	2.4
89.02444	34.7
93.03437	2.4
94.03796	2.2
95.01350	4.5
96.96009	35.6
97.02913	2.2
99.00844	3.0
101.02449	25.4
109.02920	3.4
113.02444	16.2
114.01973	45.5
114.05614	3.2
119.03526	16.3
121.02937	4.9
122.03728	20.5
123.04535	40.8
124.00426	2.6
126.01903	2.5
128.03511	4.7
135.04521	48.6
136.04861	2.0
137.02431	5.5
149.06050	21.7
150.05594	2.3
154.02649	5.3
161.04480	4.6
162.05595	6.7
174.04054	12.4
176.07115	7.6
178.08731	28.7
179.04507	3.2
206.08206	9.1
224.10628	2.0
250.07179	100.0
251.07442	8.4
262.05957	2.3
263.06717	4.5
278.14908	1.9
304.14105	2.3
322.08463	6.4
322.14099	2.5
323.08630	11.5
323.13266	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	322.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.3
61.98808	2.5
71.01375	3.7
71.16580	2.1
80.96478	0.9
86.35320	1.1
87.00830	1.4
89.02427	1.1
94.73029	1.0
96.96011	10.9
98.02480	1.2
98.95591	1.0
112.98835	0.9
114.01956	2.4
115.00341	2.4
123.05537	1.0
131.06909	1.3
131.21640	1.0
136.02261	1.4
144.04515	2.0
145.07634	2.6
149.07182	1.2
157.05273	1.5
161.02397	1.0
163.00928	2.6
173.62784	1.1
174.07961	4.0
175.05971	1.7
176.01767	2.4
177.02527	17.3
178.03310	15.3
179.03418	1.5
181.03853	1.4
182.05148	2.8
183.05960	9.4
190.05153	1.3
191.05469	1.2
192.01244	8.5
193.04414	1.3
205.04370	11.6
206.04979	3.2
207.05954	100.0
208.06256	7.4
209.01453	1.9
209.08002	2.0
217.08521	1.3
232.05219	1.3
233.03889	9.7
250.06522	66.9
251.06766	3.2
278.09610	4.6
303.83978	1.2
322.08612	80.7
323.08829	8.4
323.12048	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	321.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00522	0.6
59.01376	7.0
68.79670	0.7
69.62068	2.7
69.62478	1.5
71.01376	1.7
73.02928	0.8
82.02972	1.1
82.06624	1.6
84.04539	0.8
85.02931	1.7
89.02419	1.1
93.03467	7.0
93.16475	0.6
94.02974	1.1
96.96011	11.7
96.99286	0.8
98.19793	0.7
101.02411	1.1
106.06606	1.8
108.04542	2.4
110.06093	3.8
113.02460	1.8
119.05029	1.8
121.05344	2.4
122.06113	6.4
127.00231	0.8
132.04477	0.8
134.06114	14.7
135.06912	6.5
136.04019	0.9
136.07687	8.1
137.02448	7.5
137.04800	1.6
138.05602	4.3
140.06071	1.5
140.07167	28.7
149.04834	6.6
150.05588	4.9
152.07111	3.4
159.00648	1.6
162.05606	15.7
163.04008	1.0
163.06331	1.5
164.03517	11.5
164.07167	12.9
166.05080	7.1
167.05876	5.7
178.05046	1.1
200.07085	0.9
211.23013	0.6
230.11873	0.9
243.11353	0.9
255.11386	1.5
261.12323	4.2
273.12460	4.0
275.13998	0.8
285.12524	0.8
303.13470	100.0
304.13776	9.4
314.80826	0.8
321.06436	1.1
321.10541	3.4
321.14612	11.8
322.14706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01722	0.6
67.46584	0.3
69.40092	2.8
71.01389	1.9
72.86225	0.4
77.60249	0.3
89.02443	4.0
96.96008	0.4
101.02438	1.2
113.02460	1.2
119.03465	1.8
133.25668	0.4
161.38358	0.4
179.05597	1.1
311.95847	0.4
321.04138	0.5
325.48618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45400	0.6
58.16061	0.5
59.01380	100.0
60.01713	1.4
63.97367	0.6
70.43785	2.2
71.01377	3.8
73.02950	0.6
85.02934	0.7
89.02431	4.1
96.96018	1.6
98.20533	0.7
101.02467	2.1
103.34491	0.6
113.02438	1.4
119.03501	1.5
125.35394	0.6
155.02908	0.6
206.30281	0.6
260.47336	0.6
266.20505	0.7
284.90329	0.7
290.89868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.7
61.98835	0.3
65.55019	0.3
71.58418	0.3
73.96996	0.3
79.64317	0.3
101.02477	0.3
107.13323	0.3
116.05050	0.8
117.05379	1.6
141.81187	0.3
197.90875	0.3
203.09021	0.8
237.05577	1.3
262.76868	0.3
265.05048	2.3
266.05801	14.4
267.06152	1.5
298.04800	28.9
299.05099	2.2
305.08173	0.5
306.09103	0.3
308.02512	0.4
321.11282	100.0
322.11600	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	321.113
Annotation	3,4-Didehydroglabridin
Peak:m/z	Relative Intensity
59.01379	9.4
63.85732	0.6
64.82179	0.6
65.03957	1.3
71.01380	0.9
71.02431	0.7
71.02775	0.8
71.05028	0.6
79.05518	2.3
84.48491	0.6
96.96020	1.5
105.07114	1.6
107.05018	8.2
108.02176	1.1
109.02955	1.7
111.04537	1.2
117.03442	1.3
121.02951	2.9
129.07059	0.8
133.02982	4.5
145.02940	4.3
146.03613	0.6
157.06590	1.0
159.04446	1.1
163.09618	0.5
166.34169	0.6
175.07634	7.5
176.66780	0.6
185.06027	1.1
187.07677	0.8
199.07590	4.7
213.05588	0.7
251.10637	0.8
261.09137	1.0
265.05005	0.7
266.05737	1.0
266.92624	0.7
275.10825	0.8
277.12302	2.1
291.06555	1.4
293.11740	0.8
303.10266	1.2
305.08185	2.8
306.08963	6.6
307.09088	0.7
321.11288	100.0
321.20184	3.0
322.11682	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	321.1129
Annotation	Bauhinoxepin A
Peak:m/z	Relative Intensity
53.81386	0.3
55.30043	0.3
56.36761	0.3
59.01384	1.5
70.14300	0.7
71.75429	0.3
72.05116	0.3
92.12376	0.2
115.39404	0.2
134.38538	0.3
161.02501	0.3
170.92145	0.3
186.08302	0.3
219.41110	0.3
237.05513	1.2
253.05089	0.6
265.05109	2.5
266.05817	16.9
267.06168	1.1
298.04810	28.1
299.05148	2.9
305.08273	0.5
306.08997	0.3
321.11292	100.0
322.11612	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	321.1089
Annotation	Brachystemidine C
Peak:m/z	Relative Intensity
53.97424	1.4
58.70227	1.2
59.01377	13.0
61.05541	1.3
66.03460	2.0
66.31372	1.2
71.01370	2.4
71.56539	1.9
80.05057	5.2
82.06628	4.4
84.04545	14.6
85.02948	1.4
85.04043	2.1
86.02460	4.5
89.02436	2.3
91.89635	1.5
92.05052	23.7
94.02985	4.5
95.03783	3.0
95.05027	3.9
96.00910	2.3
96.04548	5.4
96.96000	3.8
97.01686	9.8
97.22360	1.6
98.36198	1.3
108.04565	3.2
110.06106	44.0
111.06524	1.6
111.08154	6.3
112.04032	3.4
115.00363	3.6
122.06111	51.0
123.03269	2.7
123.06440	3.4
124.04038	4.7
128.03539	6.1
129.01955	1.6
129.03912	1.9
136.04027	42.9
136.05035	2.6
138.05602	3.7
147.03120	1.5
157.06177	3.3
158.06497	1.6
173.08212	7.2
173.09633	1.4
181.03792	8.5
203.11842	20.1
215.11754	8.0
247.10861	39.8
248.11165	3.3
259.10825	35.7
260.11221	2.3
277.12003	3.8
303.09784	2.5
321.10873	100.0
322.05322	2.0
322.11349	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	320.0774
Annotation	Furomegistine I
Peak:m/z	Relative Intensity
59.01367	3.9
61.98814	0.8
68.99815	6.7
69.72321	1.6
69.72728	2.3
71.01385	4.9
72.99290	0.7
82.02950	0.8
85.02927	1.4
85.04070	5.5
86.02461	2.9
87.05635	0.8
88.04032	1.3
89.02401	0.7
93.03432	3.2
96.96003	2.9
96.99311	5.5
99.00867	1.0
101.02409	1.8
101.06124	0.7
102.00124	0.9
113.02429	1.5
114.01982	1.5
119.02789	1.4
120.01220	1.2
126.21502	0.8
127.05107	1.9
128.02711	1.0
128.03543	12.3
128.44279	0.6
134.06090	0.9
134.73651	0.7
135.04489	2.5
135.05518	0.7
137.02405	2.8
137.06009	0.9
140.07124	0.7
140.60727	0.7
147.03336	1.0
147.04504	14.0
149.06007	0.9
151.00333	1.6
152.08311	1.2
153.05460	0.8
157.06183	7.4
158.06088	0.8
160.04042	4.7
161.04628	2.1
161.06062	1.9
162.05594	76.1
163.05954	3.9
166.06219	1.3
174.02208	2.4
174.05585	1.5
176.04800	0.8
176.07179	11.5
177.07385	0.7
179.04518	1.2
188.07124	3.4
191.04884	1.2
196.07219	1.9
204.06580	1.7
216.06639	14.3
217.06898	0.8
232.06148	15.6
233.06413	1.8
254.16475	0.7
260.05624	67.2
261.06024	3.7
268.09265	1.1
286.10303	2.8
302.07999	1.0
303.13464	4.5
317.75479	0.8
320.07675	100.0
321.07925	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	321.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26061	0.9
54.11416	0.9
59.01381	10.9
61.98821	1.5
68.36196	1.0
71.01378	4.6
71.27203	1.9
72.53782	0.9
73.02935	2.2
85.02940	2.8
86.28501	0.9
87.00876	1.2
89.02431	1.8
93.03453	11.6
96.96008	15.4
99.00896	1.8
101.02427	3.3
106.06606	1.4
108.04557	2.5
110.06096	4.3
111.46097	1.0
113.02425	3.0
119.04987	1.2
120.01241	1.2
122.06113	6.6
123.04537	2.5
128.03493	1.3
134.06120	14.5
134.17577	1.1
135.04550	1.2
135.06903	7.1
136.04045	1.2
136.07693	6.9
137.02444	12.3
137.04837	1.3
138.05617	2.1
140.07172	30.0
140.08215	2.3
146.06198	1.1
149.04814	5.3
149.05846	1.1
150.05624	6.2
152.07187	3.4
153.03053	1.1
157.06194	1.2
159.00621	2.9
159.10182	1.1
160.04008	2.0
161.04526	1.1
162.05608	12.9
163.03995	1.7
163.06107	1.7
164.03540	10.3
164.07149	12.6
166.05103	8.8
167.05902	6.5
173.08185	1.8
208.48973	1.0
244.29057	1.1
245.15822	1.0
255.11354	2.3
260.12976	1.4
261.12521	5.1
273.12457	3.6
276.28860	1.0
285.12393	1.5
303.13483	100.0
304.13867	9.7
321.06989	1.6
321.10422	4.4
321.14648	13.4
322.08694	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	88.9
59.85369	0.7
60.01715	0.9
69.40398	5.7
71.01366	1.8
73.02949	0.8
75.00871	0.9
78.32508	0.7
85.02901	1.0
85.99932	0.7
91.04037	1.0
96.96009	11.9
119.05066	0.7
165.12843	5.9
183.13887	51.2
184.14287	3.4
185.11812	75.2
186.12151	3.8
199.13512	0.8
211.13362	5.3
227.12851	6.9
229.14415	1.9
245.13921	22.9
246.14348	1.8
298.05435	0.9
301.16507	4.8
319.08582	4.7
319.17609	100.0
319.21136	8.7
320.09036	1.4
320.17972	8.6
320.21292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1759
Annotation	bhos#10
Peak:m/z	Relative Intensity
59.01375	88.9
59.85369	0.7
60.01715	0.9
69.40398	5.7
71.01366	1.8
73.02949	0.8
75.00871	0.9
78.32508	0.7
85.02901	1.0
85.99932	0.7
91.04037	1.0
96.96009	11.9
119.05066	0.7
165.12843	5.9
183.13887	51.2
184.14287	3.4
185.11812	75.2
186.12151	3.8
199.13512	0.8
211.13362	5.3
227.12851	6.9
229.14415	1.9
245.13921	22.9
246.14348	1.8
298.05435	0.9
301.16507	4.8
319.08582	4.7
319.17609	100.0
319.21136	8.7
320.09036	1.4
320.17972	8.6
320.21292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.4
57.03456	4.6
58.00584	3.3
59.01378	59.1
60.01702	0.8
61.85444	0.7
65.03930	0.8
71.01382	62.3
72.01709	1.4
72.99306	6.3
73.02946	31.6
75.00854	1.6
75.54089	0.7
80.18712	0.7
83.01386	19.2
83.01881	1.3
85.02950	41.5
86.00098	4.2
87.00876	4.3
87.62186	0.8
89.02448	10.7
90.13986	0.7
95.01382	3.9
97.02940	2.2
98.19849	1.4
99.00884	13.3
100.52374	0.7
101.02441	100.0
102.02784	2.2
109.02952	10.7
111.00881	2.0
113.02448	26.3
119.03528	3.8
125.02402	0.9
129.01949	1.0
143.03511	1.8
155.14398	1.5
159.02969	3.3
161.04558	11.3
165.01926	2.1
179.14427	2.6
181.05095	1.0
189.37605	0.8
227.16429	1.4
228.99472	1.1
263.26343	0.8
287.85443	0.8
302.03162	1.0
319.21231	31.8
320.21939	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01068	0.7
58.02969	4.9
59.01372	3.3
69.27006	7.1
72.00904	4.9
82.06628	2.1
91.05532	7.3
94.89503	0.7
98.20593	1.4
112.07668	2.4
118.06596	2.7
126.09222	1.4
129.10338	56.6
130.10709	1.6
147.04518	23.6
153.10335	2.8
154.08714	8.7
157.64708	0.7
160.38281	0.7
164.07155	53.2
165.07468	2.8
171.11388	43.3
172.00395	1.8
172.11768	1.8
232.02440	0.8
233.16565	28.2
234.16878	3.5
244.72141	0.8
260.02148	5.5
271.09000	0.7
275.17554	4.5
277.15604	2.8
292.04688	1.6
319.16595	100.0
320.04144	2.8
320.16898	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	319.082
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
59.01371	2.4
62.64152	1.1
65.03949	2.4
69.83104	3.0
69.83514	3.2
71.01366	2.5
73.02947	1.3
75.00857	1.8
81.03446	2.9
83.05022	11.4
85.02978	2.1
93.03455	74.4
94.03818	2.7
96.96023	5.4
109.02979	1.8
111.04514	41.1
112.04832	1.7
117.03461	9.2
119.05021	100.0
120.05360	2.5
121.02940	3.2
128.10789	1.8
135.02953	1.3
137.01453	2.0
137.02435	26.0
145.02963	12.2
155.03494	52.8
156.03807	1.6
163.04008	93.6
164.04355	3.7
165.04031	1.5
173.04521	5.1
319.08551	6.1
319.11560	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	319.0821
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
59.01377	0.6
65.03957	1.1
69.03497	0.6
69.61285	1.0
69.61687	2.6
71.01379	0.7
73.02949	1.9
81.03454	1.7
83.05029	5.9
85.02958	0.5
93.03455	37.3
94.03787	1.4
96.95978	0.4
97.84586	0.5
99.04535	0.7
109.02960	0.7
111.04523	11.2
112.04878	0.6
117.03456	5.8
119.05022	100.0
120.05352	3.5
137.02440	27.4
138.02797	0.7
145.02098	0.4
145.02948	21.2
155.03491	25.2
156.03798	1.2
163.03999	99.5
164.04353	5.4
173.04515	1.0
257.12875	1.0
319.08221	21.0
319.21194	4.4
320.08691	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	318.055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95196	1.0
59.01376	6.5
61.98843	1.5
69.25066	9.9
71.01371	3.1
89.03367	1.3
102.05608	1.3
114.01962	5.9
135.04451	1.8
141.04568	4.0
145.04045	3.2
162.00174	1.7
162.41330	1.2
163.00916	3.2
169.04053	47.3
170.04863	19.4
171.05626	3.3
173.01770	4.4
174.00136	1.3
178.02049	3.1
179.02811	3.1
181.01413	1.4
182.01744	1.7
188.00433	10.0
201.01266	27.8
202.02063	9.0
203.02826	100.0
204.03107	5.2
212.04620	6.3
213.05328	2.0
228.02374	1.7
229.00752	29.8
230.00876	1.4
231.02284	1.4
246.03395	72.1
247.03670	4.6
253.48245	1.4
274.06543	4.9
285.04111	1.5
302.22458	1.2
318.05499	64.4
319.05765	5.0
319.16187	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	319.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13974	0.8
55.21292	0.8
59.01385	1.4
67.79487	0.8
68.99569	75.2
69.92393	3.5
73.57712	0.8
85.02906	0.9
94.29875	1.0
112.98565	100.0
116.05038	2.9
117.05408	2.3
128.03532	1.0
135.04546	1.7
148.07678	2.4
149.07965	2.5
150.04182	3.7
151.00366	0.9
156.00636	0.9
197.11633	1.6
197.35379	0.8
220.89091	0.8
221.26860	0.8
221.61935	0.8
224.78865	0.9
233.69136	0.9
243.38181	0.8
275.85406	1.0
282.08322	1.8
283.08640	1.0
319.06659	4.8
319.13672	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	317.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94750	1.0
55.01878	1.2
57.03449	2.1
59.00121	0.9
59.01385	7.8
66.10975	0.9
71.01381	3.6
71.05014	6.3
71.55742	1.2
75.98615	1.0
83.05005	1.4
84.02134	1.3
89.02443	3.1
91.04002	6.4
97.02940	5.1
97.06594	4.2
99.00880	27.1
107.16837	1.1
109.06576	1.4
110.03725	1.3
123.08150	2.5
125.09720	11.3
125.67731	1.0
127.11288	1.5
135.08183	1.6
142.02672	1.9
153.01974	1.0
153.12878	2.0
155.14450	1.4
163.11287	19.2
164.11588	1.0
179.10849	1.1
181.12341	55.3
182.12682	5.1
189.94310	1.0
192.70241	0.9
197.11691	1.0
199.13388	38.2
200.13786	1.2
207.10263	46.5
208.10539	2.3
209.11852	2.8
221.96078	1.0
225.11320	97.1
226.11652	6.5
227.12868	1.6
243.12367	87.8
244.12738	6.6
290.28259	1.1
317.16043	100.0
318.16394	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	317.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21357	0.7
57.03433	1.3
59.01375	4.8
69.54768	4.6
71.01367	1.2
71.05028	4.1
83.04996	1.1
89.02436	1.2
89.84272	0.6
91.03990	2.0
93.23914	0.8
96.96034	0.8
97.02930	3.9
97.06580	2.7
99.00879	44.2
100.01202	1.0
109.06542	1.6
109.45415	0.6
110.03703	2.0
123.08119	0.8
125.09719	10.9
135.08199	0.8
142.02699	1.2
155.10770	2.9
155.14368	1.5
163.11311	9.2
171.19397	0.8
181.12323	22.3
182.12527	1.0
185.11803	4.6
199.09695	0.9
199.13388	21.1
200.13724	1.4
207.10249	40.3
208.10620	3.5
225.11299	100.0
226.11678	6.3
243.12349	74.6
243.14926	1.8
244.12621	4.9
316.02499	0.8
317.16019	95.2
318.16400	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	317.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26046	1.3
57.03445	6.1
58.00616	1.2
59.01378	38.4
65.46308	1.0
71.01373	7.7
71.05006	5.5
71.56336	1.2
72.99309	3.2
75.00865	1.3
76.28082	1.1
76.84748	1.2
77.84309	1.3
85.06600	6.2
89.02441	22.1
91.04002	70.7
111.08154	3.0
125.09708	7.4
149.73759	1.2
153.12866	1.2
157.08730	3.0
162.13808	1.2
181.12331	37.0
182.12740	2.3
197.11842	3.5
199.13391	100.0
200.13737	5.5
225.11305	44.6
226.11615	1.9
243.12341	4.0
259.56882	1.2
317.10892	3.9
317.16022	34.7
317.19626	3.2
318.16501	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	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.8
58.00575	1.8
59.01377	38.4
64.56829	0.8
69.03422	1.2
69.76469	0.9
70.84301	1.8
71.01378	9.3
71.05018	7.0
72.99297	1.4
85.02980	1.0
85.06589	6.9
89.02438	22.5
89.02943	1.8
91.04005	71.4
92.04344	1.9
99.08171	1.0
111.08150	2.5
125.02472	0.9
125.09733	7.7
147.24442	0.9
153.12823	2.9
157.08626	2.1
163.11333	1.0
178.02495	0.9
181.12329	44.7
182.12653	2.3
193.05124	1.1
194.29089	1.0
197.11801	3.0
199.13385	100.0
200.13741	6.0
225.11299	47.1
225.13565	1.5
226.11623	3.8
242.98235	0.9
243.12259	5.0
249.00250	1.0
273.07602	1.1
317.10172	2.2
317.16064	24.2
317.19720	3.3
318.16241	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	317.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97749	0.8
55.01882	0.9
57.03432	3.5
59.01377	3.3
63.02385	1.3
65.00324	1.2
70.95801	1.6
71.01356	1.1
71.05017	3.8
83.01385	1.4
83.05010	1.3
89.02450	0.8
91.04001	1.1
91.30704	0.7
95.01379	0.9
97.02946	4.5
97.06588	3.2
99.00878	47.1
100.33590	0.9
110.03733	0.9
123.08150	2.8
124.01614	1.9
125.02440	13.1
125.09711	12.8
135.08122	1.3
136.05295	1.4
142.02660	1.0
149.02495	1.2
151.00414	2.0
152.01140	3.1
155.14420	1.9
163.11284	7.9
165.98964	0.8
178.99789	1.7
181.12343	19.1
182.12650	1.8
184.56302	0.9
185.11841	1.5
192.04260	1.3
199.13406	22.3
200.13760	1.4
206.71629	0.8
207.10252	37.0
208.10564	3.0
225.11311	100.0
226.11665	6.2
231.06644	1.2
243.12357	76.2
244.12677	4.8
257.10205	0.7
273.07800	1.4
274.04825	1.3
289.07208	9.7
317.06631	9.3
317.16025	90.5
318.06888	1.0
318.16385	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	317.0663
Annotation	Acremonidin E
Peak:m/z	Relative Intensity
54.45088	0.3
59.01379	0.6
70.83288	0.7
80.02681	1.8
94.60982	0.3
96.95988	0.5
108.02169	59.9
109.02498	1.4
119.75984	0.3
123.04523	61.0
124.04842	2.3
152.01152	2.8
167.03491	100.0
168.03838	4.4
198.03207	0.4
211.03838	0.3
220.42833	0.3
226.02690	3.6
241.05098	2.1
255.03050	0.5
285.04047	1.4
317.06635	38.3
318.06992	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	317.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26787	1.0
56.24455	1.0
56.47321	1.1
56.54704	1.0
58.93129	1.1
59.01373	3.7
80.05051	1.3
95.01382	1.8
96.95983	1.1
96.99336	2.3
97.85763	1.1
99.00888	5.0
109.02956	5.1
111.00888	2.6
121.02918	1.3
124.01688	5.1
124.98794	1.5
125.02430	3.5
125.99620	3.1
127.00351	1.7
135.04552	5.9
137.02386	3.5
139.00365	2.0
139.03996	2.0
147.04504	2.3
149.02463	1.4
150.03244	1.6
151.00327	1.6
151.03961	1.3
152.01140	49.4
153.01949	8.3
159.04501	1.7
165.01903	6.2
167.03491	46.5
168.04137	3.3
173.06004	2.4
177.01843	1.1
178.02638	1.2
180.04279	1.5
181.05070	1.2
186.25645	1.2
187.03944	2.6
197.06071	1.6
199.07721	1.2
200.04747	1.3
201.05533	5.4
211.13330	1.6
215.07076	3.5
217.05080	1.0
220.26482	1.0
225.05489	1.4
241.05014	2.7
243.06566	4.6
259.06128	4.3
269.04529	4.5
287.05600	50.4
288.05865	4.8
302.07938	100.0
303.08310	8.3
317.10345	6.0
317.13809	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	317.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22295	1.9
59.01363	6.7
71.58257	1.9
71.58759	3.0
81.08179	2.1
83.17562	1.9
96.95995	8.8
106.06618	92.3
110.02448	3.8
113.09739	2.8
116.05042	4.5
122.06077	3.8
123.91029	2.1
132.04538	2.9
134.06125	4.3
134.51390	2.1
138.05586	20.5
140.07164	17.8
144.08156	3.7
150.05583	15.3
152.03523	40.6
166.05070	17.2
167.05858	100.0
168.06219	3.1
170.09749	4.4
184.11310	2.5
186.12894	13.1
190.18590	2.1
194.04631	2.4
201.07954	13.1
211.13364	7.9
215.09514	11.7
225.06622	4.4
226.07349	5.2
230.11803	34.2
237.10262	2.5
240.08975	6.3
255.11366	48.4
256.11548	2.3
273.12433	53.6
274.10437	10.1
299.10205	11.2
317.11307	72.1
317.14377	14.3
318.11526	5.3
318.17233	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	316.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06283	1.4
57.99250	1.5
59.01371	4.7
60.60693	1.6
69.60697	9.9
71.01366	3.4
78.95876	2.3
89.02426	2.6
90.50789	1.3
109.02939	5.5
110.03261	4.7
110.98483	2.5
113.02386	1.6
119.03406	1.7
119.12728	1.5
120.01249	7.6
123.04539	10.4
124.04845	9.9
130.06592	3.3
145.05241	2.7
153.01903	3.2
153.05554	11.2
154.02260	3.3
154.05937	12.9
165.05574	1.8
186.09302	2.3
210.09299	2.7
212.10782	3.7
214.12427	2.1
227.09576	2.5
229.11052	100.0
230.11455	7.8
240.10278	11.5
242.11909	22.3
244.13394	97.2
245.13699	5.9
256.10153	1.4
316.06796	5.3
316.10709	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1084
Annotation	Taxicatin
Peak:m/z	Relative Intensity
51.44093	0.3
53.61074	0.3
59.01369	0.4
59.22883	0.3
69.89246	1.2
92.13564	0.3
95.05051	0.7
109.02958	2.2
121.50603	0.3
122.03751	0.7
122.77145	0.3
123.04519	67.4
124.04860	1.6
135.04465	0.8
153.01958	1.6
153.05568	100.0
154.05904	3.8
233.37866	0.3
315.07166	0.8
315.10815	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15668	0.4
55.13663	0.3
55.55167	0.3
58.06723	0.3
59.01472	0.4
64.08876	0.3
69.22489	3.2
79.14857	0.3
79.95374	2.0
79.95894	6.8
80.96643	0.5
95.94720	2.2
95.95400	12.9
96.95473	2.0
96.96178	13.1
96.99482	0.4
108.02306	0.6
109.02316	0.4
109.03116	4.7
110.00228	0.9
111.01052	3.9
121.03101	0.5
123.01047	0.6
123.04652	0.4
123.17358	0.3
130.04294	0.5
133.03111	1.2
135.01033	0.9
136.01758	0.8
137.02452	3.1
141.07254	1.1
143.05150	0.6
145.03152	0.4
145.06567	2.5
147.01025	0.7
147.04677	0.5
148.01860	1.0
149.02559	0.8
150.00038	0.3
151.00699	8.0
151.67659	0.3
154.04330	0.5
157.06760	1.0
159.04532	2.2
161.02473	0.7
161.06262	1.2
163.00429	1.6
164.01604	1.0
169.06586	2.8
170.03809	0.5
171.04454	1.7
173.06235	1.1
174.03398	0.4
175.00497	1.1
176.01135	2.4
177.02182	0.4
182.55031	0.4
183.04674	0.4
185.06055	6.3
187.04015	6.4
189.05550	7.4
190.06029	0.5
195.04617	0.7
197.06044	2.1
198.03333	1.2
199.04120	1.4
201.05687	0.9
211.04051	1.0
211.13379	0.4
213.05547	9.1
214.02885	0.8
214.06065	0.5
215.03453	2.8
217.05060	0.7
229.05031	2.4
239.03568	0.7
240.04367	0.5
241.05089	4.8
241.09799	0.7
242.02243	1.0
242.05380	0.5
257.04538	39.2
258.04886	2.9
268.03839	1.6
269.04501	0.6
270.01868	0.4
271.10837	1.0
285.04022	92.5
286.04370	8.0
300.06366	69.3
301.06699	6.4
315.08716	15.2
315.12622	100.0
316.09100	1.3
316.12958	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	315.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67320	1.0
59.01376	5.5
61.98819	1.4
72.79581	0.9
75.00806	1.1
78.70046	1.0
84.31171	1.2
98.19865	3.9
122.03731	10.5
123.04527	1.8
131.85495	1.1
134.64717	1.2
135.00842	2.4
150.03215	32.6
151.03491	2.0
153.01976	1.3
153.05536	2.0
165.05562	100.0
166.05888	4.6
168.10115	1.0
183.72189	1.0
191.03520	1.6
216.81419	1.1
217.00255	3.0
238.66556	1.0
239.03015	1.2
244.92485	1.1
251.50807	1.0
254.85583	1.5
257.02643	1.8
285.02380	4.5
300.04590	8.7
315.06946	13.0
315.19473	1.9
315.25314	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	315.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55986	0.3
59.01367	0.8
63.02087	0.6
63.02395	8.4
65.00317	3.8
69.30283	2.8
70.23854	0.3
71.01353	0.4
73.71327	0.3
80.02664	0.5
83.01378	5.5
85.02950	0.3
91.82635	0.3
92.30348	0.3
95.01381	1.7
96.02127	0.4
101.02439	0.5
107.01385	12.2
108.02205	3.0
109.02930	0.9
111.35909	0.3
113.02460	0.3
123.00887	0.7
124.01672	5.3
125.02401	0.4
134.03729	0.6
135.00861	0.4
136.01663	2.8
137.02428	1.2
149.06044	0.7
149.99550	2.2
151.00357	25.2
152.01169	3.0
153.01797	0.3
163.00368	0.4
164.01157	4.7
165.01889	0.4
169.01353	3.2
171.85860	0.3
175.03972	0.5
177.01926	9.2
178.02271	0.3
187.04048	0.4
189.05516	0.3
195.04524	0.6
196.00131	2.5
213.05533	0.6
215.03458	0.7
217.05096	0.8
230.05797	1.1
231.06607	0.7
239.03433	0.6
241.05019	1.1
254.05779	0.5
257.04489	0.9
267.02911	0.9
281.04700	0.4
282.05322	0.8
284.03152	0.9
285.04047	8.7
286.04382	0.7
299.05548	4.5
300.06354	14.3
301.06699	1.0
315.08710	100.0
316.09024	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40548	0.3
59.01366	0.6
63.02393	7.9
65.00325	4.2
70.72493	0.8
83.01379	6.2
95.01386	2.2
107.01384	14.0
108.02217	2.3
109.02967	0.9
121.02903	0.3
123.00902	1.0
124.01656	5.0
125.02439	0.6
133.02937	0.7
134.03781	1.8
135.04497	0.7
136.01663	2.9
137.02405	1.1
149.02483	0.5
149.99605	1.9
151.00357	23.7
152.01190	2.2
162.03221	0.5
163.00290	0.6
164.01160	4.0
165.01877	1.4
169.01396	3.1
171.04532	0.3
175.03967	0.5
177.01917	8.5
178.02335	0.6
187.03920	0.3
195.04466	0.5
196.00121	2.0
199.03970	0.4
210.01669	0.5
213.05579	0.4
215.03436	0.7
217.00359	0.4
217.05064	0.7
230.05823	0.7
231.06610	0.7
239.03479	0.4
241.05013	0.9
242.02229	0.5
243.02925	0.4
254.05873	0.5
257.04498	0.9
267.02979	0.8
267.95850	0.3
281.04520	0.6
282.05316	1.4
284.03311	1.0
285.04010	8.6
286.04480	0.7
297.07587	0.7
299.05588	4.7
300.06354	14.3
301.06677	1.1
315.08710	100.0
316.09027	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	315.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
56.40274	0.4
59.01381	2.4
59.10980	0.5
61.98818	0.6
62.74315	0.4
71.26990	0.9
80.02677	1.6
95.01341	0.5
107.01377	4.6
108.02170	11.6
123.00896	0.7
123.04535	0.7
124.01739	0.4
136.01660	13.8
151.04039	0.4
153.05563	0.6
164.01151	25.3
165.01675	1.4
177.01971	0.4
179.03488	100.0
180.03841	4.4
191.03404	0.8
196.00114	15.0
197.00375	0.7
204.97475	0.4
211.57251	0.4
217.00276	1.3
220.14755	0.8
232.99899	0.6
254.85696	0.7
270.40125	0.5
285.04053	1.5
315.05231	0.7
315.08694	3.5
315.25153	0.5
330.05533	0.4
335.05896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01366	1.6
68.12734	0.7
70.56156	2.0
70.56497	0.8
71.01394	1.7
81.03450	0.9
83.01390	0.8
85.02940	1.7
95.01374	1.8
98.20490	1.0
101.02439	1.6
107.05022	0.7
108.02167	100.0
109.02962	37.1
110.03268	1.2
113.02425	2.1
121.02978	0.9
122.03750	1.0
123.00919	1.1
123.04519	29.1
135.00864	1.1
151.03973	1.9
152.01146	66.5
153.01941	30.9
153.05565	39.4
154.05963	1.0
159.14413	0.7
163.04073	0.7
165.01880	2.5
195.02983	1.1
222.57986	0.6
229.11082	1.0
230.89355	0.8
244.13452	1.3
265.50430	0.8
315.07193	89.5
316.07547	8.3
319.65930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05305	0.5
59.01375	2.8
61.09930	0.5
61.98817	0.8
63.02397	1.5
65.00328	0.8
71.55717	0.8
78.34631	0.6
97.02951	0.6
108.02174	1.6
110.89571	0.7
123.04528	2.6
124.01655	59.3
125.01997	1.6
129.28040	0.6
134.03732	1.4
136.01581	0.7
138.03186	0.7
139.04002	100.0
140.04375	3.6
149.06055	1.2
153.05627	0.8
155.72513	0.7
164.01132	0.9
165.01891	0.7
179.03487	1.6
217.00253	1.1
232.99733	0.7
250.45744	0.6
254.85565	1.5
285.03973	0.7
300.06201	0.6
315.08701	18.7
315.19342	2.0
315.25430	0.6
316.09018	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	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01365	1.2
63.88781	0.4
65.03962	6.4
67.01888	2.8
70.96281	1.0
71.01383	2.5
72.86279	0.5
73.02945	0.5
85.02965	1.1
91.01901	0.7
96.04996	0.4
101.02442	1.1
109.02946	100.0
110.03271	2.2
113.02436	1.0
122.03302	0.9
123.04508	9.2
124.04803	0.4
135.00900	5.2
153.01926	67.9
153.05545	13.8
154.02249	2.3
161.04503	1.8
232.13501	0.4
315.07205	27.2
315.10519	1.2
316.07474	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	314.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.0
57.76088	0.7
60.21163	0.6
60.99296	1.8
69.55588	5.2
71.01381	2.6
72.00905	2.6
72.04546	1.2
74.02470	96.1
75.02812	0.9
83.05010	1.5
84.04553	2.5
85.06583	1.0
86.02465	1.7
88.04048	9.2
95.05003	0.8
97.06606	1.4
98.20663	1.1
103.09609	0.7
104.03532	18.1
111.08142	0.9
115.00336	1.5
165.12828	8.6
180.13951	1.5
181.16011	2.4
183.13921	2.3
190.15871	0.7
194.15462	1.2
199.13394	1.2
208.17055	60.8
209.11858	1.2
209.17416	3.8
222.14986	19.4
223.15276	1.5
227.12917	3.3
234.14964	1.9
240.16075	6.0
252.16019	20.2
266.13995	8.5
270.17075	2.8
278.13919	1.9
284.15012	12.9
285.15536	1.2
296.14920	5.9
314.16080	100.0
315.16296	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	314.161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	3.6
59.01374	3.2
61.70424	0.8
61.98815	1.0
70.02437	0.6
70.02980	1.4
70.22359	2.7
71.01378	24.9
71.05009	2.0
81.70972	0.7
85.02963	0.8
85.06595	2.6
88.04037	94.6
89.04341	1.4
92.30350	0.7
96.99306	2.3
97.06561	1.2
97.39315	0.8
108.02153	1.1
108.08192	0.8
109.02933	1.1
112.07698	0.7
114.01973	1.4
115.00371	22.6
115.07612	1.2
121.02959	1.8
123.04528	1.0
126.09229	6.9
132.03020	7.9
132.04530	1.0
136.05344	0.8
153.01915	0.8
153.05595	1.4
161.04861	1.0
162.05583	1.4
180.13911	3.3
198.14944	6.7
199.13396	14.6
255.02855	1.1
257.04520	2.2
270.17081	16.1
271.17615	1.1
283.06082	1.4
285.03992	5.9
296.14987	4.3
300.06396	2.5
314.16101	100.0
315.08725	3.5
315.13333	0.9
315.16534	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	314.161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	3.6
59.01374	3.2
61.70424	0.8
61.98815	1.0
70.02437	0.6
70.02980	1.4
70.22359	2.7
71.01378	24.9
71.05009	2.0
81.70972	0.7
85.02963	0.8
85.06595	2.6
88.04037	94.6
89.04341	1.4
92.30350	0.7
96.99306	2.3
97.06561	1.2
97.39315	0.8
108.02153	1.1
108.08192	0.8
109.02933	1.1
112.07698	0.7
114.01973	1.4
115.00371	22.6
115.07612	1.2
121.02959	1.8
123.04528	1.0
126.09229	6.9
132.03020	7.9
132.04530	1.0
136.05344	0.8
153.01915	0.8
153.05595	1.4
161.04861	1.0
162.05583	1.4
180.13911	3.3
198.14944	6.7
199.13396	14.6
255.02855	1.1
257.04520	2.2
270.17081	16.1
271.17615	1.1
283.06082	1.4
285.03992	5.9
296.14987	4.3
300.06396	2.5
314.16101	100.0
315.08725	3.5
315.13333	0.9
315.16534	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	314.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	4.2
59.01371	2.4
61.98816	0.9
65.37811	0.8
69.03487	0.8
70.02959	1.3
71.01382	28.9
71.05006	1.9
71.57015	1.0
82.75568	0.7
86.06138	0.9
88.04040	99.5
89.02383	0.9
89.04393	1.8
96.99294	1.7
114.01968	2.1
115.00370	23.8
126.09241	11.7
128.09708	0.7
132.03011	10.9
165.80824	0.8
179.10651	0.9
181.12253	0.9
183.16339	0.7
197.11839	9.3
198.14987	6.9
199.11703	1.4
199.13402	15.9
241.10788	1.0
252.16060	1.0
270.17130	17.7
271.17584	1.7
296.14896	2.6
314.16086	100.0
315.13879	1.4
315.16348	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	314.1397
Annotation	Oxycodone
Peak:m/z	Relative Intensity
52.50226	0.4
59.01366	0.6
65.03957	2.4
67.01883	1.2
69.73441	2.6
71.01363	1.2
71.51943	0.5
73.02935	0.6
73.09505	0.5
85.02962	1.0
93.03455	12.9
101.02489	0.5
107.05072	0.4
108.02163	0.7
109.02360	0.7
109.02943	44.5
121.02949	100.0
122.03284	2.0
122.03748	2.0
123.04517	18.9
124.04845	0.5
130.06593	0.4
131.59483	0.5
134.03738	1.3
135.00882	1.7
135.04497	2.2
137.02411	2.2
145.02895	0.4
146.03731	1.1
147.04510	3.4
148.05267	2.7
149.02425	0.9
149.06046	1.4
151.03934	0.6
153.01929	26.5
153.05553	13.6
156.96367	0.4
161.04510	0.6
162.05565	1.3
163.06386	1.2
163.91498	0.4
165.01923	0.6
176.07181	0.8
177.07947	5.7
178.08728	3.4
180.10321	1.8
185.06059	0.7
192.10281	12.1
193.10637	0.9
213.05354	0.6
227.07240	0.6
238.06328	0.9
239.07042	1.1
240.04269	0.7
241.05009	3.2
242.05836	3.3
255.06609	5.2
256.07285	3.9
257.07623	0.5
269.08179	0.8
314.13950	96.9
315.07199	12.8
315.10138	0.4
315.10962	0.4
315.14221	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	314.1607
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
50.25076	0.6
53.71165	0.6
57.03439	1.0
58.02973	8.8
58.38530	0.6
59.01371	1.7
69.21156	6.7
70.02998	0.8
71.01377	23.8
79.68070	0.6
88.04038	96.3
89.04374	1.4
96.99313	1.6
114.01954	1.8
115.00370	23.4
132.03018	8.7
132.03944	1.1
136.46490	0.7
140.10826	9.8
180.13947	1.4
181.12427	0.6
198.14995	6.5
199.13373	17.5
200.13713	0.9
235.01180	0.7
252.16002	1.0
270.17093	16.4
271.17419	1.1
280.13461	0.6
296.15051	3.1
298.89841	0.6
314.16095	100.0
315.16379	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	314.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65564	0.8
59.01368	4.4
60.56371	0.9
65.79446	0.8
71.01379	1.3
71.56599	1.3
72.07959	0.9
89.02418	1.1
93.03449	3.8
109.02912	2.3
115.10529	0.9
115.13679	0.9
121.02949	57.9
122.03755	17.4
123.00887	3.0
123.04501	4.0
124.01641	2.6
135.04480	3.6
136.05301	21.3
137.02414	5.4
137.06065	2.3
138.03195	2.2
147.03255	2.5
152.07217	1.0
153.01939	2.2
153.05545	2.6
154.02673	4.2
161.03473	1.3
161.04819	20.9
162.05591	100.0
163.05930	4.5
168.04282	9.9
168.05614	1.7
175.31976	1.0
176.07133	14.0
185.02774	1.0
211.74757	1.0
227.01895	1.0
284.09256	1.7
299.11542	2.1
314.13928	73.0
315.10818	2.6
315.14227	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	313.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55859	0.5
59.01377	5.1
60.68002	0.5
63.46670	0.6
69.74744	0.5
69.89260	3.0
70.81792	0.5
71.01379	0.6
77.57091	0.6
83.05024	1.1
89.02431	0.8
91.04006	2.2
97.06595	1.5
98.20000	0.7
106.04204	1.0
107.05067	0.6
119.16820	0.5
121.02869	0.7
121.10155	0.7
121.99947	0.5
147.83800	0.6
159.11789	1.3
175.11172	0.9
177.12839	25.9
178.13231	1.5
195.13884	100.0
196.14243	7.0
203.10797	3.1
215.83122	0.6
221.11804	12.5
222.12083	0.6
239.12871	24.3
240.13234	1.8
241.84830	0.5
243.53572	0.5
255.03044	3.6
283.02557	4.3
298.04825	4.6
313.07132	3.9
313.16537	44.3
314.17020	4.4
333.58881	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65712	1.2
59.01365	5.5
61.98817	3.2
71.02568	2.9
75.00868	1.4
139.74814	1.2
150.03293	1.4
162.05608	1.4
165.05568	4.5
178.40289	1.3
182.03671	2.3
210.03136	2.7
217.00320	2.2
238.02702	55.8
239.03125	5.1
253.05038	17.0
268.07419	10.2
299.04288	4.1
313.23459	3.8
314.06686	100.0
314.23401	2.6
315.07077	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	314.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42416	1.5
58.66819	1.3
59.01374	3.4
69.89832	5.8
69.90250	3.0
71.01399	3.5
74.07378	1.5
85.02929	1.5
108.02181	3.5
109.02938	14.2
116.05046	11.1
118.06612	1.8
122.03739	5.4
123.04527	29.7
131.03740	2.3
132.04567	2.7
137.02443	5.7
140.05064	2.5
146.06093	4.1
152.01117	1.8
152.07155	49.0
153.01938	10.2
153.05563	39.0
153.06813	2.1
153.07454	3.5
156.53580	1.4
166.06622	3.4
179.07362	1.9
182.06111	8.4
184.04027	9.0
184.07639	2.3
186.05579	3.7
188.06538	1.6
192.08195	5.3
194.09691	3.9
197.04794	2.4
198.05559	1.8
198.09314	2.0
208.07654	2.9
210.05566	19.7
210.09169	2.8
212.07161	35.2
213.07561	3.6
224.07112	2.4
226.08789	3.4
230.04538	1.8
238.08569	6.5
240.10341	3.4
254.08156	2.6
255.08972	29.5
256.09482	2.4
258.11307	5.4
268.09735	6.1
269.10205	1.7
270.11340	5.0
284.09235	2.5
302.10321	100.0
303.10663	5.9
314.10132	8.4
315.07065	5.7
315.10483	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	313.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
57.97663	0.4
59.01383	4.1
63.57242	0.4
70.25445	0.8
70.25833	0.8
71.01384	1.3
73.89706	0.4
83.05039	1.3
84.46205	0.5
85.56075	0.4
89.02459	1.2
91.04005	1.8
95.05009	0.5
97.06606	1.5
121.02952	1.6
121.10213	0.5
128.84100	0.6
159.11771	1.9
164.88225	0.4
177.12840	27.4
178.13193	1.6
195.13893	100.0
196.14240	6.6
203.10724	2.2
221.11819	11.9
222.12138	1.2
239.12880	26.2
240.13173	2.2
241.05092	0.4
255.02997	9.6
256.03406	0.6
283.02438	6.4
284.02713	0.6
298.04803	9.9
299.05051	1.1
313.07166	8.5
313.16547	44.0
314.07785	0.7
314.17007	4.0
319.68393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17361	0.5
57.81658	0.6
59.01385	3.8
59.33393	0.6
61.98835	1.3
69.41846	4.9
71.01350	0.7
83.05032	0.8
89.02451	1.1
91.04010	1.8
95.05080	0.7
97.06603	0.9
98.20621	1.1
106.04247	0.7
107.40602	0.6
121.02943	3.5
159.11819	1.7
175.05797	0.6
177.12833	24.3
178.13164	2.0
195.13885	100.0
196.14206	6.4
203.10779	2.8
221.11800	11.0
222.12152	0.9
239.12886	26.5
240.13136	1.8
250.11385	1.2
255.02859	1.5
270.05408	1.9
285.07217	0.6
299.19577	0.7
313.03934	1.5
313.07144	2.7
313.16541	40.9
314.16830	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0352
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
56.42302	0.4
59.01366	2.0
70.72520	0.4
71.01385	0.5
71.26381	1.0
77.75256	0.4
88.58122	0.4
89.02451	0.5
93.39899	0.4
108.94753	0.4
113.60034	0.5
121.02921	1.2
130.04234	0.6
133.02937	0.6
136.94426	0.4
145.02950	0.7
146.03716	0.5
154.04181	0.8
158.03703	0.9
159.74866	0.4
161.02429	0.7
164.01123	1.9
169.02831	0.5
170.03777	2.3
174.03226	3.0
176.01181	1.4
177.01912	1.5
182.03728	0.9
183.01154	0.5
185.02423	1.7
186.03239	2.2
188.01146	3.0
189.01917	1.2
190.02704	0.8
190.61253	0.5
197.02518	0.9
198.03212	11.0
198.21936	0.4
199.03609	0.6
201.01941	2.3
202.02715	2.5
202.99905	1.0
203.03532	0.5
205.01385	0.7
210.03181	0.7
213.01918	5.9
214.02705	11.2
215.03036	1.0
218.02249	2.4
225.01988	0.5
226.02695	3.5
229.01419	2.1
230.02080	2.4
241.01402	0.7
242.02190	16.9
243.02518	1.2
245.00925	1.5
246.01695	0.7
252.00569	0.8
253.01399	7.3
253.09315	1.8
254.02010	1.6
258.01315	0.5
269.00845	5.6
270.01682	13.1
271.02084	1.0
281.00900	17.7
282.01236	1.4
282.46130	0.6
285.04077	1.6
297.00391	8.9
298.01160	43.9
299.01526	4.4
313.03519	100.0
313.23724	2.4
314.03867	8.3
336.09253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0716
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.56681	0.2
54.26551	0.2
59.01372	0.9
60.36733	0.2
68.81517	0.2
71.01386	0.2
77.03980	0.2
89.02436	0.4
93.03435	0.3
101.02463	0.3
121.02952	100.0
122.03299	3.4
149.84918	0.2
151.03949	0.2
162.05463	0.3
180.05774	1.2
181.06564	4.2
182.06888	0.3
225.05559	6.6
226.05882	0.6
240.04056	0.3
253.09293	0.7
269.08109	0.4
313.03802	0.7
313.07141	17.7
313.23419	0.4
314.07443	2.0
314.13831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20762	0.3
57.03440	0.5
59.01386	3.1
67.04163	0.3
71.01337	0.4
71.57785	0.4
72.09308	0.3
75.33517	0.3
85.02937	0.5
97.06552	0.7
99.08138	0.4
101.02474	0.5
113.09701	1.0
115.07626	1.0
125.09832	0.4
127.07639	0.8
128.08401	0.7
139.11287	0.8
167.14395	3.2
168.14720	0.4
171.10262	1.1
181.12230	0.8
183.01170	0.4
183.13890	2.3
195.13893	10.2
196.14180	0.7
211.13365	1.7
213.15002	1.6
227.62291	0.4
242.15186	0.7
251.11334	1.1
252.28502	0.3
265.21719	0.6
267.23169	0.4
275.20209	0.7
283.06281	0.5
283.22769	0.4
293.21176	7.7
294.21466	0.9
311.05887	1.7
311.22263	100.0
312.22595	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03436	1.9
59.01369	2.7
69.52324	2.1
69.52737	3.6
71.66718	0.9
83.05023	1.4
97.06573	2.3
99.08162	1.1
113.09715	6.5
121.10249	2.0
127.11285	1.3
137.09721	1.0
139.11284	25.9
143.31247	1.0
153.09161	1.2
155.10773	1.5
165.12781	1.2
171.10262	35.6
172.10509	1.5
179.10710	1.1
184.38988	0.9
185.11813	2.9
192.78151	0.8
193.12361	1.2
211.13399	6.8
230.55959	0.8
249.22311	2.0
265.21545	0.9
275.20120	1.3
293.21198	32.4
294.21576	2.9
311.22244	100.0
312.22623	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	312.124
Annotation	Cepharatine B
Peak:m/z	Relative Intensity
56.55201	1.0
59.01372	12.8
59.92935	0.9
71.01373	9.7
71.57133	1.7
72.99295	1.6
73.02940	1.3
75.00880	2.5
77.82542	0.9
82.04681	1.0
85.02941	4.6
87.00887	1.7
89.02454	5.7
93.03444	1.5
99.00906	1.1
101.02433	3.9
107.05035	5.0
108.04567	2.0
109.02949	3.4
109.04069	1.4
113.02451	3.5
119.03507	1.8
119.05032	2.2
120.05345	1.9
121.02962	3.8
122.02480	1.0
123.03250	1.2
123.04523	3.6
124.03970	1.0
134.03735	2.0
135.04529	4.3
136.04031	2.9
138.05623	2.4
145.02930	2.9
146.02522	1.4
146.03699	2.0
147.03224	3.9
147.04437	1.1
148.04034	9.1
148.05298	8.0
149.02454	4.0
149.04774	2.1
150.03223	4.3
150.05602	16.9
150.06703	1.3
151.00414	2.3
151.04007	10.2
151.06044	0.9
152.10988	0.9
159.04491	1.5
160.04034	4.6
160.05315	3.1
161.04677	2.2
162.05574	2.6
163.03996	2.4
163.07652	3.0
164.04440	0.9
165.04063	2.6
166.04343	1.2
174.05684	1.8
175.06383	7.7
175.07651	1.5
179.03465	1.2
226.08754	2.8
236.07086	1.9
237.07863	1.2
238.08714	1.9
239.03535	2.4
240.04300	1.8
240.06558	1.6
252.06636	1.6
253.05003	3.6
253.07420	2.7
253.09605	1.1
254.05772	4.0
254.08252	8.8
255.87347	1.1
263.05786	1.5
264.06619	4.8
265.07309	1.3
266.05389	1.5
267.06491	3.4
268.06216	1.9
268.09729	2.2
269.08109	1.2
280.06290	1.5
280.09778	3.1
281.06927	9.6
282.07687	36.2
283.08072	3.3
296.09253	27.0
297.10031	88.6
298.07315	1.7
298.10327	7.6
312.12418	100.0
313.09335	2.8
313.12759	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56099	0.8
56.16821	0.7
57.03428	2.7
59.01369	2.1
70.59702	1.7
99.08141	2.6
100.28070	0.9
113.09707	2.6
121.10175	1.2
123.08114	1.1
127.11246	1.3
129.09216	6.9
137.09642	1.3
139.11292	3.8
155.10820	1.6
167.14398	0.9
169.12320	1.6
171.10252	21.9
172.10408	1.0
173.91876	0.9
181.06189	0.8
181.12297	3.5
183.10217	1.5
185.11830	3.2
193.12402	1.4
197.11803	8.4
199.13377	3.1
201.11285	4.9
211.13341	10.7
241.22113	0.9
275.20163	2.4
293.21185	14.5
311.22244	100.0
312.22656	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03443	0.8
59.01368	2.9
61.17414	0.7
71.03504	1.4
72.51025	0.7
96.11208	0.8
97.02953	1.2
121.10233	1.8
123.08146	0.7
125.09707	1.8
127.11294	2.1
137.09718	1.2
139.11282	10.5
151.11337	0.9
155.10789	1.6
165.12831	0.8
167.10745	2.4
171.10271	47.2
172.10596	0.9
183.10274	3.0
185.11823	8.9
193.12277	5.7
194.12648	0.8
201.11307	5.8
211.13489	3.8
228.89651	0.7
229.09645	0.7
275.20187	3.7
293.21219	22.3
294.21545	2.7
311.05743	1.3
311.22256	100.0
312.22617	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	311.2226
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
54.43537	0.9
57.03437	1.7
59.01380	5.0
68.78093	1.0
71.51858	1.1
88.79588	1.0
97.02945	1.5
98.19879	3.9
99.08144	2.9
113.09724	4.1
125.09709	1.3
127.11286	1.0
129.09206	1.4
139.11301	7.5
165.12827	1.5
171.10258	17.1
181.12321	2.4
183.62311	1.0
185.11765	2.4
193.12308	8.7
197.11743	2.9
211.13338	10.4
212.13693	1.6
293.21216	15.3
294.21448	2.0
311.05783	1.9
311.22250	100.0
312.22592	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03427	1.6
59.01371	2.2
60.79805	0.7
64.84908	0.7
70.59446	2.2
77.22792	0.6
97.02931	1.7
99.08162	1.5
113.09705	2.8
121.10209	1.4
125.09708	1.1
127.11256	2.8
129.09210	2.5
139.11279	7.0
167.14444	0.7
167.17093	0.8
169.12314	1.5
171.10263	28.6
172.10555	0.9
181.12299	2.1
183.10280	1.9
183.13821	0.9
185.11765	4.6
193.12312	4.2
197.11832	4.8
199.13373	1.7
201.11342	2.5
211.13344	11.4
249.22310	1.1
265.21875	0.9
275.20126	2.5
293.21198	23.1
294.21558	2.1
311.05518	1.0
311.22241	100.0
312.22586	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	311.2015
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01369	2.2
69.91702	1.0
69.92105	0.7
78.86225	0.3
79.95737	0.7
91.26476	0.3
98.20587	0.4
103.30071	0.3
133.06589	2.7
136.58894	0.3
149.09711	100.0
150.10048	4.9
170.00436	0.5
170.43507	0.4
183.01195	20.7
184.01967	6.2
185.02177	0.4
197.02779	0.9
216.00946	2.2
225.05699	0.4
251.11403	0.4
255.10902	0.3
311.16833	51.3
311.20209	60.6
312.17123	5.3
312.20551	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	311.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96383	0.5
55.01866	2.6
57.03439	0.9
59.01378	3.2
61.42080	0.5
61.98822	0.9
69.88464	2.0
71.01373	2.9
72.99284	1.1
75.00867	37.5
85.02942	1.7
89.02457	2.6
101.02453	1.1
102.54835	0.5
113.02420	1.2
117.01964	0.7
119.04171	0.9
119.05019	19.0
120.05337	0.9
128.16718	0.5
129.01920	7.3
134.03734	0.8
135.03003	0.5
135.04510	1.6
136.25372	0.5
147.02974	2.8
149.04546	7.7
163.04001	19.0
165.04031	100.0
166.04424	2.4
179.03592	0.7
223.07588	1.1
269.04501	1.5
270.04840	1.2
285.03989	1.2
286.81677	0.6
311.08017	2.6
312.12308	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	311.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02950	0.6
57.03436	0.7
59.01376	100.0
60.01712	1.4
69.39035	6.0
69.39368	1.2
71.01376	5.7
73.02965	2.2
75.00903	0.7
81.18004	0.8
85.02936	4.1
96.09474	0.7
101.02462	3.2
104.83618	0.7
113.02461	2.1
115.06378	0.7
161.04608	2.5
172.41264	0.8
175.02536	1.0
176.82224	0.7
210.25558	0.7
213.12343	0.8
251.19139	0.8
269.10425	3.1
311.05588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57798	0.6
59.01376	100.0
60.01704	1.2
60.51887	0.6
71.01376	5.1
71.54853	0.8
73.02966	2.0
76.24071	0.7
83.01395	1.0
85.02940	3.3
89.51575	0.5
95.01402	0.7
95.61575	0.6
96.92091	0.6
99.00916	0.6
101.02480	3.2
101.06177	0.6
107.05054	0.8
113.02460	1.6
114.10442	0.7
115.00398	1.2
117.03463	1.9
134.03729	11.4
135.03004	1.2
145.18170	0.7
149.06117	0.8
161.04514	3.0
175.02487	2.3
193.01634	0.6
193.05046	9.8
251.11395	1.1
267.02774	0.9
269.10358	2.6
281.09409	1.1
283.06253	2.0
283.84784	0.6
311.05566	4.9
311.10297	3.3
311.29437	0.6
312.06226	0.8
328.49933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
59.80570	0.3
61.02669	0.3
66.10972	0.2
68.79570	0.3
71.56985	0.4
91.01899	0.5
93.03450	0.7
98.23986	0.3
107.01405	0.3
117.03434	1.3
121.02956	0.6
132.02158	5.3
133.02904	0.4
134.03770	0.3
135.00877	1.5
151.00328	0.4
154.04231	0.6
162.02289	0.3
163.04070	0.3
167.05013	0.8
176.18996	0.3
184.05341	0.5
193.01114	0.3
195.04529	2.0
196.05261	1.7
197.06056	0.4
198.03134	0.4
209.06041	1.0
211.01923	0.3
211.03989	5.9
211.07886	0.3
212.04720	2.0
216.83380	0.3
223.03993	3.0
224.04768	2.4
225.05180	0.4
226.02734	1.7
227.03203	0.3
227.07040	0.3
237.05675	0.7
239.03488	11.6
240.04231	5.4
253.05077	2.1
255.06537	0.5
265.05099	0.4
267.02963	12.6
268.03738	100.0
269.04117	8.4
281.04523	1.4
282.05179	0.5
283.06046	2.8
311.05582	25.4
312.05975	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	311.0555
Annotation	Irisolone
Peak:m/z	Relative Intensity
55.01892	0.1
56.72047	0.0
58.67545	0.1
59.01368	0.2
62.01625	0.1
63.02401	0.1
64.99997	0.1
65.00323	1.1
65.03957	0.1
68.09177	0.0
68.99825	0.2
69.03458	0.1
70.59084	0.1
75.02402	0.1
77.03966	6.5
78.04301	0.2
79.01889	4.1
80.02232	0.1
81.03439	0.3
83.01365	0.3
87.00874	0.1
87.02408	0.1
89.00297	0.0
89.04005	0.1
91.01900	0.1
91.05550	0.2
93.03456	4.1
94.03804	0.1
95.01392	0.2
95.05004	0.2
97.02961	0.6
103.01898	0.2
105.02788	0.1
105.03461	1.4
107.01378	0.7
107.05025	0.1
108.02194	0.2
109.02964	0.2
110.78998	0.0
115.00395	0.1
117.03465	18.2
118.03770	0.7
119.01393	0.1
119.05026	2.1
120.05375	0.1
121.02957	5.2
122.03283	0.1
123.00884	0.2
123.04477	0.3
125.02465	0.8
129.03407	0.1
130.04222	0.1
131.01352	0.3
131.05043	0.2
132.02037	0.1
133.02962	0.5
134.03783	0.3
135.00905	0.3
135.02936	0.1
135.04524	4.2
136.01653	0.1
136.04887	0.1
137.02443	0.5
139.04007	0.1
141.03497	0.1
143.05045	0.1
145.02951	0.9
145.06595	0.1
146.03676	0.2
147.00876	0.2
147.04518	0.5
148.01662	0.5
149.02451	1.9
150.02782	0.1
151.00372	0.1
153.07149	0.1
155.05109	0.3
156.05760	0.2
157.06586	0.1
158.03806	0.2
159.04524	3.8
160.04890	0.1
161.02443	5.1
162.02950	0.3
163.00360	0.6
163.04010	5.0
164.01155	0.1
164.04341	0.1
165.01930	2.7
165.07187	0.1
166.02327	0.1
167.04980	0.2
168.05815	0.1
169.06595	0.6
171.04546	0.4
171.08180	0.2
172.05190	0.1
173.02475	0.3
173.06052	0.7
174.03064	0.1
174.06471	0.1
175.00362	0.6
175.02428	0.2
175.03778	0.1
176.01060	0.1
179.06972	0.1
180.05788	0.3
181.06610	0.5
182.03735	1.0
182.07304	0.1
183.04509	1.4
183.08107	1.1
184.05013	0.2
184.08511	0.1
185.02455	0.1
185.06035	0.2
186.03317	0.1
187.04085	0.1
187.07655	0.1
189.01906	0.4
190.02650	0.2
190.99825	0.1
191.03496	1.5
192.03912	0.1
193.01416	0.9
193.06531	0.4
194.07327	0.2
195.04530	0.6
195.08170	0.7
196.05278	1.2
197.06079	1.8
198.06429	0.1
199.04042	0.3
199.07690	0.1
200.04730	0.1
201.05612	0.2
203.03430	0.4
208.05167	0.1
209.06059	0.6
210.06854	0.5
211.04076	0.2
211.07632	1.4
212.04712	0.1
212.08095	0.1
213.05600	0.4
215.07094	0.7
216.07382	0.1
217.01373	0.1
221.06087	0.2
223.04050	0.2
223.07851	0.1
224.04774	1.3
225.05502	0.5
227.03459	0.2
227.07048	0.3
237.05573	0.8
238.06337	0.5
239.03619	0.2
239.07123	3.4
240.04323	0.5
240.07317	0.3
241.05101	0.6
243.06639	0.4
253.05057	0.6
254.05804	0.3
255.06619	0.5
256.03818	0.1
264.04306	0.1
265.05020	0.4
266.05710	0.1
267.03113	0.3
267.06412	0.2
268.03745	3.6
269.04245	0.3
281.01385	0.1
281.04556	2.3
282.05276	1.9
283.06094	62.1
284.06433	5.0
293.04520	1.5
294.05038	0.2
309.04059	0.6
310.04138	0.1
311.05585	100.0
312.05920	8.6
314.04361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57735	1.0
53.05410	1.1
57.03431	1.7
58.82792	0.9
59.01371	6.7
67.01891	1.9
69.03455	2.3
70.83369	2.5
71.05006	3.2
80.02675	7.8
81.03438	4.2
83.05027	26.4
84.02164	10.5
85.06575	1.1
85.44821	1.0
90.29498	1.1
95.05029	2.2
97.06561	4.0
99.08170	8.4
109.06589	2.2
111.08102	3.1
113.09727	1.9
115.07626	3.9
123.04475	3.4
125.09698	6.7
127.11287	5.8
132.25259	1.1
135.08133	1.4
137.09721	47.1
138.10042	2.2
139.07635	1.4
139.11301	7.9
151.04010	2.1
151.07643	3.0
151.11183	3.8
152.00510	1.1
152.08401	3.7
153.09206	9.9
153.12869	2.4
155.10771	48.0
156.11061	2.1
163.11241	1.1
165.12837	2.2
167.10710	3.4
169.12267	2.8
171.10258	52.8
172.10576	3.0
179.14441	1.5
193.12311	24.2
195.13803	2.1
197.11746	2.9
209.11774	3.1
209.15369	4.4
211.13339	5.5
211.26199	1.1
221.11755	1.4
223.17044	1.4
225.18555	1.4
247.20612	5.9
263.20044	3.8
265.21747	9.6
271.80972	1.1
273.18475	1.8
281.21094	1.2
291.19626	100.0
292.19904	8.3
309.17026	7.5
309.20615	89.0
310.20914	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
57.03431	2.1
59.01385	5.7
63.16287	1.0
65.17080	1.1
69.03442	1.6
70.41169	4.2
71.01404	1.2
71.90298	1.0
80.02666	2.8
81.03449	3.4
83.01388	8.8
83.04988	3.6
95.04990	1.4
97.06573	5.1
98.03703	1.8
99.65195	1.1
106.04245	1.3
109.06617	1.5
111.08124	1.3
116.95876	1.1
121.10182	1.1
123.04498	3.2
123.08140	3.9
125.06020	2.1
125.09737	12.2
127.07621	1.1
127.11261	1.6
137.09705	2.3
139.11302	10.1
152.08421	1.6
163.11317	7.6
165.12856	17.4
167.10733	7.3
168.11473	1.5
171.10255	2.0
171.30373	1.2
181.12260	4.5
183.13811	2.6
191.10712	3.5
193.15984	6.1
197.11809	2.7
200.28098	1.3
206.16727	1.1
207.10170	2.4
209.11810	60.1
209.15123	2.1
210.12027	3.2
211.13377	2.2
219.17412	1.3
247.20644	13.5
248.20946	1.6
265.21716	2.9
273.18375	2.6
291.19647	100.0
292.19937	9.0
309.16895	4.6
309.20563	39.6
310.20959	3.1
326.20074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88728	1.1
56.10795	1.0
56.96133	1.1
57.98640	1.1
58.00593	2.0
59.01368	2.6
68.47094	1.1
69.03442	1.0
70.83175	2.2
74.27631	1.0
77.60954	1.0
84.13059	1.2
93.37511	1.3
111.08158	28.6
111.87475	1.1
112.08456	1.5
127.07667	2.6
137.09732	1.8
151.11404	1.3
153.12828	1.6
167.10672	1.3
169.12354	7.9
171.10197	1.4
177.12779	1.1
181.12338	2.2
183.13838	1.3
185.11679	1.3
197.11826	100.0
198.12198	5.7
199.13377	4.4
211.13379	10.3
227.12852	2.5
257.74896	1.2
263.20132	8.7
265.18103	2.5
273.18686	2.5
291.19659	20.8
292.20062	2.4
309.20694	40.2
310.21045	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
59.01382	1.6
59.54014	1.3
62.02890	1.2
69.03457	5.4
69.50717	2.4
69.51131	6.8
75.16874	1.2
83.05025	3.5
85.02948	4.8
97.02947	50.5
97.06570	1.4
99.00859	1.6
111.08157	1.7
117.21241	1.2
119.08646	6.4
125.09736	1.7
137.09711	18.5
151.03999	4.3
151.07607	7.0
152.08424	9.6
153.09148	1.3
155.10944	1.5
171.10257	39.9
172.10634	2.0
185.11778	5.4
195.13823	2.7
197.06764	1.2
209.15407	12.7
211.13332	10.6
221.11841	6.0
239.12906	3.6
247.17012	1.6
247.20625	1.9
252.10034	2.7
259.55548	1.2
265.18018	3.5
273.18585	3.3
291.16275	2.1
291.19626	34.8
292.19922	3.2
309.17050	25.2
309.20688	100.0
310.17703	2.4
310.20975	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.9
59.01363	1.3
69.03439	1.7
69.82520	7.5
79.27904	1.2
96.20526	1.7
98.20553	2.3
109.06624	1.5
111.08151	34.1
112.08524	1.7
147.75455	1.3
151.11406	2.1
159.25093	1.3
169.12286	7.9
181.12372	2.0
193.12289	1.5
197.11818	100.0
198.12122	5.5
199.13368	2.9
199.45767	1.3
206.70168	1.2
209.15399	1.5
211.13425	10.6
227.12813	4.1
247.20575	1.5
263.20181	5.0
265.18216	3.0
282.89459	1.3
291.19629	21.5
292.20041	1.7
299.44608	1.3
309.17163	2.7
309.20691	43.9
310.20920	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	309.2069
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.14000	1.0
51.99530	0.9
55.76847	1.0
57.03448	1.3
59.01374	2.0
67.01880	2.1
70.78616	2.9
70.78999	1.6
79.33671	0.9
83.05038	1.2
94.53043	0.8
95.05037	0.9
111.08146	3.0
121.10217	9.9
125.09719	7.7
137.09727	4.8
165.12785	1.2
167.14441	1.7
171.10287	8.5
185.11821	11.3
195.13914	5.4
197.11838	6.1
209.11647	1.0
211.13374	66.3
212.13728	5.1
222.67482	1.0
225.14793	1.4
251.16475	1.8
273.18417	1.1
291.19647	100.0
292.19998	11.0
309.17212	1.8
309.20676	21.9
310.20871	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.7
59.01369	2.7
60.03600	1.2
69.03442	4.7
70.93798	2.7
81.03458	1.8
83.05024	4.3
95.04945	1.1
97.02940	22.0
97.06589	2.3
109.06610	1.6
111.08167	2.3
119.08619	2.4
123.08218	1.3
125.09712	4.5
127.11294	1.3
137.09691	5.6
151.11255	1.3
163.11279	4.4
165.12798	10.6
166.09915	1.5
171.10274	13.5
179.14391	1.9
181.12372	4.0
181.65453	1.1
182.40070	1.3
183.13855	2.4
193.12349	5.9
195.13838	4.3
207.10162	1.9
209.11789	4.2
211.13324	3.9
221.15463	2.6
223.13373	5.0
227.12914	6.2
239.16672	1.3
247.20583	7.9
266.80130	1.3
273.18604	3.5
291.19644	100.0
292.20059	7.5
309.20676	73.4
310.20987	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86039	0.9
57.03445	2.5
59.01372	6.0
60.44832	0.9
69.03442	1.0
69.67843	1.6
69.68250	3.6
71.05016	16.8
81.30288	0.8
93.07101	1.1
95.05042	1.2
97.06583	5.9
107.05000	2.7
119.08653	2.5
121.10236	12.1
123.04521	1.0
123.08172	2.4
125.09714	9.8
137.09721	18.6
138.10062	1.2
141.12860	1.5
147.08083	0.9
151.11240	1.2
171.10258	44.7
172.10596	1.8
185.11809	17.1
186.12161	1.3
197.11777	3.5
207.13922	1.3
209.11816	1.9
211.13306	2.1
219.13876	1.9
229.71362	0.9
235.16969	2.0
237.14987	3.0
247.13736	1.0
247.20656	2.1
251.16507	44.3
252.16801	3.1
273.18646	2.8
274.91391	0.9
291.19638	96.6
292.20041	11.0
309.04465	1.2
309.20688	100.0
310.21057	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.9
59.01374	6.0
63.78255	1.6
64.16913	1.4
70.56831	4.9
71.05016	15.5
73.10894	1.4
82.26462	1.4
85.02813	1.5
86.18455	1.8
93.07076	1.8
95.04964	1.6
97.06579	5.9
121.10213	10.3
123.08231	1.9
125.09711	7.9
137.09729	16.6
163.22691	1.5
165.12848	2.0
171.10262	37.9
172.10681	1.5
185.11774	17.1
197.11818	5.2
209.11783	2.6
211.13255	2.0
219.13974	1.7
233.15483	1.6
233.61749	1.6
237.15002	2.6
251.13873	1.9
251.16492	38.8
252.16858	2.9
260.01498	1.8
267.68924	1.8
273.18607	2.8
291.19635	93.9
292.19937	9.0
309.20673	100.0
310.21115	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
59.01373	2.6
70.93125	2.1
70.93446	1.6
71.05010	19.7
97.06596	6.5
121.10215	6.9
123.08117	1.9
125.09692	4.7
133.03178	1.3
137.09712	18.1
138.10013	1.2
156.16032	1.4
171.10255	54.4
172.10689	2.4
181.12274	1.6
185.11801	10.5
197.11790	2.3
207.13922	2.0
211.13260	1.6
219.13675	1.3
226.15305	1.3
233.15346	1.6
237.15001	2.5
247.20532	1.7
251.16527	22.5
252.16794	2.1
291.19632	60.9
292.19937	4.9
305.20932	1.3
309.20688	100.0
310.21115	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	307.228
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01369	1.7
61.98836	0.6
70.53009	1.6
71.01386	1.5
98.20583	0.6
107.59703	0.5
120.68867	0.5
168.74818	0.5
181.67233	0.5
211.37492	0.6
239.26138	0.6
247.07983	0.6
272.93079	0.6
307.22772	100.0
308.23117	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78506	0.8
59.01367	2.0
70.32649	2.8
88.28797	0.8
97.06567	1.8
112.36681	0.9
113.09701	2.2
115.07643	1.1
125.05970	0.9
126.06850	1.8
139.11253	1.3
141.09174	2.1
165.12856	3.9
167.10753	1.2
167.14406	2.6
173.31689	1.2
181.12326	3.8
193.12410	1.1
195.13942	1.8
197.11812	1.1
211.13390	3.6
213.15115	1.1
221.05032	0.8
221.15533	1.8
226.74113	0.9
237.22066	0.9
240.13548	1.6
247.20554	5.0
273.18558	2.1
281.21158	2.7
291.16257	1.0
291.19638	39.1
292.19891	4.7
309.20676	100.0
310.20987	9.7
332.58414	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.5
57.03443	4.0
59.01379	3.8
65.01344	1.2
65.03962	54.0
70.78289	1.6
70.78625	2.7
71.01356	2.1
71.05022	44.3
74.07130	1.4
81.03453	1.5
83.05020	3.4
88.46391	1.5
88.85442	1.1
90.01082	1.3
95.05043	1.4
97.06590	66.5
105.15365	1.3
119.08675	7.1
121.06595	100.0
122.06946	2.7
123.08171	3.7
125.09724	36.0
126.09982	1.7
137.09708	4.8
159.88918	1.3
163.11252	1.6
164.08485	1.8
167.28981	1.3
169.08632	1.5
171.10327	2.5
185.11826	76.0
186.12195	3.5
199.92624	1.3
209.11819	31.9
210.12160	1.7
211.13373	36.0
212.13705	2.2
217.12408	1.7
233.15472	3.1
235.13380	94.4
236.13811	6.6
271.17038	1.5
289.18091	19.7
304.39685	1.3
307.19156	27.9
308.19513	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48018	1.1
53.04939	1.1
54.65887	1.1
55.01888	1.2
57.03426	4.8
59.01376	8.7
67.01884	2.5
69.03436	3.0
69.29325	11.4
71.01374	4.6
80.02695	1.8
81.03454	7.6
83.01395	7.3
83.05000	5.1
93.03444	2.1
95.05004	4.2
97.02926	4.9
97.06601	11.2
99.30413	1.2
107.05009	1.4
109.02959	1.3
109.06580	3.4
109.15372	1.1
110.03712	2.8
111.08124	1.6
119.08633	1.5
121.06551	3.8
121.21362	1.3
122.03704	1.4
123.04539	11.4
123.08132	4.5
125.06068	1.6
125.09720	23.8
135.08151	4.1
137.06073	2.2
137.09727	14.4
141.12790	3.8
146.31404	1.2
149.06071	4.1
151.11241	2.7
160.08844	1.4
161.09660	2.6
163.07675	2.4
163.10059	1.9
163.11287	18.7
164.08411	1.6
165.09126	1.8
165.12823	4.2
167.10706	1.8
168.00533	1.3
171.10320	1.5
175.11111	1.2
177.12773	1.3
179.10690	3.0
181.12283	5.4
185.10240	1.6
185.11821	26.0
191.10678	4.7
191.14415	20.9
207.10208	10.4
209.11809	53.9
210.12144	3.7
211.13376	2.1
217.15919	2.6
225.11285	9.2
226.11874	1.4
245.19064	50.7
246.19313	4.0
263.20151	2.8
271.17010	6.3
279.19339	1.7
284.53525	1.5
289.18073	100.0
290.18384	11.0
307.19064	49.4
308.19327	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	18.4
59.01378	12.8
63.07822	2.3
69.03448	5.9
70.08882	9.0
71.01378	18.8
79.31729	2.4
79.95734	7.3
80.02660	3.3
83.05013	8.3
86.71891	2.3
95.05020	6.9
97.06581	25.7
107.05009	2.4
109.06612	5.4
111.08169	11.8
118.47556	2.4
121.06596	3.2
123.04559	3.7
123.08134	4.0
125.09742	6.7
127.07612	3.1
130.41063	2.9
137.06050	3.2
137.09717	4.5
137.81726	2.6
149.09677	5.6
151.11275	27.6
152.11652	3.1
153.09122	3.0
153.12846	5.4
155.10760	11.3
161.09727	3.0
163.11244	8.5
165.12839	40.2
167.10760	7.6
168.11496	2.5
169.12328	3.3
177.12823	5.2
179.10776	13.4
181.12338	44.0
185.11801	4.2
191.10779	18.7
191.14407	6.5
197.11911	3.1
205.12350	5.5
209.11810	100.0
210.12175	7.0
211.13438	13.2
224.10597	4.0
239.09294	2.9
245.19052	34.1
246.19301	4.0
262.95227	2.6
263.20212	11.8
271.17065	2.9
279.19580	6.0
289.18018	36.9
307.18915	60.1
308.19083	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	307.1913
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01860	2.7
55.07602	1.1
57.03452	7.2
59.01366	3.6
65.03960	58.6
69.03448	2.0
69.89856	2.4
69.90264	3.7
70.39607	1.0
71.01360	1.9
71.04637	2.1
71.05015	38.3
83.05014	5.3
93.03448	7.5
95.04963	1.4
97.06580	76.3
98.06917	3.7
98.20648	1.6
104.37727	1.5
106.04251	1.3
107.05046	1.6
109.06564	2.7
111.08154	1.6
117.07114	6.2
119.08659	23.4
120.09039	1.5
121.06590	100.0
122.06900	4.4
123.08175	5.6
125.09711	51.8
126.10011	1.8
133.06586	2.4
135.08150	33.2
136.08493	1.4
137.09708	5.6
141.12839	2.9
152.91693	1.1
171.10258	25.0
172.10573	1.7
172.51213	1.2
178.56271	1.2
181.74797	1.2
185.11810	84.3
186.12103	3.1
191.14171	1.6
209.11807	42.1
210.12128	3.2
211.13370	34.2
212.13696	2.0
217.12173	2.0
231.13905	1.3
233.15428	4.3
235.13368	91.7
236.13704	7.9
245.19028	2.0
249.14890	5.4
252.13643	1.4
271.17108	2.0
279.19485	2.5
289.18073	52.0
290.18365	4.9
307.19089	37.4
308.19382	3.8
328.50266	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.4
57.03439	3.1
59.01382	2.3
65.03960	60.5
69.81333	3.4
69.81740	6.3
71.05020	35.3
83.05006	2.4
91.59711	1.7
95.05002	2.1
97.05972	3.6
97.06589	70.4
98.06942	2.1
106.85164	1.7
111.29462	1.6
111.92057	2.1
119.08659	11.6
121.06591	100.0
122.06904	4.0
123.08133	3.6
125.09711	44.0
137.09712	4.5
169.08688	1.8
185.11819	76.9
185.13478	4.0
186.12067	3.3
209.11832	33.4
210.12140	2.7
211.13393	31.6
212.13698	2.3
214.04645	1.8
217.12604	1.8
235.13376	88.9
236.13684	5.7
260.11642	1.6
269.73969	1.6
280.40512	1.9
289.18118	18.3
307.15671	1.6
307.19128	30.0
308.19647	2.9
314.59406	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07607	0.3
55.01888	0.3
57.03447	0.4
57.95243	0.3
58.12027	0.3
58.37700	0.4
59.01378	3.3
69.03439	1.0
69.07836	0.3
71.01377	0.7
71.03962	0.9
71.05017	5.3
73.02936	0.4
80.02663	1.1
81.03454	1.5
83.05024	1.6
85.61501	0.3
85.68546	0.3
95.04998	2.1
95.25488	0.4
96.96008	0.5
97.02965	0.3
97.06583	0.6
98.03734	2.1
106.04229	1.2
107.05012	0.5
109.02953	0.5
109.06584	14.3
111.04525	7.1
111.08134	1.0
112.05323	0.7
120.05746	0.5
121.02904	0.3
121.06587	0.5
121.10204	0.5
123.08148	1.5
127.07631	3.1
135.08173	0.7
135.11771	0.4
137.06033	0.8
137.09712	0.8
143.10721	1.9
145.06583	1.9
146.81911	0.3
149.06068	0.7
149.09731	1.2
151.11292	0.4
153.09294	0.4
167.10732	2.3
175.11252	0.4
177.12817	0.9
179.10760	1.1
181.12329	0.6
191.14413	1.0
195.13898	5.1
205.15852	0.5
207.17561	0.6
233.15416	0.6
235.13330	1.8
245.19112	4.9
249.14964	0.4
251.16527	1.3
261.18600	0.4
263.20215	0.4
271.17053	1.3
273.15045	0.6
287.16415	2.1
289.18076	100.0
290.18390	9.2
307.15683	0.7
307.19135	9.2
308.19476	0.7
311.22659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.1
59.01377	41.3
63.91502	0.5
71.01380	19.0
71.56683	0.7
72.01691	0.7
72.99298	2.1
73.02943	1.9
73.93201	0.5
83.01379	2.1
84.95960	0.5
85.02946	4.1
87.00841	0.8
89.02440	17.6
95.01416	1.3
96.95998	4.1
96.96512	0.6
98.95597	1.0
99.00815	0.5
99.08151	16.3
100.08455	0.6
101.02435	12.9
113.02438	7.3
119.03509	6.9
127.07639	2.4
129.09218	2.1
131.96918	0.5
141.09264	1.6
145.08694	60.3
146.09038	2.0
149.04482	0.6
152.65417	0.6
161.04495	1.0
174.01724	0.9
179.05522	0.7
187.09760	1.2
194.74590	0.6
289.11951	0.7
307.13998	100.0
308.14340	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	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.7
57.03444	1.5
58.04498	0.7
59.01377	100.0
60.01710	0.8
68.99823	3.6
70.62971	1.1
70.63354	1.7
71.01373	20.7
72.99309	1.0
73.02937	8.6
74.03293	0.8
75.00856	0.9
79.82918	0.8
79.95744	1.3
83.01391	3.1
85.02941	8.7
87.00877	0.8
88.04054	1.4
89.02446	5.2
92.54704	0.8
92.55299	0.7
95.01396	2.2
96.96004	59.6
98.36456	0.7
99.00880	15.6
99.76042	0.8
101.02430	17.8
113.02443	8.8
115.00378	1.4
119.03478	0.9
127.07631	1.2
130.91302	0.8
132.02989	3.8
135.11597	0.7
141.50305	0.7
145.08716	3.3
159.03001	1.7
161.04523	10.9
168.18336	0.8
176.03583	2.0
207.08763	1.8
235.08598	0.9
265.10040	1.5
265.12894	27.3
266.13318	1.5
280.87488	0.8
307.12360	16.8
308.07816	1.8
308.12094	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61792	0.3
59.01379	1.5
63.41967	0.4
65.82262	0.3
70.72422	0.7
71.01375	1.2
71.44911	0.4
74.99067	6.3
75.96239	0.5
79.63509	0.4
79.72392	0.3
89.94124	0.3
91.02199	3.0
93.00146	1.2
98.34362	0.4
149.00940	2.3
157.05075	0.4
159.07158	0.3
159.08444	7.7
161.06398	2.1
206.99706	1.4
209.01227	2.7
217.07309	0.8
223.02815	50.0
224.02885	4.2
241.03954	0.7
289.07394	1.8
291.09079	100.0
292.09204	11.7
307.12219	4.4
307.19275	0.6
308.12491	0.5
309.10245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23759	0.2
56.29973	0.2
59.01380	1.1
59.96732	0.3
61.98824	0.4
71.01381	1.0
71.05861	0.4
74.99069	6.4
75.96216	0.4
91.02203	3.2
93.00125	2.2
103.04052	0.4
116.21915	0.2
135.04462	0.2
143.05367	0.3
149.00938	2.9
157.04999	0.3
159.08453	7.5
161.06398	2.1
188.03725	0.2
192.98109	0.6
206.99706	1.9
209.01270	2.6
217.07196	0.9
223.02818	50.5
224.02863	4.2
225.00882	0.4
227.85248	0.2
241.03876	0.8
275.05957	0.5
289.07541	1.8
291.09082	100.0
292.09198	13.5
307.12216	4.2
307.18967	0.5
308.12238	0.5
309.10059	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	306.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70099	0.3
59.01384	2.5
61.98828	100.0
63.99268	1.2
65.37573	0.3
68.45058	0.3
71.01379	0.6
71.55454	0.4
76.35435	0.3
98.74709	0.4
103.04038	0.5
121.02941	0.9
130.61739	0.4
134.97015	0.6
136.94049	0.6
136.96753	2.6
152.11519	0.3
161.99013	1.8
162.96497	0.7
162.99020	1.1
163.96414	0.4
163.98701	2.9
164.96378	54.0
165.01884	0.8
165.92378	0.6
165.93941	0.5
165.96474	3.0
166.96591	0.4
176.98061	0.9
178.94986	0.3
178.97647	0.4
206.97441	20.7
207.97487	1.7
258.44455	0.4
306.97427	19.1
307.00150	1.9
307.97507	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	307.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17496	0.4
53.57605	0.3
55.00058	0.3
57.03448	0.5
59.01377	3.9
59.74720	0.3
59.91651	0.3
61.98808	0.3
63.37850	0.3
63.67485	0.3
65.74458	0.3
67.01853	0.3
68.99806	0.5
69.33997	2.6
71.01382	2.6
72.99303	0.6
79.95728	1.5
83.01385	0.7
84.35815	0.3
85.02945	0.9
87.00867	0.4
88.04049	3.8
88.64271	0.3
94.16518	0.3
96.96008	100.0
97.95975	0.4
98.95570	0.4
99.00880	1.3
101.02448	0.4
103.04015	0.7
111.00890	0.6
112.98802	3.1
115.00375	2.0
115.01031	0.3
120.96199	0.3
123.99756	0.4
129.01869	0.6
132.03015	6.3
133.02989	0.4
134.03726	0.6
135.04565	0.4
142.99895	1.5
147.04460	0.4
149.06091	0.7
153.05606	1.2
161.04546	0.3
167.07124	1.1
173.00870	3.2
174.01683	30.2
175.02307	1.7
193.05022	1.6
211.06085	1.2
236.23253	0.3
250.07150	0.8
253.75418	0.3
263.07230	0.3
271.08255	5.0
307.12195	36.1
308.07785	0.3
308.12357	2.2
323.01950	0.4
328.49240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2073
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
56.23436	1.0
59.01377	5.1
61.98809	2.0
71.01381	3.5
98.20642	3.6
103.04086	1.0
108.08195	1.3
127.32433	1.2
169.12355	1.9
197.11812	1.9
202.91214	1.0
209.11705	1.7
211.13478	2.6
216.17500	1.2
220.13411	1.7
234.14877	1.2
244.20706	3.5
259.03329	1.1
260.16589	1.9
270.18811	1.6
276.20819	10.4
288.19669	11.7
289.17892	1.4
289.20636	2.3
289.50177	1.2
306.20718	100.0
307.21310	8.4
326.40024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2074
Annotation	Paniculine
Peak:m/z	Relative Intensity
51.68706	1.1
52.35533	1.1
55.58741	1.3
59.01371	6.6
61.98811	1.7
69.51547	8.0
71.01003	1.5
71.01373	5.7
97.06585	1.2
109.06583	3.4
110.10111	1.4
119.08724	1.6
127.07635	2.1
137.09715	2.4
144.08238	1.3
168.10277	11.1
171.35698	1.2
174.12823	4.3
182.87344	1.4
184.13138	1.3
196.13374	1.4
209.11781	3.0
210.11377	1.8
220.13402	3.0
236.12859	2.3
242.19167	1.8
244.20662	16.5
250.34770	1.3
270.18625	12.1
276.20920	1.4
288.19672	35.2
289.20468	10.2
306.20703	100.0
307.21008	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	306.1708
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
50.30592	0.5
51.01866	0.6
51.18724	0.5
53.04239	0.6
59.01366	2.0
69.36589	4.0
71.01392	1.6
83.01409	0.5
96.96007	2.5
112.98772	1.3
121.02969	1.7
122.03727	6.3
123.04531	3.4
123.18985	0.6
125.15085	0.7
135.04558	3.1
136.05240	0.6
142.99887	0.8
146.03700	1.1
147.04492	2.5
149.04831	1.9
149.06041	0.9
151.06374	2.3
151.93068	0.5
159.04521	2.4
161.06107	1.4
161.84157	0.5
162.05545	2.0
162.06799	0.7
170.11871	1.1
173.00880	1.7
174.01675	16.8
174.03163	1.0
175.06343	1.6
175.07642	8.5
185.11787	0.9
187.07567	0.7
191.09477	0.7
193.05098	3.5
201.05522	0.7
219.10590	1.0
229.12189	1.3
231.13902	1.3
245.15540	0.8
253.63109	0.7
259.13416	2.9
260.13916	0.7
261.14816	3.2
262.18088	1.2
271.08218	2.3
271.13394	2.5
277.14484	0.7
288.16040	59.6
289.16733	4.2
306.17081	100.0
307.17392	9.5
327.27521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01871	1.5
57.03442	2.4
57.06700	0.6
59.01382	6.7
61.98815	0.8
65.03954	4.0
70.14207	2.6
71.05020	8.3
79.05527	11.7
81.03478	1.1
83.05029	1.1
93.03457	2.0
93.07053	0.7
95.05036	2.2
97.06588	16.5
97.35252	0.6
103.86715	0.6
106.04232	7.7
107.05035	3.4
109.06581	3.0
113.37338	0.6
117.07011	0.9
119.05013	1.4
120.05815	6.7
121.06625	4.3
123.08136	7.0
125.09728	16.4
126.10069	0.6
127.87088	0.6
133.06601	1.7
135.08159	100.0
135.43729	0.6
136.08482	4.1
137.09729	2.5
141.01704	1.7
151.11284	2.6
161.09804	0.8
163.11313	1.5
177.12866	1.5
183.10298	1.8
185.11780	2.8
189.12868	2.4
199.13370	0.9
205.15932	4.7
207.10298	2.2
209.11847	1.7
211.13394	0.7
221.11841	2.2
231.13828	1.1
233.11800	1.6
235.13144	0.8
243.17546	1.0
247.13359	0.7
249.14929	47.2
250.15149	3.1
263.16492	2.5
269.15564	0.6
269.28705	0.6
277.17950	0.7
287.16571	6.6
288.16522	0.9
305.17563	80.6
306.17880	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	305.2483
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
54.18013	0.6
59.01401	0.6
60.59295	0.6
61.98819	1.3
65.01189	0.5
65.28513	0.6
65.56409	0.6
75.30042	0.6
103.90515	0.6
120.76571	0.6
175.16769	0.6
193.80576	0.7
212.57607	0.7
274.67664	0.7
305.24814	100.0
306.25183	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	305.1756
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
59.01395	13.5
61.98814	3.0
66.83434	1.4
70.79078	4.6
70.96266	1.6
71.01371	1.6
71.05016	30.4
81.03449	2.6
83.05038	2.0
89.02399	1.9
90.45469	1.5
93.03455	2.0
95.01329	1.6
95.05022	15.4
97.06543	1.9
106.04224	2.1
107.04990	2.4
109.06589	12.7
111.04483	1.9
121.06575	4.4
122.03732	2.1
123.08141	2.2
127.07592	4.0
135.08141	6.6
140.11130	1.9
141.01692	5.4
150.06876	1.7
156.13876	1.7
161.06026	2.5
164.08369	2.3
165.09236	9.4
183.47298	1.8
189.12825	13.5
194.99069	1.6
205.15935	9.5
231.14128	2.1
233.11797	5.9
243.17415	11.0
249.14977	11.1
253.66563	1.8
261.18503	2.9
263.20700	1.7
265.83334	1.6
269.15518	2.7
287.16489	71.7
288.16772	5.7
300.26511	1.9
305.08270	2.8
305.17575	100.0
306.17950	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	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.67990	3.7
59.01386	30.8
61.98840	5.2
71.01369	4.9
71.05013	46.4
71.35819	5.0
72.09780	3.5
78.99773	3.2
81.03439	3.4
95.05043	20.0
109.06560	14.7
115.73234	3.0
116.54494	3.1
121.06590	7.3
127.07648	5.2
135.08163	4.2
141.01744	15.4
147.08154	5.3
161.09885	3.5
165.09181	14.1
167.47728	3.3
168.13884	4.8
169.14252	7.5
189.12901	14.5
205.15952	7.6
219.93661	3.0
233.11726	5.5
243.17506	9.6
249.14909	12.0
269.15503	3.7
287.16531	76.5
288.16824	7.6
292.57559	3.1
305.17575	100.0
305.20773	3.9
306.17645	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	304.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05976	0.3
53.17820	0.3
53.63524	0.3
55.01877	0.4
55.08112	0.3
56.87862	0.3
59.01376	1.5
61.98812	0.9
63.89985	0.3
70.20547	1.3
71.01381	0.7
81.03458	1.6
83.05024	5.1
85.04084	0.3
87.00861	0.3
87.92519	2.8
89.02443	0.4
96.96021	0.5
101.02454	0.3
103.92021	2.9
104.92802	0.6
111.02058	0.3
111.04498	3.2
112.98572	0.3
116.05055	100.0
117.05383	3.3
117.38548	0.4
118.06596	0.5
119.02853	0.3
119.47974	0.3
123.94628	0.9
127.03996	0.5
131.03731	0.4
133.01349	0.3
133.05330	1.0
142.06544	0.3
144.08205	0.4
145.96657	1.4
148.07674	21.7
149.04546	0.3
149.07996	0.9
156.06642	0.3
161.96236	1.6
172.07639	0.3
189.95715	0.4
191.04985	0.5
199.94026	1.6
200.10849	0.6
228.10240	0.7
260.12955	0.7
274.14124	0.3
276.12415	0.9
277.12756	0.3
304.11826	3.0
305.12009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	38.5
59.03304	0.3
69.61730	1.1
100.38914	0.3
125.84467	0.3
128.62106	0.2
136.98775	0.4
151.16721	0.3
168.13927	100.0
169.14299	5.2
212.12900	3.6
228.91899	0.3
304.19131	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	305.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03440	0.7
59.01391	0.5
61.98790	0.2
70.59032	0.7
71.01375	1.0
74.00696	0.2
74.02464	0.3
75.00871	0.4
79.95732	1.3
85.02941	0.3
93.72253	0.2
96.96007	100.0
99.00893	0.3
101.02436	0.4
116.01775	0.3
128.96449	0.2
129.01924	0.7
131.33716	0.2
133.06885	0.6
135.03030	0.4
147.03043	0.5
157.08659	1.8
173.00887	0.3
179.06984	0.2
285.13574	0.2
305.10617	26.1
306.10928	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	305.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
66.08772	0.3
67.94379	0.2
68.61090	0.3
70.56985	0.5
71.01379	0.9
79.95721	1.7
85.02950	0.3
96.96004	100.0
97.95931	0.6
98.95586	2.7
98.96383	0.5
99.00862	0.3
101.02422	0.4
113.02443	0.5
115.50896	0.3
115.55410	0.3
135.02995	0.7
145.07648	0.4
157.83731	0.3
160.06412	1.1
161.07184	1.1
173.00972	0.4
174.44960	0.3
175.08748	0.5
189.06664	1.5
201.10374	0.3
203.11923	0.3
206.99689	0.4
229.09814	0.3
305.10623	54.3
306.10950	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	304.0008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50576	0.3
59.01373	13.8
60.01705	1.4
61.98825	100.0
70.58955	0.9
78.95891	0.9
96.96024	0.7
96.97004	0.6
110.98531	0.5
111.02097	0.4
115.02529	0.5
116.02608	0.6
117.00464	0.7
117.02225	1.1
118.00594	0.4
119.00181	0.8
121.69689	0.4
159.01468	2.1
160.01639	5.3
161.01167	6.5
161.98932	20.8
162.01643	1.2
162.96573	0.4
162.99083	1.4
168.99722	0.5
202.02687	1.3
203.02408	1.5
203.99998	4.1
204.02881	0.5
232.99831	0.9
304.00089	14.1
304.02838	5.9
305.00220	2.1
305.03082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01717	1.3
68.75689	0.7
71.01382	13.3
72.99288	1.2
73.02943	12.4
81.54197	0.6
83.01401	2.7
85.02963	2.5
89.02451	7.3
96.96024	1.2
101.02442	9.4
107.80626	0.6
107.89094	0.6
110.00086	1.0
113.02420	3.7
119.03539	1.4
126.43758	0.6
129.24553	0.7
156.19104	0.6
165.99066	0.9
167.99522	0.8
176.50993	0.6
225.54056	0.7
229.14450	1.6
288.05664	0.7
303.08093	2.0
319.53317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1812
Annotation	oscr#10
Peak:m/z	Relative Intensity
55.07337	0.3
59.01370	2.0
63.27402	0.4
69.36523	1.0
69.36932	2.1
71.01356	0.4
79.39235	0.3
88.22971	0.4
91.04012	0.7
109.02982	0.7
113.98831	0.4
135.00912	0.8
139.11298	0.8
153.01950	0.7
165.12820	1.2
167.14394	36.6
168.14763	2.4
185.15529	0.9
191.08434	0.4
211.13376	59.9
212.13747	3.7
229.14421	100.0
230.14761	5.8
232.92558	0.5
261.15027	0.5
303.18118	38.3
304.15616	0.4
304.18481	3.0
309.94464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1447
Annotation	Urechitol B
Peak:m/z	Relative Intensity
54.52464	0.7
57.03444	4.3
59.01374	81.4
60.01728	0.8
63.48107	0.6
71.01381	1.0
71.56556	1.0
72.99306	0.7
73.02969	0.7
75.00852	1.3
79.05498	0.7
83.05025	4.7
87.00880	2.2
95.04991	0.8
97.06585	5.1
99.04503	10.1
107.05017	2.1
110.03707	2.1
111.08148	1.2
123.08157	4.3
125.06075	18.7
127.07641	2.9
140.07278	0.8
141.09192	1.1
150.06897	0.7
159.06645	0.7
162.05623	0.7
163.11285	3.4
165.09189	3.7
167.07130	5.0
171.06607	1.6
181.12337	1.8
185.08167	22.8
186.08504	0.7
207.10197	1.5
223.13341	2.0
225.11311	15.5
231.92746	0.7
241.14445	2.2
243.12350	22.5
244.12663	1.3
267.12360	1.5
285.13419	12.2
286.13651	0.8
303.06097	1.8
303.14459	100.0
304.14871	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	303.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.9
58.00555	2.9
59.01374	57.4
66.07416	2.8
69.03481	3.0
71.01369	20.4
71.46297	3.5
71.56581	3.7
72.99299	75.5
73.02935	8.1
75.00880	25.1
83.01390	5.8
83.05019	3.5
84.02143	5.0
89.02441	34.2
91.52206	3.0
94.37618	2.9
95.05097	2.8
96.96003	15.8
97.02956	2.6
97.06582	30.4
99.00885	24.9
107.05038	4.0
109.06571	12.5
110.03758	3.5
111.00863	4.7
111.08159	14.0
112.98798	76.0
113.99512	2.8
115.00392	3.5
117.01948	25.6
121.06602	8.8
123.04506	3.4
123.08183	6.9
124.01654	5.7
124.98791	5.3
125.06081	16.8
128.51874	2.9
135.02965	26.6
135.04535	3.5
139.07642	25.2
142.98729	4.2
142.99850	76.7
143.00914	6.0
149.06123	18.0
153.05565	36.6
154.99966	3.2
155.10760	13.1
167.07132	38.2
167.10709	9.8
173.00862	23.3
174.01665	83.1
175.02254	3.9
185.11803	100.0
193.05014	12.1
211.06070	8.8
289.96625	3.2
303.09003	5.8
303.14178	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	303.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07160	0.2
53.72898	0.2
56.82497	0.2
64.28752	0.2
66.58236	0.2
69.64830	1.3
75.00868	0.2
79.95739	1.0
84.19771	0.2
85.21422	0.2
88.05855	0.2
96.96006	100.0
97.95928	0.4
128.10869	0.3
164.14461	0.3
173.10042	0.2
175.74742	0.2
215.11977	0.4
303.09039	33.9
304.09329	2.4
304.12384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.6
57.03440	4.0
58.00594	5.2
59.01375	80.8
59.76613	2.3
65.76553	2.3
67.69121	2.1
68.99825	3.0
69.73163	15.2
71.01376	39.8
72.99306	55.1
73.02940	4.3
75.00853	19.9
79.05533	4.7
79.62822	2.2
79.95740	8.8
80.02644	2.5
83.05024	3.2
84.02183	3.0
89.02444	67.7
93.03469	3.7
95.05043	6.0
96.96007	49.8
97.06591	27.7
98.19842	3.2
99.00895	17.2
101.02438	3.0
105.07101	4.3
107.05027	7.2
108.02207	4.2
109.06582	7.1
111.00909	3.2
111.08141	14.6
112.98792	15.0
113.02480	3.3
115.00333	2.8
117.01939	39.4
119.04971	2.3
120.05810	6.1
121.02919	2.5
121.06589	16.1
123.08167	7.8
124.01678	5.8
124.98804	8.5
125.06094	16.7
134.03844	2.4
135.03008	18.1
135.04520	2.8
135.08185	5.0
137.02509	2.9
137.06041	5.0
139.07655	18.0
142.99850	100.0
149.06073	21.7
151.07562	3.7
153.05583	21.8
166.06383	3.7
167.07121	41.1
167.10768	4.1
171.10289	3.7
173.00885	20.5
174.01659	28.4
181.08693	20.4
183.06612	3.4
185.11830	17.5
193.05032	7.5
210.05318	3.2
211.06125	7.4
213.07753	2.7
213.11275	19.3
225.07674	42.4
229.14445	4.3
303.09021	49.8
304.08997	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34117	18.2
59.00592	19.3
69.38751	18.2
71.01376	35.3
71.54653	21.6
78.95885	35.4
80.64100	18.2
85.02912	28.8
85.90245	16.5
87.00888	49.8
98.61785	18.0
103.91999	17.5
111.62528	18.1
122.86427	21.3
125.00076	19.1
125.02380	23.6
125.41101	21.1
149.04556	42.9
149.99759	22.2
168.00638	22.1
170.01060	45.1
191.92119	20.7
198.89667	29.9
228.97490	18.0
303.05698	100.0
303.08948	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	303.0871
Annotation	3,4,4',alpha-Tetrahydroxy-2'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
52.00828	0.4
59.01375	0.7
69.06975	0.3
69.48538	0.3
70.91025	0.9
80.02676	0.9
95.24462	0.3
98.20023	0.3
107.01379	0.9
107.78108	0.4
108.02169	21.8
110.60615	0.4
119.60110	0.4
123.00879	0.5
123.04518	23.0
124.04860	0.9
125.50694	0.4
136.01633	3.0
151.03996	37.3
152.04318	1.4
163.00323	1.3
163.03496	0.4
179.03484	30.2
180.03822	1.8
183.04482	1.9
186.86929	0.3
211.04053	1.8
227.03439	2.2
255.02960	100.0
256.03305	6.9
270.05304	23.2
271.05670	1.6
285.07654	31.3
286.07980	2.6
303.05164	0.9
303.08740	3.8
309.64081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0872
Annotation	3,4,4',alpha-Tetrahydroxy-2'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
53.49778	1.7
54.60340	1.6
58.02967	1.7
59.01375	5.4
69.35241	13.4
71.01378	1.6
87.13181	1.5
99.64709	1.7
108.02174	22.6
112.98621	1.5
123.04514	22.9
137.57001	1.5
145.08633	1.3
151.02910	1.6
151.04005	37.7
154.18164	1.4
168.13918	6.1
179.03497	33.6
180.03754	1.9
189.49409	1.5
211.04018	2.1
220.99530	2.2
227.03487	2.1
255.02968	100.0
256.03293	6.0
270.05334	23.2
271.05438	1.7
285.07687	32.7
303.08582	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	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97486	0.5
68.61763	0.4
69.90689	0.3
70.71553	0.7
70.71888	0.7
74.99061	0.5
111.58354	0.3
118.96267	1.1
134.99396	4.5
136.97334	1.4
143.05331	2.1
150.98779	0.5
159.08469	1.0
161.06412	4.3
162.06648	0.4
175.21815	0.3
201.04152	0.4
203.05632	2.7
205.03575	0.8
215.05670	1.2
217.07196	80.9
218.07347	6.0
219.21759	0.4
232.70992	0.3
261.06146	0.5
277.56744	0.4
285.13455	33.4
286.13605	4.0
301.16583	100.0
302.16754	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	303.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	2.0
71.01367	6.4
71.55384	1.9
72.99310	1.6
75.00876	1.4
76.44276	1.2
78.91879	1.7
78.95898	100.0
85.02937	3.5
87.00854	8.8
87.92534	6.1
96.00880	1.3
96.96951	80.8
99.00899	2.8
101.02480	1.2
103.92015	4.6
104.92786	2.9
110.98528	49.7
111.00854	2.8
111.01987	4.9
112.98795	3.5
113.02427	1.7
114.01972	1.4
115.00318	1.4
124.98780	1.6
125.02430	1.7
128.03484	1.9
128.96820	2.4
129.01898	2.2
135.03043	1.1
142.99861	25.8
145.96754	2.6
149.04596	1.2
155.04539	1.5
158.92474	2.0
161.96181	2.0
173.00882	17.9
175.02399	2.2
190.23105	1.1
199.94064	4.7
280.58487	1.2
282.03827	1.7
284.99945	1.8
285.12772	2.4
303.08307	2.2
304.06781	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.5
59.01376	4.4
68.35075	0.3
69.03431	0.4
69.35673	1.2
69.36103	1.7
69.69124	0.3
71.01376	20.7
72.99310	0.4
73.02953	0.5
84.04531	0.6
87.00864	2.6
89.02432	2.3
99.63022	0.3
105.52251	0.3
110.00044	0.4
111.08178	0.7
116.05062	0.5
123.04533	0.5
147.44661	0.4
157.06238	0.4
165.12817	3.5
167.14395	0.6
179.14461	0.4
183.13887	7.9
184.14281	0.4
186.26181	0.4
193.12254	1.1
200.53641	0.3
209.11908	0.4
211.13376	100.0
212.13719	4.9
213.14983	2.1
217.53236	0.3
223.13229	0.7
235.13275	0.8
241.14455	8.8
242.14796	0.5
247.13354	1.1
253.14503	1.1
255.15880	2.5
265.14404	4.0
266.14697	0.6
271.15521	0.8
283.15414	2.4
301.03192	0.5
301.06720	1.1
301.11493	0.6
301.16516	3.3
301.20291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67527	0.3
55.86879	0.4
58.00597	0.7
59.01376	5.3
69.03454	0.4
70.93003	1.0
71.01378	21.1
72.99313	0.5
84.04540	1.4
85.43736	0.4
87.00870	2.2
89.02451	1.6
97.89371	0.4
110.75478	0.4
116.05045	0.8
123.00889	0.5
130.08264	0.4
144.88499	0.4
149.02473	0.5
165.12825	4.2
167.14354	0.9
183.13893	6.5
193.12378	1.2
209.11937	0.5
211.13379	100.0
212.13724	5.4
213.14946	1.7
223.13379	0.8
232.75616	0.4
235.13443	0.6
237.14841	0.5
241.14417	9.9
241.16692	0.7
247.13333	1.1
253.14413	1.3
255.16037	2.6
265.14417	4.1
271.15604	0.5
283.15430	2.1
286.04184	0.8
301.06778	1.2
301.11578	0.6
301.16547	2.8
301.19925	0.9
302.17319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19677	0.1
57.03424	0.1
59.01376	0.8
70.58719	0.1
70.59070	0.3
71.01373	0.2
80.13833	0.1
83.05014	0.2
89.02451	0.3
91.03999	0.8
97.06581	0.1
98.19966	0.1
111.08173	0.2
155.69391	0.1
165.12830	3.5
166.13286	0.3
176.93791	0.1
183.13884	100.0
184.14223	6.4
184.15921	0.2
209.11798	2.4
210.12125	0.2
227.12866	4.6
228.13200	0.3
230.95015	0.1
301.16541	14.4
302.16818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
64.80507	0.2
65.00332	0.4
69.35863	1.9
72.05652	0.2
86.71362	0.2
89.02446	0.6
91.03994	1.2
93.03474	0.5
95.01350	0.3
110.00102	4.5
111.08178	0.5
119.05045	1.6
123.00858	0.4
123.73569	0.3
124.01664	0.5
135.04523	0.6
136.98775	0.3
137.99603	1.2
139.00368	1.2
151.00368	0.3
152.01158	0.8
156.17383	0.2
165.01953	0.4
165.12830	7.3
165.99062	4.6
166.13202	0.4
166.99881	2.1
180.00629	1.3
181.01334	0.5
183.13889	100.0
184.14221	5.6
191.10800	0.2
209.11798	2.9
210.12094	0.3
227.12877	8.4
228.13293	0.6
286.04819	6.2
287.05261	0.7
301.03668	0.3
301.07178	6.4
301.16531	15.3
302.07480	0.6
302.16959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06847	0.2
57.03447	16.7
58.03775	0.3
59.01369	1.1
60.31988	0.2
61.98816	0.3
65.03979	0.2
69.50472	1.4
81.03453	3.2
83.01390	8.8
93.03450	0.7
95.01389	0.2
98.20663	0.5
108.02171	2.5
108.93777	0.7
109.02940	0.9
118.32872	0.2
121.02964	0.9
123.00854	0.3
123.04530	1.9
124.01656	0.4
125.02444	100.0
126.02789	2.9
133.02959	0.5
134.03737	1.9
136.01660	2.6
137.02444	31.4
138.02818	1.0
139.04021	0.5
145.02820	0.2
149.02451	3.5
149.06073	5.2
150.03239	2.3
150.94760	0.3
151.04005	8.9
152.04352	0.3
161.02454	1.0
163.04016	3.5
163.07631	0.5
165.01973	0.3
165.05565	1.1
165.99057	0.7
175.03925	0.4
176.04773	2.0
177.02000	0.3
177.05371	0.3
183.13911	1.0
191.07153	1.8
200.04764	0.4
220.52240	0.2
227.12906	0.3
233.02615	0.3
253.05153	0.3
255.04797	0.3
265.08469	0.4
271.06052	0.5
275.07404	0.5
286.08481	2.4
287.08765	0.3
301.07135	23.7
301.10803	11.0
301.16309	0.6
302.07446	2.0
302.11072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0929
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
52.33668	0.4
59.01380	5.8
61.98816	0.6
63.44666	0.4
69.38003	3.8
71.01351	0.7
93.03428	0.5
99.04516	0.8
102.47232	0.5
108.02168	0.6
109.02967	0.6
120.99671	0.8
123.00898	2.7
123.04520	1.1
124.01660	100.0
125.02036	2.1
130.08667	0.5
138.05537	1.0
139.04007	88.7
140.04332	3.0
140.07167	2.9
142.61147	0.5
149.99553	0.9
163.05855	0.5
167.03485	0.7
168.00630	2.4
200.28369	0.5
241.15007	0.5
255.06703	0.6
270.09036	0.5
273.07532	0.5
301.05551	2.8
301.09781	0.7
301.12805	4.2
301.21854	0.8
302.10159	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0716
Annotation	Ferreirin
Peak:m/z	Relative Intensity
52.44278	0.2
53.66208	0.2
57.03446	16.0
59.01354	0.9
65.70139	0.2
69.31000	2.1
81.03460	2.8
83.01385	8.0
84.87428	0.2
108.02182	1.4
108.93704	0.3
109.02936	0.5
121.02948	0.7
123.04539	0.7
125.02441	100.0
126.02778	2.7
134.03751	0.9
136.01677	0.9
137.02440	10.2
138.02814	0.3
148.01732	0.4
149.02417	1.5
149.06042	2.0
150.03238	0.9
150.94768	0.4
151.04015	2.9
161.02452	0.8
163.03964	1.6
163.07664	0.3
165.05583	0.4
165.99037	0.3
175.03964	0.6
176.04753	1.6
183.13931	0.5
191.07124	1.7
200.04788	0.5
255.04782	0.3
271.02890	0.2
271.94955	0.2
275.07449	0.3
286.08627	1.0
301.07281	26.8
301.10831	4.0
301.20087	0.4
302.07574	2.1
302.10898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83384	0.5
62.02650	0.5
65.00338	2.1
68.99821	1.1
69.64929	3.7
78.03665	0.6
82.00617	1.8
89.12111	0.6
96.56829	0.6
96.99275	0.7
107.76188	0.7
110.00089	46.2
111.00343	0.8
122.00118	1.3
124.01609	1.3
124.98798	0.8
125.99529	1.0
137.99583	6.0
139.00363	4.8
140.01131	3.0
141.99040	0.9
151.00380	0.7
152.01152	1.3
157.10449	0.7
165.01970	1.5
165.99065	100.0
166.99536	5.3
168.00572	4.8
178.99789	0.7
183.10228	2.6
194.99359	2.9
227.12869	1.1
229.04875	0.7
230.05785	1.9
241.04805	0.7
255.06511	1.4
258.05301	3.3
268.03961	0.8
270.08801	0.8
286.04819	22.6
287.05032	2.3
301.07156	82.6
302.07495	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58385	0.6
61.93790	0.6
63.02393	7.0
65.00326	12.8
69.40354	4.2
70.32339	0.7
75.14589	0.6
78.45278	0.6
80.81637	0.6
83.01382	8.1
85.29964	0.7
98.19876	0.9
99.33672	0.7
99.70983	0.8
107.01391	21.5
108.01579	0.9
108.02197	11.9
110.00092	1.2
121.02939	0.9
123.04543	4.6
125.02428	1.1
134.03740	32.4
135.04601	1.3
136.01637	7.0
144.97849	0.6
149.06070	22.0
150.06422	1.2
151.00363	49.6
152.00763	2.1
164.01170	11.5
165.01930	6.0
165.12854	5.7
165.99036	1.0
169.01466	1.0
174.03239	0.9
177.01915	5.6
183.13878	16.5
184.14233	0.9
196.00052	5.1
199.04057	1.4
201.01877	1.2
209.11801	0.9
227.12892	6.5
285.03949	1.0
286.04843	3.9
301.07166	100.0
301.16571	4.7
302.07574	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18033	0.7
63.20191	0.7
65.00322	2.8
71.56144	1.8
72.99299	1.3
82.00636	0.9
88.94339	0.9
93.03448	3.8
107.01348	1.3
107.73540	0.9
109.02943	2.8
110.00092	33.7
111.46244	1.0
121.02985	1.6
124.01648	1.7
124.98849	1.0
137.02438	6.3
137.99579	5.2
139.00359	3.0
140.01155	2.8
141.99117	1.1
142.51776	0.8
151.00414	2.1
152.01172	1.5
165.01933	60.4
165.99077	75.7
166.02182	2.5
166.99516	4.1
168.00642	3.4
176.12354	0.9
177.01912	2.3
189.08191	0.9
194.99307	3.6
218.39417	1.1
230.05887	1.6
235.79272	1.0
248.32289	0.8
258.05243	2.0
266.53809	0.8
268.03830	1.2
286.04807	18.7
301.07159	100.0
302.07495	8.8
308.48227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16398	0.3
50.48094	0.3
59.01377	0.9
62.99942	0.2
63.02391	1.2
65.00322	1.0
65.03954	1.0
67.01871	0.4
67.58727	0.3
70.14803	0.7
70.15200	0.6
80.02683	0.5
83.01365	1.2
83.05057	0.4
93.03455	6.9
95.01355	1.3
97.02943	0.3
107.01385	1.6
108.02157	1.9
109.02950	4.6
121.02949	3.4
123.00854	0.9
124.01671	2.3
125.02431	0.8
133.02907	0.6
135.00891	0.4
135.04547	0.7
136.01645	0.9
137.02438	8.3
137.03523	0.4
138.02957	0.3
139.03995	0.7
148.01711	0.4
149.02483	0.4
149.06149	0.5
150.03214	0.5
151.00381	2.1
152.01131	1.3
161.02423	0.9
164.01141	0.7
165.01920	100.0
166.02254	3.9
177.01921	3.7
196.00110	0.6
196.05267	1.0
199.03911	0.4
199.77267	0.3
209.11826	5.8
210.12167	0.3
213.05553	0.3
216.04143	0.4
217.04858	0.4
227.12831	0.6
240.04272	1.1
241.05035	1.4
242.05582	0.3
243.02858	0.3
253.05006	0.3
255.06653	0.9
258.05267	0.5
267.02734	0.5
268.03751	0.5
270.08978	1.1
271.05872	0.3
271.09583	0.4
273.07715	1.5
283.06180	1.2
285.03989	2.6
286.04428	0.9
301.07166	43.7
302.07507	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	301.0716
Annotation	Nidulalin B
Peak:m/z	Relative Intensity
52.41746	0.1
59.01371	0.3
61.98835	0.2
69.48079	0.7
80.02671	1.8
90.12361	0.1
100.68078	0.1
108.02167	45.6
109.02489	1.3
123.04517	100.0
124.04846	3.3
135.00854	0.2
136.01660	0.3
148.01651	0.1
151.03990	0.4
163.00327	0.1
163.04002	0.3
171.32306	0.1
219.97839	0.2
241.05165	0.2
265.50888	0.1
273.07693	1.0
301.07141	7.1
302.07462	0.5
324.16571	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	300.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.4
59.01093	0.3
59.01377	6.3
59.01651	0.5
60.01757	0.3
61.94141	0.3
66.34027	0.4
68.01406	2.4
71.01370	3.1
72.01763	0.4
73.02962	0.6
73.09595	0.3
77.61298	0.4
78.60258	0.3
85.02970	0.5
85.14036	0.4
87.00919	0.3
88.04050	2.4
89.02444	2.3
90.02795	0.7
94.06655	0.4
95.05055	0.6
101.02444	1.0
102.02803	0.5
110.02522	0.3
110.06127	0.5
113.02452	0.9
114.01895	0.3
115.00382	0.9
119.03501	1.0
119.05003	0.6
120.03886	0.4
120.05348	0.7
121.02983	0.5
122.02485	0.9
123.00892	0.4
123.03261	5.5
123.04152	0.4
123.04542	0.6
124.04083	0.4
124.07681	0.8
132.03021	5.0
136.07689	0.9
137.04784	1.1
138.05602	100.0
139.04044	0.9
139.05960	2.6
149.02444	1.2
152.03473	0.5
152.07176	1.5
162.05621	5.9
166.08727	0.4
167.05865	1.7
168.06601	0.8
180.06630	5.3
210.07689	0.5
259.07620	0.3
285.03592	0.4
300.10776	17.8
301.10876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0562
Annotation	fludiazepam
Peak:m/z	Relative Intensity
50.83316	0.5
52.73127	0.5
59.93212	0.5
62.24395	0.5
69.03444	1.2
69.89477	1.4
69.89893	1.4
77.99500	0.5
79.01886	0.7
81.03437	0.8
83.01387	1.0
93.03465	0.8
95.01393	0.7
97.02940	1.9
107.01348	1.3
123.00860	2.1
124.01657	14.6
125.02435	46.2
126.02762	1.2
137.02370	1.0
139.95534	0.5
148.15712	0.5
149.99573	24.9
151.00363	3.2
160.93330	0.5
165.39711	0.5
167.03496	0.7
168.00626	59.8
169.01297	6.5
170.01540	0.6
181.21127	0.5
230.28098	0.6
283.04572	6.1
301.05618	100.0
302.05960	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0562
Annotation	fludiazepam
Peak:m/z	Relative Intensity
69.03436	1.4
70.15977	1.8
71.48906	0.5
79.01889	1.1
81.03455	1.5
83.01385	2.0
91.59614	0.5
95.01370	1.1
97.02942	2.3
102.23157	0.7
105.93553	0.7
107.01378	2.4
123.00842	5.3
124.01659	16.8
125.02437	53.8
126.02788	1.7
138.03226	1.0
139.03992	1.0
149.98355	1.4
149.99571	26.6
151.00359	5.7
167.03464	0.8
168.00630	68.5
169.01321	7.4
193.01477	0.8
211.76268	0.7
219.76929	0.6
247.47617	0.7
283.04550	6.1
286.84570	0.5
301.05615	100.0
302.05899	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	301.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77423	0.3
59.01361	1.4
62.62425	0.3
63.02380	1.4
65.00319	1.1
65.03949	0.7
67.01876	0.6
67.55145	0.3
69.03420	0.3
69.47182	2.4
70.71053	0.3
80.02680	0.5
81.03445	0.3
83.01381	1.5
83.05017	0.6
93.03456	6.6
95.01386	1.2
96.02097	0.3
98.20653	0.4
107.01376	1.3
108.02173	1.3
109.02949	5.0
111.98837	0.3
121.02951	3.8
123.00899	0.9
124.01649	3.0
125.02435	0.7
133.02974	0.7
135.00867	0.5
135.04565	0.5
136.01639	0.8
137.02434	7.9
139.03999	1.3
148.01578	0.7
149.06085	0.4
149.99579	0.4
151.00293	2.0
152.01147	1.3
161.02466	1.1
164.01134	0.7
165.01913	100.0
166.02226	3.6
177.01924	3.7
183.13954	0.4
185.02388	0.4
192.79080	0.3
196.00121	0.5
196.05286	1.2
199.03979	0.5
201.02011	0.4
209.11829	7.7
210.12132	0.6
213.05554	0.3
215.03494	0.4
215.86192	0.3
217.05098	0.9
227.12897	1.0
232.35275	0.4
240.04274	1.2
241.05009	1.1
242.10329	0.4
245.78537	0.3
255.06610	1.0
257.91428	0.3
258.05124	0.5
267.03082	0.7
268.03705	0.5
270.08969	1.0
273.07724	1.4
283.06085	1.9
285.03970	2.3
286.04193	1.3
301.07159	45.7
301.16425	0.9
302.07507	4.0
302.10773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0923
Annotation	(6aR,11aR)-8-Hydroxy-3,9-dimethoxypterocarpan
Peak:m/z	Relative Intensity
59.01111	1.0
59.01379	13.6
61.98815	0.7
65.00320	1.0
69.39821	1.5
69.40237	3.1
69.48629	0.6
70.72718	0.5
75.19023	0.6
79.95736	0.7
89.02415	1.8
101.02431	1.1
108.02144	1.4
117.03468	0.8
119.03488	1.0
119.04997	1.5
121.02930	2.0
132.02141	1.6
133.02943	3.1
137.02437	2.0
147.04474	2.6
148.01668	6.7
155.05005	0.8
159.04492	2.9
160.01733	0.7
161.02408	2.8
163.03986	3.9
167.05037	0.7
169.06624	0.6
171.04498	1.5
173.05986	3.0
174.99252	3.6
181.06563	1.9
183.04477	4.0
185.02380	4.0
186.03156	0.7
187.03979	0.7
190.83766	0.7
196.05305	1.4
197.06044	6.5
198.03201	1.0
199.03969	5.4
201.05566	7.6
211.03876	1.0
212.04787	0.8
213.05588	1.4
217.00264	13.0
224.04718	2.0
225.05547	25.0
226.05801	1.7
227.03416	2.3
240.04187	2.2
241.05034	20.1
242.05339	1.4
251.03470	1.1
252.04111	0.9
253.05046	3.6
254.05705	0.9
255.02943	1.0
255.06723	1.0
256.03842	0.8
256.07385	1.5
267.06573	5.7
268.03674	1.4
268.07263	2.2
269.04526	70.2
270.04880	6.2
283.06088	8.6
284.03302	7.8
284.06839	62.6
285.03995	0.9
285.07135	5.9
299.05612	9.9
299.09174	100.0
300.06085	0.8
300.09521	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	299.0922
Annotation	Isosativanone
Peak:m/z	Relative Intensity
55.92333	0.5
57.87504	0.6
59.01375	10.3
65.00294	1.0
65.75385	0.5
69.50953	0.5
71.01363	2.7
71.56423	1.1
77.57341	0.6
88.04033	13.7
89.02426	2.9
89.04371	3.7
90.89194	0.5
91.01900	8.8
93.03425	0.8
101.02435	0.6
108.02181	6.8
113.02438	0.8
116.05063	1.0
119.03470	1.6
119.05002	1.3
121.02950	6.1
123.04526	9.9
129.07008	0.8
133.02936	1.8
134.03737	0.6
134.99913	1.0
135.00882	13.8
137.02406	2.4
147.04477	1.0
148.01640	4.2
149.02359	1.0
149.06070	0.6
153.01906	5.3
157.06505	0.7
160.01590	1.0
161.02440	4.4
165.12845	1.3
166.13171	2.2
169.06465	0.7
171.04524	2.1
172.49461	0.6
174.99190	1.7
175.04004	0.7
181.06555	1.3
181.12270	0.7
183.04399	0.9
195.04439	0.8
196.05200	2.1
197.06067	6.3
199.03928	2.6
201.05669	0.6
205.96555	0.5
213.05464	2.3
217.00290	6.8
217.89410	0.6
223.07593	1.3
224.04726	1.8
225.05545	13.4
225.11263	1.2
227.03546	1.5
239.03426	0.9
239.07024	0.8
240.04198	3.5
241.05055	25.4
242.05377	1.5
251.03290	1.3
252.04221	2.1
253.05118	1.6
255.02740	0.7
255.06720	1.0
256.03699	1.4
256.07404	13.7
257.07797	1.2
267.06586	3.8
268.03674	2.3
268.88501	0.6
269.04541	18.6
270.04816	1.6
278.14291	0.7
283.03171	1.0
283.06055	5.5
284.03177	9.1
284.06818	9.1
285.03506	0.7
285.07147	0.8
299.05585	10.3
299.09174	100.0
300.06198	0.9
300.09494	8.8
320.61926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45281	0.5
57.70346	0.5
59.01379	18.5
61.05955	0.5
68.15234	0.5
70.44021	0.5
71.01371	2.3
72.99271	0.8
89.02443	2.6
91.01889	5.5
94.90369	0.5
96.37221	0.5
98.20697	1.0
101.02408	0.8
108.02171	7.8
113.02412	0.7
119.03595	0.7
119.05003	1.3
121.02952	1.8
121.63811	0.6
123.04459	1.2
133.02934	1.8
134.99950	0.7
135.00896	8.9
148.00534	1.0
148.01666	12.5
153.01953	3.1
161.02464	6.5
169.06554	1.3
174.99287	4.5
195.04393	1.5
196.05217	1.0
197.06030	5.9
199.03954	0.9
211.04001	22.5
212.04370	1.5
213.05580	3.6
217.00275	19.2
238.06230	1.4
239.03487	57.9
240.03944	4.9
241.05046	21.7
242.05399	2.3
251.03630	0.8
254.05830	63.4
255.06264	5.8
256.07413	16.8
257.07721	1.2
268.03787	0.7
269.04568	7.0
269.08139	21.1
270.04700	0.7
270.08392	1.2
271.09750	5.6
282.05319	0.6
283.02896	0.7
283.06076	2.1
284.03247	7.7
284.06873	11.8
285.03925	0.8
285.07169	0.8
297.07730	1.4
299.05695	6.1
299.09207	100.0
300.09540	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	299.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29419	0.6
58.28393	0.5
59.01108	1.0
59.01375	13.9
68.99810	0.7
71.35562	1.0
78.39943	0.5
89.02420	1.0
89.27580	0.6
91.49410	0.5
95.01385	0.7
101.02411	1.1
108.02138	1.1
119.03497	0.8
119.04995	0.9
121.02914	1.0
132.02139	1.7
137.02415	1.3
138.03304	0.9
144.70906	0.6
147.04495	0.6
148.01634	2.2
153.07043	0.8
155.04991	1.3
157.06569	1.0
159.04565	3.9
163.03999	1.7
171.04483	1.0
173.05989	3.7
174.99165	3.7
180.05775	0.7
181.06580	2.5
182.03682	0.8
183.04463	2.9
184.05295	0.8
185.02394	1.6
186.03200	3.4
195.04565	0.6
196.05194	1.8
197.06071	8.2
198.03122	0.7
199.04012	5.3
201.05562	15.3
202.05876	0.9
207.04451	0.8
211.03958	0.7
213.05499	2.5
217.00279	14.8
224.04794	1.9
225.05557	10.9
226.02646	3.2
226.05876	0.8
227.03430	5.1
240.04144	0.8
240.07932	2.0
241.05035	23.4
242.05431	2.6
251.03473	4.2
252.04205	1.3
253.04948	1.8
267.06577	5.9
269.04529	57.1
270.04834	5.0
283.05988	1.6
284.03473	4.8
284.06857	74.3
285.07230	6.6
299.09186	100.0
300.06131	0.8
300.09506	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	299.056
Annotation	Koparin
Peak:m/z	Relative Intensity
52.67935	0.4
59.01355	1.6
59.52501	0.4
69.88933	0.8
69.89362	2.1
84.82130	0.5
85.82928	0.4
91.01889	0.6
93.18172	0.4
93.18750	0.5
107.01374	0.8
108.02189	0.6
113.75723	0.5
121.02929	1.7
132.02165	0.5
133.02948	0.9
135.00861	1.3
148.01666	5.3
148.46951	0.5
150.03256	0.9
151.00397	0.8
158.03729	1.0
176.01096	1.4
183.04501	0.8
184.05235	0.7
195.04529	0.9
199.04013	1.4
200.04744	2.0
208.29478	0.5
211.03951	4.0
212.04695	1.9
214.02710	0.8
217.00270	1.5
223.03917	0.6
227.03456	9.1
228.04221	2.4
239.03477	3.1
240.04240	1.4
242.02333	0.6
255.02960	8.2
256.03757	5.6
267.02881	1.3
271.06110	0.7
283.02438	7.7
284.03238	100.0
285.03619	7.3
299.05588	99.7
300.05936	7.7
311.84918	0.5
316.14188	0.5
318.37030	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0769
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01371	1.6
70.83743	0.5
71.01378	2.4
73.02950	0.4
78.29396	0.3
80.18761	0.3
83.01424	0.5
84.79128	0.3
85.02940	1.0
88.80864	0.3
89.02447	1.2
93.03453	60.3
94.03793	1.5
101.02438	1.3
113.02472	0.7
113.39845	0.3
119.03500	0.9
119.05022	0.8
130.72818	0.3
131.91878	0.3
137.02435	100.0
138.02785	3.2
138.05597	0.6
161.04517	0.8
198.68584	0.3
246.05153	0.4
299.07623	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	299.0559
Annotation	Koparin
Peak:m/z	Relative Intensity
52.43902	0.2
55.79803	0.2
59.01366	0.8
63.02391	1.5
65.00311	1.1
71.56769	0.4
72.85229	0.2
75.33157	0.2
83.01383	1.6
90.49959	0.2
93.03441	0.2
95.01355	0.2
97.74603	0.2
101.02452	0.3
103.16282	0.2
107.01393	2.9
107.74762	0.2
123.00894	0.3
125.02438	0.3
128.37198	0.3
132.02165	0.7
133.02931	0.7
134.03743	1.5
135.00883	0.3
137.02455	0.4
148.01660	1.4
149.02356	0.3
149.99561	0.5
151.00371	4.1
171.04448	0.3
172.05348	0.3
183.04482	0.6
184.05281	0.3
187.03963	0.4
188.04773	0.5
195.04564	0.4
199.04007	0.9
200.04695	0.8
211.03931	1.5
212.04793	0.5
214.02650	0.3
221.60001	0.3
227.03493	3.9
228.04161	0.7
239.03473	0.8
255.02959	2.4
256.03745	11.9
257.04102	0.8
267.03030	0.3
269.04504	0.4
283.02441	1.5
284.03241	100.0
285.03580	7.6
299.05585	79.4
300.05927	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	299.056
Annotation	7,8,3'-Trihydroxy-4'-methoxyisoflavone
Peak:m/z	Relative Intensity
50.07526	0.5
59.01389	2.4
69.27121	1.5
69.27538	2.8
79.67754	0.4
80.01450	0.5
80.97501	0.5
89.02415	1.3
98.20678	1.2
132.74611	0.5
145.02931	1.4
149.20006	0.5
159.04518	1.3
170.03746	3.7
171.04527	2.5
173.02444	5.5
183.04456	2.0
184.05344	0.7
187.04001	0.8
188.04771	1.3
195.04469	2.4
198.03244	0.6
199.03993	4.2
200.04712	2.3
211.04001	4.5
212.04758	6.6
213.01836	0.5
214.02701	4.9
215.03214	0.6
223.03995	1.6
227.03479	13.8
227.07150	1.7
228.04242	4.3
229.05060	1.7
239.03467	2.4
240.04137	1.9
246.01721	0.7
255.02945	4.8
255.06592	0.7
256.03748	96.2
257.04102	6.2
260.03256	1.7
271.06094	64.0
272.06473	5.2
283.02484	1.9
284.03265	3.7
299.05582	100.0
300.05923	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	299.056
Annotation	Koparin
Peak:m/z	Relative Intensity
54.09795	0.3
59.01385	0.3
59.02335	0.3
63.02397	0.3
65.00323	0.4
69.32023	2.4
72.85194	0.4
91.01875	0.8
98.20690	0.6
107.01375	0.6
108.07727	0.3
129.40456	0.3
132.29318	0.3
135.00880	2.0
145.02934	0.4
148.01659	5.6
149.02002	0.4
150.03180	0.9
151.00343	1.0
156.05655	0.4
158.03664	1.1
170.03697	0.5
172.05254	0.3
176.01118	1.2
183.04492	1.5
184.05217	0.6
186.03232	0.5
187.04015	0.3
189.01970	0.3
195.04437	0.9
199.04073	1.6
200.04747	2.3
211.03983	3.8
212.04762	2.3
214.02724	0.6
215.03491	0.4
215.80147	0.3
216.04219	0.5
223.03947	1.0
227.01311	0.6
227.03477	8.5
228.04144	1.9
239.03493	3.4
240.04117	1.5
242.02184	0.5
255.02991	7.5
256.03683	4.1
267.02991	1.8
283.02466	6.7
284.03238	100.0
285.03577	7.8
299.05585	93.2
300.05914	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	298.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90384	0.3
56.97624	0.3
57.03421	0.5
59.01380	3.6
61.98828	0.5
69.03465	0.3
69.80402	1.8
71.01367	0.7
74.02431	0.3
82.02301	0.3
83.05004	0.3
86.54568	0.3
88.04036	100.0
89.02437	0.8
89.04375	1.7
91.01895	4.5
101.02457	0.7
108.02182	1.3
111.08147	1.5
116.05075	2.0
119.03509	0.4
119.05048	0.5
121.02960	1.9
123.04503	1.2
127.90334	0.3
133.02968	0.6
135.00876	7.9
136.01588	0.4
137.02441	0.9
147.04614	0.3
148.01685	1.0
149.02478	0.4
153.01924	2.5
161.02463	1.5
163.11298	0.4
165.12834	13.4
166.13191	0.7
171.04529	1.2
174.99156	0.5
181.06676	0.3
181.12383	0.7
183.04570	0.4
184.07668	0.5
196.05263	0.4
197.06029	1.8
199.03984	0.5
209.11801	1.0
216.50600	0.3
217.00259	2.5
224.04639	0.5
225.05519	3.1
227.03435	0.8
227.12944	0.4
236.16533	0.7
240.04263	1.2
241.05035	6.8
252.04221	0.6
255.02956	0.4
256.03851	0.5
256.07391	3.8
267.06598	0.9
268.03909	0.4
268.06982	0.4
269.04514	5.2
269.07236	0.5
271.06201	0.5
280.15442	0.4
283.06107	2.2
284.03293	2.3
284.06900	2.5
298.04474	0.8
298.16595	28.7
299.05612	2.8
299.09186	32.9
299.81894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0767
Annotation	2'-METHOXYFORMONETIN
Peak:m/z	Relative Intensity
59.01383	2.0
68.71552	0.3
70.09872	1.4
83.20512	0.3
88.04038	11.3
101.02428	0.6
117.03482	1.1
121.02930	0.7
132.02165	0.8
141.03432	0.3
143.04939	0.4
147.00934	0.5
155.05022	1.3
167.05003	1.1
182.03653	0.4
183.04506	3.6
195.04462	4.8
195.10524	0.3
210.03186	0.6
211.03979	8.8
212.04297	0.5
223.03978	4.3
236.16591	1.6
238.02638	0.9
239.03473	32.3
240.03851	1.8
250.02580	0.6
254.17531	0.7
267.02957	42.4
268.03281	2.6
280.15631	1.5
282.05310	100.0
283.05664	7.4
297.07645	39.5
297.24338	0.5
298.04639	0.5
298.07977	3.5
298.16559	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.6
69.76690	0.5
70.20184	1.6
70.20518	0.7
71.01347	0.7
73.02940	0.5
78.20883	0.5
85.33941	0.6
89.02425	0.7
98.20008	0.8
101.02420	1.1
108.05786	0.5
113.02455	0.6
117.03455	1.4
121.02937	0.7
125.06077	1.7
134.06059	0.9
147.00902	0.6
149.09712	9.4
153.42821	0.6
155.04994	1.2
161.01488	0.5
165.09230	1.2
167.05067	1.1
167.10764	19.5
168.11137	0.7
170.05791	1.6
178.99814	0.7
179.14362	0.7
183.04485	3.0
185.86833	0.5
193.08661	7.0
195.04463	5.3
195.13860	2.0
205.12267	1.5
211.03989	9.6
211.09734	31.6
211.13345	2.6
212.10062	0.8
217.16252	0.6
223.03995	4.3
223.13354	18.3
224.04156	0.6
224.13565	0.7
231.21196	0.5
237.09712	2.0
238.02730	0.8
239.03476	31.1
240.03807	1.7
267.02951	44.8
268.03284	3.5
282.05307	100.0
283.05676	6.7
297.04077	4.4
297.07599	37.0
297.12457	1.2
297.17175	0.7
297.24353	3.5
298.07932	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	298.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04244	0.3
57.03442	0.6
59.01373	3.5
61.98843	0.7
68.03952	0.2
69.03471	0.5
71.01373	0.8
71.11269	0.6
83.05008	0.5
84.34515	0.3
85.02960	0.5
88.04035	100.0
89.02427	0.8
89.04386	1.3
91.01897	3.9
98.22466	0.3
101.02448	0.3
108.02161	0.6
111.08144	1.1
113.02376	0.3
116.05040	1.8
119.05045	0.3
121.02934	0.9
123.04511	0.3
127.29803	0.3
135.00870	6.3
136.01552	0.4
137.02423	0.5
148.01662	0.7
153.01923	1.9
161.02415	1.0
163.11374	0.4
165.11415	0.7
165.12827	13.4
166.13255	0.3
171.04482	2.0
174.99265	0.7
175.33498	0.3
181.12364	1.5
183.04524	0.3
191.10838	0.4
197.06079	0.9
208.72025	0.3
209.11829	0.8
213.05528	0.3
217.00282	2.6
225.05551	2.3
226.08719	0.4
227.03590	0.5
236.16583	0.8
238.11023	0.3
240.04245	0.4
241.05051	3.5
252.04361	0.4
254.17522	0.4
255.02989	0.4
256.03714	0.8
256.07404	2.0
268.03882	0.6
268.06830	0.6
269.04517	3.3
271.06003	0.7
280.15482	0.4
283.06036	1.1
284.03336	2.5
284.06918	1.9
298.04871	0.5
298.07590	0.7
298.16589	27.7
299.05591	2.6
299.09164	20.9
299.16916	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	297.0766
Annotation	Morenone 1
Peak:m/z	Relative Intensity
58.58900	0.9
59.01376	16.0
68.99572	1.2
71.01377	2.2
71.57693	1.2
89.02422	1.4
101.02423	2.1
112.98542	1.3
117.03495	1.0
154.04037	0.9
162.18196	1.0
167.05098	1.2
172.23561	1.1
195.04500	1.6
211.03979	54.1
212.04314	3.7
237.09741	5.1
238.02705	1.3
239.03474	100.0
240.03792	5.8
254.05818	87.5
255.06152	5.9
266.02121	1.3
269.08136	26.5
270.08554	2.8
282.01669	38.3
282.05225	14.0
283.01984	2.4
297.04034	17.6
297.07651	75.8
297.20740	2.4
297.24298	6.1
297.40149	1.2
298.04694	1.5
298.07996	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	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.09424	0.3
56.02671	0.3
57.03427	0.9
59.01374	1.8
66.80536	0.3
70.60767	0.9
93.66890	0.3
113.09722	2.2
150.37025	0.3
171.10095	0.6
177.12901	0.6
179.14388	0.8
181.12302	0.5
195.13889	16.2
196.14218	1.2
233.22729	0.4
268.98444	0.3
277.21698	17.6
278.21988	1.9
295.22751	100.0
296.23080	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03458	0.7
59.01368	1.2
70.60675	1.3
89.28191	0.4
91.67175	0.5
92.68995	0.5
113.09736	0.6
125.09681	1.3
141.12860	0.7
171.10258	30.2
172.10541	1.0
195.13866	2.1
277.21701	36.0
278.22012	3.1
295.22760	100.0
296.23080	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03436	1.2
59.01378	8.1
68.99560	2.4
71.01388	0.7
71.20742	1.3
71.21075	0.8
76.33284	0.6
99.08175	1.0
110.47520	0.6
112.98566	3.3
113.02505	0.8
118.97559	0.9
125.09739	1.2
141.12840	1.1
155.14468	0.9
171.10265	36.6
172.10640	1.6
176.73761	0.8
183.10220	2.7
195.13872	3.0
213.18506	1.0
235.08301	1.4
266.18005	0.7
277.21719	45.1
278.22064	4.5
288.59564	0.9
295.22766	100.0
296.23120	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0403
Annotation	5-Hydroxypseudobaptigenin
Peak:m/z	Relative Intensity
59.01382	2.7
59.48284	0.4
70.90797	0.9
71.01414	0.7
82.22731	0.4
98.84566	0.4
170.03746	0.5
178.99814	0.5
194.03714	1.9
197.02431	0.5
198.03148	0.8
198.80717	0.4
210.03197	11.0
211.03561	0.6
214.02631	0.5
226.02702	19.6
227.03087	1.4
234.07550	0.4
237.09908	0.6
238.02625	2.1
254.02182	45.5
255.02554	2.4
276.58401	0.4
282.01678	89.9
283.01971	7.2
297.04016	100.0
297.24286	0.8
298.04340	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0933
Annotation	Medinoterb acetate
Peak:m/z	Relative Intensity
55.43391	0.6
59.01376	3.0
65.63427	0.6
67.08585	0.6
68.99805	2.1
69.56177	2.9
69.56592	1.6
71.01383	0.9
76.28677	0.7
96.99287	1.5
103.07925	0.6
111.42404	0.6
111.98510	0.6
113.01182	0.9
114.01954	5.1
122.06096	0.7
133.01425	1.5
133.03151	0.7
133.04066	2.5
136.07687	4.6
137.07172	1.5
139.99863	1.6
148.06374	2.7
149.07193	7.8
151.08748	3.1
161.07179	1.2
162.04387	0.7
163.04001	1.1
163.08801	3.0
164.07140	1.7
165.60304	0.6
177.06700	4.9
179.08298	0.9
189.06645	0.6
208.06143	10.5
220.04906	3.9
235.07217	100.0
236.07553	5.5
295.09320	73.4
296.09705	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	295.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84896	0.8
58.02963	4.7
58.14144	0.7
59.01369	1.5
62.34956	0.8
70.42902	2.8
71.01384	1.5
74.02456	3.8
82.02970	1.7
84.04543	3.2
86.02467	1.9
87.28004	0.7
101.07245	0.9
107.02552	1.1
109.04073	6.1
115.00335	1.9
120.12392	0.8
121.02931	3.3
122.03732	30.5
122.05706	0.9
123.04538	16.1
124.01651	2.9
125.03488	0.8
127.05128	92.7
128.03519	8.9
128.05473	1.6
133.01407	3.8
134.03735	6.2
135.04485	3.7
137.02434	4.4
137.06036	1.0
145.06219	4.6
149.06068	2.2
153.02077	0.8
153.25064	0.8
154.02679	3.7
158.51141	0.9
163.99129	0.9
193.07312	1.9
194.08017	0.9
205.07373	1.1
206.08145	1.0
234.09914	1.0
235.10814	9.3
236.11534	2.4
249.12303	1.0
262.09543	2.8
263.10315	23.3
264.10764	1.2
277.11923	12.4
278.12354	1.4
295.12949	100.0
296.13266	7.3
306.39941	0.9
308.17874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
59.01069	0.6
59.01376	11.0
61.98819	0.6
65.30716	0.5
69.43593	3.0
71.01386	1.0
73.02946	0.6
98.20612	0.9
113.09715	0.6
150.47351	0.5
157.08786	0.6
171.10295	0.9
195.13882	19.0
196.14200	1.4
197.15497	1.1
209.15384	0.6
225.14926	16.8
276.12314	0.6
277.18546	0.6
277.21689	23.9
278.22107	2.4
295.22760	100.0
296.23059	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	295.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29137	0.4
57.45113	0.4
59.01378	4.8
69.67077	0.7
69.67480	1.3
71.01379	13.0
72.72221	0.4
72.99312	2.9
75.56512	0.3
76.50146	0.4
87.00878	1.1
89.02454	2.1
98.20565	0.5
115.00371	40.9
116.00738	0.7
133.01425	100.0
134.01772	1.7
134.03714	0.8
135.04515	10.5
147.19856	0.4
175.03983	0.5
179.03502	10.7
180.03836	0.5
203.03543	0.9
248.86674	0.5
251.09262	0.4
270.89432	0.4
289.46439	0.4
295.12872	0.5
295.22623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0456
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
59.01374	3.7
63.25382	0.5
70.41006	1.5
71.01376	12.5
72.99310	2.9
79.87299	0.4
85.02936	0.9
87.00833	0.9
89.02424	2.3
90.03919	0.5
91.13667	0.5
98.19998	0.6
107.05043	0.6
115.00365	41.5
116.00689	0.8
133.01422	100.0
134.01772	2.4
134.03763	0.6
135.03496	0.9
135.04518	13.1
137.02428	0.8
175.08411	0.5
179.03482	12.0
207.13150	0.4
227.99849	0.5
248.68732	0.4
295.08337	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	295.0933
Annotation	Medinoterb acetate
Peak:m/z	Relative Intensity
50.68756	0.3
55.96321	0.3
59.01373	0.7
65.99820	0.4
67.01918	0.3
68.01395	0.3
68.99805	1.9
69.40967	0.6
69.41386	2.1
96.99293	2.1
98.19884	0.4
113.01189	0.9
114.01962	5.2
120.03249	0.6
122.06130	1.3
124.00409	0.4
124.07676	0.4
128.17952	0.3
133.04060	2.4
136.07666	4.3
137.07188	1.0
138.05630	0.7
139.99893	2.1
148.06447	2.2
149.07188	9.3
150.07565	0.3
151.08746	3.5
152.07085	0.3
157.39928	0.3
161.07184	0.8
162.04324	0.4
162.05621	0.7
163.08768	3.3
163.68826	0.3
164.07158	1.2
176.05852	0.6
177.06673	4.7
179.08319	0.6
189.06613	1.0
191.08331	0.5
207.07764	0.3
208.06140	10.1
209.06506	0.4
217.06155	0.6
220.04878	2.8
221.05278	0.5
228.27577	0.3
235.07211	100.0
236.07538	5.5
277.08679	0.3
295.09317	76.4
296.09708	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	295.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47758	0.4
54.71367	0.3
55.01883	1.1
57.03446	2.5
57.46727	0.4
58.00599	2.1
59.01377	52.6
60.01711	0.6
60.99328	0.5
69.03465	0.8
71.01379	36.9
71.05032	1.3
71.56888	0.4
72.01727	0.7
72.99314	3.7
73.02939	3.4
75.00871	24.0
78.95881	0.4
83.01394	3.3
85.02950	10.0
86.00102	0.4
87.00877	3.6
87.04514	4.1
88.04041	0.6
88.98795	1.8
89.02443	42.0
90.02801	0.4
95.01395	1.6
97.02970	1.0
99.00871	3.2
99.04545	0.5
101.02441	20.1
103.00367	14.8
109.02969	0.6
110.02412	0.3
111.00875	2.5
112.01641	0.5
112.98815	5.5
113.02448	11.7
115.00360	6.0
115.04002	9.9
117.01942	0.7
117.05585	0.4
119.02650	0.8
119.03500	14.4
122.02489	0.7
127.04070	0.7
128.03540	1.4
129.01924	1.9
131.03471	2.1
133.01453	1.5
133.05066	19.0
134.03568	0.5
134.05429	0.6
135.04550	0.5
137.03575	0.4
138.05620	0.5
142.99831	2.9
143.03537	2.1
145.01436	2.1
149.04544	1.4
161.04572	2.2
166.05086	0.7
173.00899	2.2
175.06108	0.7
179.05624	2.5
180.06625	0.5
180.10400	0.5
192.04149	0.8
193.03717	0.7
208.03868	0.3
208.09746	2.1
221.03062	1.0
224.02492	0.4
233.09180	0.8
235.08223	1.1
236.03102	0.4
237.06139	8.4
251.07674	0.8
253.09315	1.1
270.88113	0.4
295.10312	100.0
296.07599	0.6
296.10614	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	294.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.7
60.01710	3.2
61.98807	5.7
68.85082	1.5
70.06227	6.8
70.58107	1.4
71.01373	12.1
72.04537	6.9
77.74921	1.3
82.02980	100.0
83.01374	1.8
85.02928	2.1
85.06612	1.4
86.06913	2.0
88.04058	1.8
89.02452	8.2
90.02776	2.8
97.65070	1.4
98.02473	43.1
98.19949	2.5
100.04044	49.3
101.02433	6.8
102.02806	3.4
113.02441	3.6
113.06061	2.1
114.02746	1.9
115.00372	15.8
119.03500	2.9
120.04570	2.0
121.02941	9.6
122.03742	28.6
123.04501	4.4
124.01647	1.6
127.05132	2.8
128.03535	2.8
131.07127	10.3
132.03052	1.9
132.04520	2.4
132.07472	7.7
133.01430	35.4
134.03732	37.0
135.04506	5.7
137.02414	4.6
140.73195	1.6
149.06067	21.6
154.02693	7.1
161.04642	1.9
163.02742	2.0
178.05040	2.5
179.03490	4.7
180.06258	1.5
207.09006	14.5
222.11383	1.5
233.07170	2.0
235.08466	5.0
248.09225	12.5
250.10864	31.3
251.11102	1.8
294.09802	83.2
294.12836	27.6
295.10040	4.6
295.13208	5.7
309.28314	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	294.0982
Annotation	Nitrothal-isopropyl
Peak:m/z	Relative Intensity
52.01893	0.8
57.68813	0.7
58.63237	0.8
59.01377	8.2
71.01382	4.3
71.08652	1.9
72.04536	4.6
72.99297	1.0
82.02979	100.0
83.03299	1.6
89.02419	1.2
93.03496	0.8
98.02473	41.8
99.02805	1.0
100.04037	54.4
101.04382	0.9
102.71777	0.8
108.06435	0.8
114.05604	0.9
115.00368	7.4
120.04568	1.1
121.02954	12.9
122.03733	31.0
123.04501	3.1
124.01659	2.4
127.05125	1.3
133.01431	20.3
134.03731	41.9
135.04564	9.1
137.02426	4.6
137.59970	0.9
149.06067	22.1
150.06404	1.2
154.02731	5.3
178.05103	1.3
179.03554	2.1
188.03128	0.9
207.08974	11.8
222.11331	2.3
232.85558	1.1
234.07593	2.0
235.08508	5.6
248.09238	19.1
249.09706	0.9
250.10823	30.3
251.11288	1.4
294.09821	94.3
295.10104	5.2
295.12918	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	294.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21122	0.8
55.59180	0.8
59.01380	6.4
64.96234	0.8
68.99816	17.0
71.01378	2.8
71.56871	1.7
85.02950	0.8
87.17822	0.8
96.96017	2.2
96.99310	13.1
97.05203	0.8
97.33405	0.8
101.02458	0.8
107.03767	1.0
134.09792	1.5
136.11317	26.8
137.11684	1.3
148.11346	1.0
160.11256	2.4
176.10793	3.2
177.04300	1.7
178.12360	29.4
179.12671	1.7
179.14351	1.8
188.10754	1.1
206.11853	28.4
207.12227	2.5
209.03506	0.9
234.11349	90.9
235.11642	4.7
243.95816	0.9
267.06595	1.0
294.13474	100.0
295.06155	1.6
295.13828	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.3
69.18991	9.7
75.81175	0.9
76.60744	0.9
87.67203	0.9
121.10235	28.3
125.09698	1.2
171.10265	57.8
172.10635	1.6
185.11870	1.1
231.21150	3.5
275.20135	100.0
276.20493	9.4
293.21210	61.6
294.21490	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88793	4.2
72.95787	0.8
84.05579	0.7
124.50784	0.9
144.46609	0.8
164.63130	0.8
180.04736	0.8
195.13898	11.1
196.14449	2.2
205.12267	1.2
223.13374	10.7
239.83354	1.0
256.13168	3.9
257.57455	0.9
275.20169	9.2
293.21219	100.0
294.21527	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83754	0.5
57.03452	4.6
58.03987	0.6
59.01363	2.4
59.70180	0.5
61.71682	0.5
65.53102	0.6
65.75654	0.6
69.47886	3.1
69.48306	1.5
94.32919	0.5
97.06596	0.7
108.80221	0.6
113.09715	21.4
114.10069	0.8
121.10195	1.2
139.11285	2.1
149.09705	0.6
167.10742	1.9
171.10234	2.6
177.12862	1.1
179.10771	1.4
195.13838	3.6
201.66740	0.6
249.22322	1.2
275.20148	3.9
293.21207	100.0
294.21533	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
57.05065	0.4
58.81546	0.5
58.90078	0.5
70.42041	1.0
70.42406	1.0
71.67175	0.5
72.56527	0.5
97.06599	0.8
104.95306	0.5
123.08184	0.9
124.16755	0.5
125.09735	4.9
141.12860	1.2
149.09735	1.6
185.11829	10.9
197.11784	2.2
221.15453	0.7
237.18633	0.6
275.20013	0.9
293.21216	100.0
294.21548	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74657	0.5
57.03424	1.2
59.01370	2.8
61.98820	0.7
69.03448	0.7
69.58115	2.8
71.01354	1.1
83.05025	1.0
85.48012	0.5
92.02316	0.5
96.96010	0.9
113.09690	0.7
123.08149	1.1
136.08893	1.1
139.11252	0.6
146.74072	0.5
151.11246	2.0
152.91724	0.8
153.05589	0.5
153.09177	0.6
153.12932	0.5
163.66675	0.5
167.14453	0.5
169.12344	2.7
171.10275	0.8
192.11606	0.9
193.15926	2.0
194.92787	0.9
195.13869	0.6
197.11815	30.4
198.12160	1.3
220.14641	4.7
221.15453	8.3
231.21056	0.9
232.87535	0.8
236.10515	6.3
237.10812	0.6
249.22159	0.7
275.20139	20.6
276.20441	1.7
293.21198	100.0
294.21512	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	293.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60865	0.2
55.49620	0.3
55.87383	0.2
59.01345	0.3
70.30773	0.3
70.31123	0.7
71.01380	7.8
84.30122	0.2
92.22808	0.3
127.07629	1.0
148.05293	0.9
151.07626	0.7
152.91733	0.5
164.08467	1.2
177.09216	5.3
190.09946	0.3
192.11560	6.9
193.12050	0.7
193.74197	0.2
194.92650	0.2
205.12329	7.8
206.12634	0.5
207.13936	1.2
217.08708	0.5
218.09489	2.1
220.14677	49.9
221.15451	100.0
222.15778	6.8
235.13419	1.3
236.10524	71.9
237.10890	4.5
253.14317	0.3
293.17615	10.6
293.21130	1.1
294.18027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34634	0.4
67.95763	0.4
71.01377	0.5
73.85790	0.4
79.95356	0.5
79.95721	2.0
80.22396	0.4
90.76078	0.4
95.95229	0.4
96.96003	100.0
102.24992	0.4
112.71898	0.4
115.00790	0.4
218.42952	0.4
220.14661	1.8
221.15430	4.5
236.10541	2.6
293.17896	80.7
294.18176	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	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03437	0.8
58.00579	1.3
59.01376	38.7
70.41154	1.3
70.41548	1.9
71.01379	18.2
72.99319	1.4
73.02946	1.0
78.99454	0.6
82.02992	1.1
83.01386	1.4
85.02934	5.4
85.06589	13.5
87.00888	1.0
87.09119	0.6
89.02439	21.2
95.01391	1.0
98.02529	1.0
98.19964	0.7
99.00873	0.7
100.04065	0.8
100.54263	0.8
101.02438	12.9
113.02454	7.4
113.06075	3.6
115.07634	2.1
119.03491	8.0
120.04540	2.3
127.05112	1.1
127.07607	1.7
128.03519	1.8
130.08728	0.9
131.07135	60.7
132.07449	0.9
133.02901	1.4
145.06190	1.6
145.08678	2.5
148.06287	1.3
164.03542	1.4
173.08151	2.1
179.05585	0.9
196.65691	0.6
206.04581	0.7
221.60654	0.6
226.11653	0.6
257.05722	0.7
293.12396	100.0
294.06070	0.9
294.09555	1.0
294.12668	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03445	1.5
58.00556	0.7
59.01377	100.0
60.01712	0.8
62.53346	0.5
63.28173	0.7
70.66735	2.1
71.01377	19.5
72.99302	0.9
73.02948	7.0
75.00867	1.0
83.01398	4.0
84.41207	0.5
85.02952	9.6
87.00881	1.1
89.02451	5.3
89.06075	0.7
95.01414	2.4
99.00858	3.4
101.02440	17.0
101.03107	1.0
108.54979	0.6
112.22067	0.7
113.02447	7.6
113.03167	0.8
114.02028	0.9
118.23150	0.7
119.03504	1.6
121.05456	0.7
122.53825	0.6
125.07298	0.5
131.07184	0.7
133.03067	0.7
143.03465	0.9
144.03046	0.7
159.03027	1.9
161.04549	14.5
164.07268	0.9
210.19728	0.6
251.11319	34.1
252.11771	1.7
293.07681	1.8
293.12549	3.2
293.21213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36962	0.5
55.01880	1.3
57.03431	2.5
58.00574	2.2
58.62263	0.7
59.01377	46.4
65.97066	0.7
69.23135	6.7
71.01378	26.5
72.04537	1.1
72.99295	2.4
73.02943	1.5
75.75605	0.7
82.02475	0.8
82.02978	15.4
83.01373	1.9
84.04559	0.7
85.02946	5.2
85.06586	13.6
87.00873	2.4
89.02440	31.6
92.05069	3.1
95.01376	1.8
95.80057	0.6
96.95994	1.0
98.02472	6.0
100.00396	1.4
100.04031	7.3
101.02441	18.0
113.02458	10.1
113.06082	7.3
115.07610	1.6
119.03504	10.3
120.04566	7.2
121.02921	1.5
122.03736	4.3
123.04534	0.7
127.05106	2.2
127.07625	2.2
128.03511	6.8
131.03462	1.1
131.07137	62.5
132.07463	1.0
133.02960	3.3
134.03720	6.0
137.02432	1.0
143.03476	0.9
145.06171	2.3
147.04462	1.1
148.06270	1.4
149.04646	1.4
149.06049	3.6
154.02641	1.2
161.04555	2.0
163.05109	1.1
164.03519	2.8
164.07188	3.4
173.08183	1.4
179.05582	2.3
207.08926	2.0
248.09290	1.6
249.08772	2.1
250.10789	4.9
275.06763	1.3
275.10291	1.0
293.07861	3.6
293.12405	100.0
293.21207	2.6
294.09811	13.9
294.12799	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	292.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
69.54696	1.3
69.55120	2.6
71.01380	2.3
76.47204	0.6
79.41556	0.6
85.04073	2.2
90.03486	0.9
93.44302	0.6
96.96021	1.7
98.20612	1.1
104.05059	4.5
105.01926	3.1
105.03451	1.2
116.05022	1.1
120.04589	0.8
130.06604	1.0
131.03738	4.9
132.04547	55.8
133.02951	8.1
133.04880	2.2
133.06941	3.8
134.04720	0.9
134.07243	2.1
144.04602	0.7
144.42290	0.6
146.06047	0.7
148.04070	1.2
157.06239	3.3
158.02560	0.7
158.06340	2.2
160.04028	98.3
161.04384	4.4
162.05632	0.6
174.05586	12.3
176.03526	1.7
177.01941	3.5
184.04019	1.9
186.01949	1.8
186.05589	8.4
188.03549	1.6
189.70125	0.7
192.02969	1.5
202.01363	0.9
202.05115	1.0
204.02998	100.0
205.03317	4.3
211.84692	0.6
236.68765	0.5
248.05673	0.6
275.10263	0.7
292.04861	1.1
292.14233	3.4
293.07217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31936	0.5
57.03458	0.9
58.02964	0.9
58.93410	0.6
59.01371	3.6
63.97945	0.5
71.01386	1.2
71.55821	0.7
93.03498	0.6
95.91642	0.6
113.09716	0.8
128.21648	0.6
140.79245	0.5
143.40587	0.6
152.91792	1.8
156.13927	100.0
157.14278	3.7
166.13246	1.4
185.11795	1.2
192.11557	1.4
194.92786	1.7
196.74911	0.6
197.11803	0.7
200.12915	5.6
220.14740	4.1
221.15471	9.3
232.87383	0.7
233.10443	0.6
236.10522	6.4
248.21056	1.8
274.18954	1.3
275.20154	1.1
292.19965	27.6
292.23257	1.4
293.17593	1.4
293.21146	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	292.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	0.8
59.01375	3.2
70.68265	1.0
71.01383	1.2
75.45599	0.4
83.02329	0.4
91.59043	0.4
96.95999	0.4
109.63470	0.4
117.03496	1.2
121.10237	0.5
140.13222	0.4
145.76837	0.4
152.91740	1.5
156.13930	100.0
157.14268	4.4
171.10297	0.7
192.11501	0.6
194.92810	1.1
195.13837	0.4
200.12910	4.7
216.45268	0.4
220.14658	3.8
221.15463	8.4
223.55566	0.4
232.87422	1.2
233.10213	0.6
236.10504	6.0
250.88428	1.1
254.85678	0.6
275.20221	1.2
292.19922	8.4
293.04596	4.5
293.17691	1.2
293.21167	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	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01373	0.5
66.42895	0.2
66.80755	0.3
92.37919	0.2
95.05013	0.3
97.06578	0.6
110.32571	0.3
117.21103	0.3
119.04974	0.3
121.02941	0.3
125.06061	0.6
125.76843	0.3
148.08922	1.1
150.10492	1.5
151.11295	0.3
163.11264	0.9
165.12839	20.5
166.13165	0.6
175.06610	0.3
176.12022	0.8
177.12776	0.4
179.14348	0.4
189.12994	0.3
191.14359	0.9
217.15889	0.5
247.20644	10.3
247.23146	0.6
248.20909	0.6
273.18585	5.5
274.18997	0.6
291.19641	100.0
292.19971	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	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.65856	0.4
59.01366	1.1
70.13863	0.4
70.14189	1.4
73.02943	44.5
74.03275	0.4
77.96909	0.4
85.52495	0.4
93.09635	0.4
95.21143	0.4
111.08123	0.4
119.05097	0.4
121.02949	0.9
162.10675	0.4
197.05078	0.4
254.11983	0.5
273.18503	0.7
291.19638	100.0
292.19983	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82314	0.3
54.62637	0.4
57.03443	1.7
59.01363	1.4
66.78100	0.3
69.03461	0.4
71.01385	0.5
71.12025	0.4
71.12354	0.5
83.05013	0.7
85.02937	0.4
93.07088	0.9
95.05013	0.7
96.95998	0.3
97.06578	1.4
109.06629	0.3
111.08145	3.5
121.02930	1.0
121.10231	10.2
123.08181	1.0
125.09725	4.9
141.12874	1.0
149.09760	0.5
151.11353	0.5
165.12817	0.6
167.10718	0.8
177.12796	0.7
179.10866	0.6
185.10207	0.7
185.11815	10.1
186.12268	0.6
195.13896	2.5
197.11836	2.5
205.72743	0.3
209.11740	0.9
211.13432	1.1
219.17467	0.4
223.13425	0.8
247.20651	1.3
254.85368	0.4
263.20111	0.9
273.18497	1.3
291.19644	100.0
292.19986	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30613	0.3
57.03439	1.8
59.01375	0.7
60.71762	0.3
70.57852	1.0
83.05016	0.5
87.91905	0.3
93.07100	0.8
97.06577	1.5
100.13333	0.3
111.08174	0.8
121.10231	12.6
122.10580	0.3
123.08146	1.2
125.09737	6.5
127.11287	0.5
139.11305	0.4
141.12837	1.3
146.43474	0.3
147.08133	1.1
153.12811	0.5
165.12842	0.4
175.13940	0.3
182.72452	0.3
185.11807	13.6
186.12090	0.5
195.13823	0.5
197.11871	3.0
199.47946	0.3
209.11853	1.6
211.13495	1.8
211.15199	0.3
223.13429	0.6
244.54803	0.3
247.13548	0.6
247.20653	1.8
263.20288	0.5
268.09189	0.3
273.18655	1.5
289.18073	0.4
291.19641	100.0
292.19974	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	291.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.7
59.01379	100.0
60.01703	0.8
63.45812	0.4
69.57944	2.7
71.01385	5.2
73.02941	2.3
75.93978	0.4
75.95904	0.4
77.46604	0.5
83.01384	1.1
85.02958	2.8
96.96037	0.7
99.00883	0.9
101.02437	7.4
113.02470	1.5
128.42867	0.4
159.03044	0.8
161.04567	2.2
237.46704	0.5
242.34744	0.4
249.13437	8.5
249.39801	0.5
291.19681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34158	0.4
57.03432	1.5
59.01372	3.0
69.03446	0.4
70.32875	1.6
71.05022	1.6
83.05013	0.9
88.90946	0.4
95.04995	1.0
97.06608	0.8
108.75596	0.4
109.06564	0.5
111.08160	12.6
121.02932	0.5
123.08150	0.6
135.11790	0.6
137.09698	1.3
149.09741	0.8
153.43430	0.4
157.50412	0.4
164.56949	0.4
165.12764	0.5
167.10756	2.5
167.13179	0.5
177.12874	2.7
179.10760	1.9
193.16052	0.4
195.13898	7.7
209.04457	0.7
211.47542	0.4
247.20679	2.7
248.20801	0.6
273.18607	2.0
291.19641	100.0
292.19986	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	291.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41424	0.8
52.82465	0.7
59.01369	3.7
61.98818	1.1
71.01380	21.2
71.54946	0.9
82.02971	3.3
85.04070	52.0
87.02744	5.3
88.04029	1.4
102.00137	0.8
104.05020	1.2
105.01910	1.0
109.02966	1.2
119.02849	7.6
119.05019	1.3
121.70883	0.8
124.04015	2.0
131.03784	1.5
131.05347	3.7
132.04549	12.6
133.06926	100.0
134.07228	2.8
136.03999	2.7
138.05624	1.3
143.04594	2.4
150.62090	0.9
150.63496	0.9
152.03532	1.1
157.06177	95.0
158.06456	2.7
160.04041	20.3
174.05605	3.3
186.05600	2.3
204.02998	22.6
231.11232	0.9
261.12460	1.3
285.83676	0.8
291.09808	3.8
291.13831	75.5
291.19537	5.6
292.08313	1.3
292.13974	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	290.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.32220	11.1
81.65172	1.2
96.96000	1.2
278.62939	1.3
291.19772	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1384
Annotation	Elisabatin B
Peak:m/z	Relative Intensity
50.04005	0.7
50.89357	0.7
52.24274	0.7
59.01374	3.2
61.98820	0.9
69.45383	5.4
71.01376	24.5
78.95817	0.7
82.02998	2.3
85.04069	49.8
87.02752	3.5
88.04044	1.8
96.57645	0.7
98.20630	1.5
104.05066	1.1
105.01923	0.9
119.02823	6.2
121.02908	1.2
131.03751	0.9
131.05356	2.7
132.04558	12.4
133.06926	100.0
134.07269	2.9
143.04582	1.0
143.07120	0.8
148.04024	0.9
155.03537	1.2
157.06177	87.0
158.06508	2.1
160.04024	19.8
164.52657	0.9
166.94560	0.7
174.05553	2.1
186.05565	1.5
193.11963	0.7
198.48894	0.8
204.01234	1.3
204.03004	19.8
212.03040	1.0
286.92194	0.9
291.13828	76.0
292.14105	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	289.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10055	0.8
52.92970	0.8
55.01877	9.8
55.41638	0.8
57.03444	6.1
58.00590	1.2
59.01376	41.8
69.03444	1.3
69.45514	5.5
69.49370	0.8
71.01378	100.0
71.05019	1.9
72.01719	1.5
72.99285	2.1
73.02944	35.1
73.03359	1.8
75.00872	1.6
79.81736	0.7
81.03479	0.9
83.01389	18.7
84.01680	1.0
85.02946	48.3
86.03299	0.9
87.00870	4.1
89.02448	7.9
95.01381	9.1
97.02943	2.0
99.00879	16.8
101.02439	70.5
102.02785	1.4
113.02441	40.7
119.03520	1.0
125.02446	2.1
127.11299	4.3
129.01907	1.4
143.03476	1.5
159.02956	7.8
161.04552	21.4
184.17790	1.0
289.16461	4.4
313.51392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79441	0.2
69.38864	0.2
69.39269	1.0
71.13305	0.2
75.09515	0.1
79.95731	1.2
80.11566	0.1
96.96003	100.0
97.95931	0.2
100.53706	0.1
126.85071	0.1
160.02507	0.1
180.37587	0.2
289.11124	25.1
290.11423	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	289.1115
Annotation	Carbinoxamine
Peak:m/z	Relative Intensity
59.01369	0.3
69.52354	0.9
69.52761	0.6
73.08920	0.3
79.95699	1.7
84.11349	0.2
85.02937	0.3
88.06872	0.2
95.95240	0.3
96.19474	0.2
96.96003	100.0
97.12044	0.2
97.12656	0.2
97.95916	0.4
98.95570	0.7
135.04521	0.3
181.78693	0.2
193.65154	0.3
214.99846	0.5
219.06529	0.4
230.02184	0.4
289.11130	42.8
290.11517	2.8
305.79099	0.3
312.45511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79441	0.2
69.38864	0.2
69.39269	1.0
71.13305	0.2
75.09515	0.1
79.95731	1.2
80.11566	0.1
96.96003	100.0
97.95931	0.2
100.53706	0.1
126.85071	0.1
160.02507	0.1
180.37587	0.2
289.11124	25.1
290.11423	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	289.1193
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
55.72014	0.3
59.01364	1.0
71.57564	0.3
79.95731	0.8
80.05050	1.8
81.03470	0.4
92.05059	4.4
94.02985	0.7
94.06619	10.3
95.05031	0.4
96.96007	7.7
98.95596	1.6
98.96410	0.4
103.04281	0.4
104.05051	2.9
105.03440	2.3
106.02987	0.4
106.06619	35.5
107.03761	1.5
107.06972	1.1
108.04561	2.9
110.02464	1.0
120.04546	11.7
121.05383	3.4
122.02501	1.2
122.06117	33.0
123.03247	5.8
123.06448	1.0
124.07658	1.4
131.03737	1.1
132.03656	0.7
132.04547	7.4
134.06076	0.4
135.03256	1.1
136.04018	1.4
138.05600	60.4
139.05943	1.5
140.07193	2.8
140.44646	0.4
144.08142	0.6
147.03252	0.6
148.04019	3.1
150.05591	20.8
151.05949	0.8
152.07199	0.4
158.06015	0.7
158.09766	0.6
159.06906	2.6
166.05063	5.0
172.07649	1.0
172.11295	0.5
173.07193	0.4
173.08423	1.8
174.12859	3.0
184.11324	2.1
185.11812	0.5
186.09369	0.5
187.10020	0.9
188.07153	2.4
188.10915	0.5
189.07953	5.6
197.07185	1.0
198.07970	0.7
199.05013	0.6
200.05879	1.1
200.09349	0.6
200.10950	0.7
202.08777	1.1
202.12363	6.6
203.09486	3.0
203.12556	0.5
205.55983	0.3
212.09558	1.4
213.06590	2.8
213.10014	0.5
214.07419	0.6
215.11877	6.7
216.12161	0.5
217.07402	12.2
218.07658	0.6
218.11795	0.9
225.10222	0.5
226.07454	1.6
227.08223	1.9
227.11917	1.7
228.08685	2.4
229.09729	2.3
231.08981	4.9
231.11377	2.3
241.06139	0.7
241.09811	9.6
242.07018	0.8
242.10321	1.4
243.11351	10.9
244.11684	0.8
245.12955	0.4
246.11333	8.7
253.09747	1.0
256.08475	1.1
259.10825	7.1
271.10855	19.2
272.11258	1.3
289.11899	100.0
290.12204	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	287.15
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
52.18540	0.5
55.29357	0.5
56.28161	0.5
57.03453	1.7
59.01376	100.0
61.82642	0.5
64.28607	0.5
69.58598	2.9
71.01398	0.5
96.96011	19.6
97.06587	0.8
99.04521	1.8
165.12836	1.8
167.10719	0.7
189.12804	0.5
207.13925	2.7
209.11797	8.2
225.14981	5.1
227.12865	51.7
228.13168	2.6
243.59721	0.5
251.12906	2.8
269.13895	16.2
270.14313	0.9
287.14981	98.3
288.15271	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	287.2227
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
59.01380	2.5
59.06472	0.5
61.98828	1.1
68.99515	0.8
71.03358	0.6
71.03706	0.6
74.46940	0.6
75.04777	0.5
78.95914	0.9
80.96308	1.0
99.08160	1.6
106.04770	0.5
112.98522	0.7
141.12842	1.5
163.06009	0.9
168.94092	0.5
169.92560	0.6
213.14844	0.6
223.13293	1.0
241.21777	1.3
269.21106	2.8
285.20569	2.6
287.22256	100.0
288.22580	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	288.1602
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01366	0.8
60.37760	0.3
61.98833	0.3
69.71609	0.7
69.72020	1.1
81.03452	1.4
84.43111	0.3
92.05044	0.9
93.03459	1.4
98.19836	0.3
101.80666	0.3
103.27935	0.3
107.03740	0.3
108.02161	0.8
108.04563	4.5
109.02943	4.8
109.06602	0.4
134.02473	34.9
135.03276	8.1
136.04036	35.9
137.02408	1.2
137.04349	0.9
148.04047	0.6
149.04823	1.1
176.03517	4.1
181.03647	0.4
182.84932	0.3
190.05083	0.4
197.90074	0.4
288.16031	100.0
289.15967	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	287.0924
Annotation	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
53.56375	0.4
57.49928	0.5
59.01374	1.3
59.79272	0.4
61.98823	0.7
71.12664	1.0
77.34583	0.4
80.02680	1.7
80.15774	0.5
95.01372	0.7
108.02172	49.6
109.02953	16.3
110.03277	0.5
112.83064	0.5
121.02958	17.3
122.03754	1.7
123.00903	1.3
123.04523	100.0
124.04870	2.8
135.00848	1.2
148.01663	32.7
149.01997	1.6
155.08029	0.5
163.04015	15.5
172.54410	0.6
208.43997	0.5
211.03979	1.8
239.03459	4.2
240.03897	0.5
254.05859	6.4
255.06108	1.1
257.04581	2.2
272.06860	6.9
287.09235	57.9
287.22119	0.8
288.09525	4.1
288.19742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0924
Annotation	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
58.28650	0.3
59.01365	1.6
63.66182	0.4
65.03965	0.6
67.01903	0.6
69.80613	1.5
80.02673	1.9
93.03460	1.3
95.01371	0.4
96.96002	0.5
97.06562	0.3
103.69094	0.4
107.01363	0.4
107.05024	1.4
108.02166	46.2
109.03028	3.1
119.05029	0.4
121.02939	3.4
123.00900	7.4
123.04517	82.9
124.01653	0.5
124.04813	2.2
125.02402	0.5
125.73774	0.3
133.02966	0.9
135.04527	9.5
136.01701	1.0
137.02452	4.4
146.92947	0.3
148.01643	1.4
148.69748	0.3
149.02426	1.9
150.03255	0.7
151.03992	2.3
163.03986	3.1
165.01920	58.6
166.02693	15.8
167.03111	0.7
179.03484	21.3
180.04167	1.9
181.05057	13.6
182.05428	0.7
198.01735	0.9
208.05223	0.5
209.06070	0.9
212.03256	1.5
223.54309	0.3
227.12991	0.5
234.53049	0.4
237.05487	1.4
263.97012	0.4
269.08005	0.7
282.37619	0.3
287.09225	100.0
288.09558	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	287.0923
Annotation	1-Hydroxy-3-(4-hydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propanone
Peak:m/z	Relative Intensity
59.01368	2.6
59.05876	0.8
61.98819	1.3
67.36349	0.8
70.15173	3.6
80.02654	1.5
95.01365	1.0
96.95992	4.6
98.20039	0.9
98.85152	0.8
99.00880	0.9
108.02169	46.9
109.02366	1.2
109.02974	17.5
113.30798	0.9
121.02948	18.6
122.03704	2.9
123.00880	1.6
123.04519	100.0
124.04855	1.5
148.01660	34.1
163.04001	15.9
170.88327	1.2
198.30165	0.9
203.14703	0.8
211.04060	1.4
225.01949	0.9
239.03481	3.0
254.05826	7.4
257.04575	2.0
272.06894	6.2
287.09229	56.0
287.21979	3.0
287.24454	2.8
288.09534	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	287.0923
Annotation	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
59.01375	1.5
61.98820	0.5
65.03959	0.6
67.01891	0.7
68.04762	0.5
68.99567	0.4
71.25817	0.9
80.02673	1.2
83.01398	0.5
83.16824	0.5
95.01383	0.8
99.00938	0.5
108.02169	48.7
109.02960	16.8
121.02948	19.3
122.03738	2.4
123.00884	1.7
123.04520	100.0
124.04826	3.0
135.00861	0.8
137.06104	0.8
148.01656	33.5
149.01999	1.3
153.02037	0.5
163.04005	15.2
168.97501	0.4
200.06627	0.4
211.04039	1.0
212.56474	0.4
239.03470	5.4
254.05818	6.7
257.04639	2.3
272.06900	6.7
287.09232	58.8
287.22211	0.7
288.09567	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	287.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
63.02394	2.2
65.00320	11.0
66.88553	0.3
69.84068	1.7
82.55045	0.3
83.01384	5.0
96.96017	0.7
102.95150	0.3
107.01391	17.3
107.05013	0.8
108.01680	0.6
108.95708	0.3
109.02946	2.0
115.68710	0.3
121.02925	1.0
125.02451	4.5
134.03766	1.5
135.04521	100.0
136.04857	3.8
137.02408	1.2
151.00362	96.1
151.11258	1.4
152.00687	3.2
157.70818	0.4
161.02458	1.2
165.01877	0.9
169.01387	0.8
169.12335	4.5
177.01924	0.5
211.04004	0.4
213.11426	1.6
227.03403	0.9
255.03003	3.5
269.04684	0.5
272.06839	0.6
287.05612	17.9
287.08801	0.6
287.14835	1.9
288.05936	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	287.056
Annotation	Monodictyphenone
Peak:m/z	Relative Intensity
50.58271	0.1
59.01381	0.3
61.98835	0.2
65.03960	6.7
67.01886	2.4
67.35768	0.2
71.25301	0.4
78.76151	0.1
90.92730	0.2
91.01885	0.3
99.46413	0.2
108.02187	0.5
109.02946	100.0
110.03274	2.7
115.65318	0.1
123.04495	0.4
135.00880	0.7
148.97653	0.2
163.00410	1.1
165.87639	0.1
200.04779	0.2
226.02715	1.0
239.97141	0.2
263.15900	0.2
269.04468	0.7
287.05661	1.6
288.05670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01367	5.3
69.47857	5.0
71.01376	2.0
77.97713	0.8
83.01395	1.6
83.05036	1.2
85.02962	2.4
86.47537	0.7
87.00918	0.8
95.05114	0.9
98.20631	0.9
103.86471	0.8
113.01769	0.9
113.02470	1.7
115.03976	0.9
125.02454	6.4
135.04462	0.9
145.04071	1.2
151.00415	1.7
157.07683	1.8
173.03551	4.1
177.05603	1.3
178.99878	0.9
179.64278	0.8
183.05630	11.3
199.04141	0.8
214.01036	0.9
215.04611	32.9
216.05048	1.4
225.06615	1.5
228.54788	0.8
243.07828	5.1
245.95374	0.7
259.06058	4.0
285.04092	3.5
286.04471	0.8
287.06732	100.0
287.14929	6.4
288.06906	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	287.0918
Annotation	1-Hydroxy-3-(4-hydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propanone
Peak:m/z	Relative Intensity
52.45421	0.4
57.03450	0.5
59.01373	2.2
61.51551	0.5
61.98842	0.4
65.03977	0.6
71.01375	0.6
71.55690	0.5
74.02456	0.5
80.02685	2.0
87.00862	0.4
93.03467	1.3
99.04514	0.5
102.89782	0.4
107.05029	1.3
108.02170	46.5
109.03018	3.4
119.05060	0.7
121.02955	3.9
122.03741	0.6
123.00904	6.0
123.04519	82.7
124.01589	0.6
124.04847	2.4
133.03026	1.0
135.00864	0.8
135.04515	10.3
136.01668	1.7
137.02429	4.3
148.01662	1.2
149.02431	2.2
151.03983	2.8
152.07172	0.6
159.59023	0.4
162.03275	0.5
162.05615	0.5
163.04018	3.1
165.01920	58.2
166.02701	13.1
167.03175	0.7
170.14305	0.4
179.03488	23.3
180.04175	1.2
181.05054	12.7
181.06593	0.9
198.01746	0.8
209.06125	0.8
212.03285	1.5
214.54718	0.4
227.12816	0.6
237.05576	0.8
287.09229	100.0
288.09576	7.5
288.12482	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	285.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14050	0.7
65.00314	3.0
66.96370	0.7
68.99794	0.6
69.69292	2.7
69.69703	1.4
72.64883	0.7
77.95730	0.7
82.00610	0.9
87.68334	0.7
94.00603	1.8
95.01363	2.4
96.02132	1.0
100.39364	0.7
107.01367	1.1
108.02167	0.7
109.02928	1.0
110.00095	7.6
111.00849	1.9
112.15605	0.6
122.00079	3.4
123.00879	21.8
124.01669	16.5
133.20091	0.7
135.00819	0.8
137.02449	0.8
137.99557	1.5
138.03137	0.8
139.03972	0.7
145.06540	0.8
145.82494	0.6
149.99565	14.8
151.00363	19.4
152.01157	8.3
159.04459	1.1
164.01096	1.4
165.01828	1.1
165.99060	3.6
176.00972	0.8
178.99860	13.7
185.06082	0.9
187.03986	1.1
189.05467	1.1
198.06798	0.7
201.05582	1.7
211.13397	6.5
213.05536	2.4
224.04816	6.1
225.05438	0.9
239.03418	1.1
239.07167	0.8
239.24037	0.7
242.05841	1.6
252.04240	3.9
255.03017	0.8
256.80252	0.8
257.04486	4.8
267.06638	3.4
270.05304	35.4
271.05609	3.5
285.04108	8.6
285.07635	100.0
286.07971	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	285.0767
Annotation	(-)-Alpinone
Peak:m/z	Relative Intensity
59.01374	0.4
63.02378	0.3
65.00321	11.5
66.00665	0.2
67.88763	0.2
70.08225	0.2
71.55891	0.3
73.20974	0.2
74.60651	0.2
89.00327	3.2
91.01889	2.3
93.03453	18.3
94.03819	0.4
97.02944	9.1
107.01374	0.3
108.02176	0.6
110.00147	0.2
117.03476	0.3
119.05020	100.0
120.05350	3.2
121.02953	4.5
136.01666	0.4
139.03995	0.3
145.02962	1.2
148.01607	0.3
149.99588	4.2
151.00319	0.2
154.46100	0.2
163.00394	0.2
164.01122	1.0
165.01920	53.4
166.02240	1.5
173.26862	0.2
176.01158	0.4
177.01865	0.4
179.03491	0.8
183.02911	0.4
183.13948	0.3
191.03476	1.2
195.56589	0.2
196.00127	0.4
211.13371	4.6
216.58278	0.2
252.04285	0.4
269.04510	0.6
270.04202	1.0
284.26782	0.4
285.07663	47.6
286.08017	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	285.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44709	0.4
62.76879	0.4
65.00324	2.2
69.53377	2.9
72.99297	0.4
79.01854	0.5
83.01372	0.5
88.63497	0.4
94.00612	1.5
95.01383	2.7
95.02491	1.0
96.02164	1.3
103.93539	0.4
106.00624	0.4
107.01370	1.5
108.02169	1.3
110.00097	2.6
111.00859	1.1
121.02921	0.4
122.00069	3.1
123.00880	19.5
124.01664	18.0
128.01151	0.7
135.00908	0.4
137.02467	0.6
149.02403	2.1
149.99576	15.3
151.00360	18.9
152.01158	8.6
164.01091	0.8
165.01927	1.2
178.99849	14.6
179.03362	0.7
185.01595	0.4
185.06177	0.4
197.06052	0.5
198.06767	0.5
199.03954	0.4
201.05540	1.6
213.05536	1.5
214.06343	0.5
223.04039	0.7
224.04805	7.1
225.05380	1.1
226.06233	0.4
239.07095	1.5
241.04985	0.7
242.05856	2.7
243.06119	0.4
252.04286	4.7
253.04994	1.0
257.08163	0.5
267.06503	4.5
268.07034	0.5
270.05307	33.6
271.05682	2.1
285.07657	100.0
286.08005	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	287.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59842	0.2
53.62951	0.2
57.03444	16.0
58.03811	0.3
59.01394	0.3
65.00330	0.3
81.03445	2.4
83.01385	7.4
83.01888	0.5
96.95999	0.4
107.01416	0.3
109.02944	0.9
115.95452	0.2
121.02953	0.3
123.04519	0.4
125.02441	100.0
126.02784	2.5
133.02942	4.0
135.04501	0.8
149.02490	0.4
149.06085	1.5
159.04538	0.7
161.02431	40.4
162.02811	1.5
165.01903	1.2
177.01912	0.9
177.05544	3.7
201.05550	0.7
226.02666	0.3
228.04187	0.4
243.06505	0.3
287.05591	30.0
287.14825	1.2
288.05927	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	285.0768
Annotation	Vestitone
Peak:m/z	Relative Intensity
51.63313	0.3
55.25458	0.3
59.01381	1.7
61.54432	0.4
61.98820	0.3
64.58426	0.4
66.36746	0.4
69.49193	0.7
69.49606	1.5
73.65865	0.4
89.03925	0.5
95.01376	0.5
104.31644	0.4
108.02196	2.2
109.02917	1.6
118.61146	0.4
121.02951	2.8
123.00889	0.4
131.32182	0.3
133.02946	3.6
137.02417	1.1
138.03217	0.8
139.03984	0.9
148.01665	3.6
149.02357	0.5
159.04495	1.0
160.05180	0.4
161.02466	2.4
163.03986	2.2
172.05299	0.7
181.06551	0.7
183.04567	1.8
184.05193	0.5
185.06038	1.0
186.03198	1.1
187.03955	2.5
197.06007	0.4
198.06503	0.4
199.03952	1.1
200.04773	0.7
201.05511	0.5
207.04372	0.3
208.05240	0.4
209.06062	2.4
211.04037	1.6
211.13403	4.6
213.05522	0.7
224.04930	0.4
225.05531	3.8
226.06335	1.0
227.03485	8.0
228.04192	2.4
240.04280	1.0
241.05037	4.6
241.08775	1.0
242.05739	1.4
243.06491	0.4
251.03387	0.5
252.04185	1.0
253.05060	10.0
254.05519	0.5
255.02980	4.0
260.03159	0.9
267.06656	0.5
269.04535	6.5
270.05307	33.3
271.05661	2.8
274.04736	0.6
284.26755	1.1
285.07657	100.0
286.08002	6.8
302.04187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86512	0.6
59.01383	0.8
61.60008	0.5
65.00316	4.4
68.99826	1.4
69.87689	1.6
72.99303	1.7
73.15307	0.5
82.00609	1.6
84.99317	0.5
93.03471	1.0
93.91309	0.5
96.99274	0.6
98.20496	1.0
110.00090	66.9
111.00356	0.9
118.67273	0.5
119.05006	3.9
122.00079	0.8
123.00901	3.5
124.98804	1.3
136.98798	1.3
137.99577	18.6
141.99071	2.2
151.00320	1.2
152.98338	0.6
165.01906	1.8
165.99069	63.3
166.99406	1.7
169.06483	0.6
178.99870	4.5
183.86096	0.5
211.13339	4.0
212.13852	0.6
213.05504	2.3
214.06310	1.4
238.56844	0.5
242.05775	3.3
246.05272	1.7
269.04550	0.8
270.05310	73.5
271.05621	4.5
285.07663	100.0
286.07959	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	285.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49781	0.3
53.00291	0.5
55.52549	0.3
55.97169	0.3
57.79420	0.3
58.43423	0.4
59.01340	0.4
65.00318	4.2
66.43301	0.3
68.99792	1.7
69.69486	0.3
70.57928	1.1
71.17336	0.3
72.99320	1.9
78.95912	0.3
82.00596	1.8
83.01430	0.4
84.99313	0.4
95.01406	0.5
95.28095	0.4
96.99309	1.3
108.99344	0.8
110.00094	71.2
111.00440	1.5
119.05008	0.5
122.00100	0.6
123.00905	4.0
124.98791	1.3
125.99541	0.4
135.00887	0.7
136.98792	1.8
137.02414	0.4
137.99583	21.8
141.99078	3.2
151.00395	0.9
152.01036	0.5
152.91631	0.4
152.98285	0.8
163.00349	1.0
164.98291	0.4
165.99069	65.8
166.99431	2.2
169.06613	0.7
173.05925	0.5
178.99879	4.6
193.01408	0.5
199.03934	0.4
203.54849	0.3
213.05588	2.4
214.06441	1.7
230.71533	0.3
242.05818	3.7
243.06378	0.4
246.05255	2.8
255.02933	0.4
269.04581	0.7
270.05316	77.9
271.05649	6.4
284.26749	0.6
285.07669	100.0
286.04810	0.6
286.08008	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	285.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58050	0.5
59.01372	3.4
61.98827	1.8
65.38402	0.4
69.96618	1.3
69.97041	0.7
78.95914	0.8
90.94698	0.5
96.87582	0.4
96.95964	0.5
107.54247	0.4
110.00097	0.5
121.02949	0.5
152.01088	0.5
152.91747	1.4
165.01955	0.7
165.99083	0.7
169.01465	0.5
181.10593	0.4
183.04466	1.6
194.92778	0.7
197.94423	0.4
198.02989	0.5
199.04037	0.5
203.02339	0.8
211.03984	1.7
227.03485	2.7
251.32880	0.5
255.02965	100.0
256.03268	6.4
270.05307	27.1
271.05652	1.5
284.26697	2.3
285.07651	29.0
285.20682	0.8
285.27060	0.9
286.07965	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0614
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
71.24435	0.4
71.24766	0.6
79.65482	0.4
81.03433	0.5
105.65941	0.4
108.02166	100.0
109.02982	16.2
114.39876	0.4
121.02959	0.7
122.03735	0.8
123.04528	0.9
133.02954	0.6
135.00835	1.0
151.04031	1.4
151.68544	0.4
152.01143	69.8
153.01935	34.0
153.94051	0.4
154.02251	1.3
163.04005	1.0
165.01956	0.9
197.83411	0.4
285.06128	78.5
286.06430	4.4
304.48679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0614
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
55.89387	0.4
62.05477	0.4
70.55572	1.1
81.03461	1.0
89.13013	0.3
91.13710	0.4
91.14231	0.3
97.87543	0.4
98.19901	0.4
108.02165	100.0
109.02982	15.1
123.04522	0.8
133.02977	0.7
135.00871	0.6
151.04005	1.4
152.01138	65.9
153.01927	29.1
154.02234	0.9
163.04033	1.2
165.01897	1.2
251.82642	0.4
285.06134	71.7
286.06439	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	285.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
65.00306	1.9
72.02101	0.7
89.00304	0.8
93.03461	1.8
97.02934	1.3
97.31786	0.8
99.32362	0.8
119.05018	13.8
143.72913	0.9
155.85484	0.8
157.02945	0.8
165.01939	6.7
173.02332	1.0
178.77908	0.9
181.02884	2.0
183.04535	4.8
185.02470	1.1
187.03976	0.8
199.03969	1.9
209.02431	3.6
211.04001	3.7
223.72806	0.8
227.03473	47.4
228.03767	3.5
255.02963	98.4
256.03329	5.1
270.05304	100.0
271.05585	6.7
284.26669	1.0
285.07654	82.3
286.07986	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	285.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05923	0.3
59.01361	0.4
63.02387	0.9
65.00321	2.4
68.59484	0.2
69.47237	1.0
69.47673	0.9
81.03440	0.3
83.01385	1.6
95.01395	0.3
105.03461	0.7
107.01385	5.0
108.02225	0.3
119.05018	1.2
121.02950	0.8
125.02425	0.6
132.02194	0.3
133.02948	22.6
134.03322	0.6
135.04501	0.6
143.04950	0.3
145.02960	0.4
147.04530	0.8
149.02425	2.6
149.99489	0.6
150.99194	0.5
151.00359	8.0
152.01161	0.3
155.05019	0.4
167.05048	0.4
169.79449	0.3
171.04506	1.0
173.02443	0.3
175.02562	0.3
175.04001	5.0
177.01982	0.3
181.00809	0.3
182.03537	0.3
185.06036	0.8
189.05559	0.8
195.69952	0.3
197.06081	0.4
198.03230	0.9
199.03989	5.1
200.04379	0.3
201.01935	1.1
211.03999	0.4
211.13290	0.5
213.05527	1.1
215.03468	0.9
217.05019	2.5
226.02707	0.4
229.05054	0.7
239.03384	0.5
241.05008	1.5
243.02943	1.4
255.02879	0.8
257.04572	2.3
267.03049	0.4
270.05237	0.8
284.26868	0.4
285.04022	100.0
286.04388	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	285.0402
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.20118	0.3
59.01375	1.8
61.98823	0.4
63.02382	1.2
65.00317	3.9
72.84332	0.3
78.10680	0.4
83.01390	3.9
89.00359	0.4
91.01884	0.4
107.01388	1.7
108.02167	0.8
109.02947	1.2
121.02940	0.8
123.00867	0.5
123.04530	0.7
124.01643	0.3
133.02953	6.9
135.00893	0.6
143.04971	0.5
145.06573	0.4
147.04543	0.3
148.01807	0.4
149.02406	3.4
151.00340	2.3
151.04001	0.7
152.01128	0.7
157.03021	0.6
167.05049	0.5
169.06683	0.4
171.04495	1.3
172.05136	0.5
173.06081	1.7
174.03178	0.6
175.03995	9.0
176.01314	0.5
176.04251	0.4
178.43822	0.3
185.06052	1.4
187.04027	0.5
189.05521	0.7
195.04491	0.7
196.05225	0.7
197.06033	1.5
198.03221	0.9
199.04010	4.8
200.04549	0.4
201.01917	1.5
211.03992	1.0
211.13362	3.3
212.04720	0.6
213.05478	1.7
215.03487	0.9
217.05034	15.3
218.05360	0.7
223.03947	0.7
227.03572	0.6
229.05023	2.9
239.03462	0.7
240.04198	1.8
241.05035	1.8
242.02214	0.8
243.02890	0.7
255.06592	1.4
256.03632	0.4
257.04547	4.5
258.05017	0.5
267.02930	0.7
270.05331	0.7
283.02390	0.4
284.26669	0.5
285.04025	100.0
286.04367	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	285.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56025	0.2
54.14661	0.2
59.01368	0.8
63.02398	0.8
65.00004	0.4
65.00325	5.9
65.03967	0.3
73.86216	0.2
83.01384	7.4
89.00345	0.4
89.03987	0.3
95.01398	0.4
105.48914	0.3
107.01377	1.3
108.02176	0.7
109.02953	1.7
121.02955	0.4
123.04549	0.7
131.05031	0.8
133.02953	12.6
134.03264	0.5
135.00945	0.3
143.05022	0.9
145.02979	0.6
147.00879	0.6
147.04529	0.5
148.01640	0.6
149.02429	3.5
151.00377	2.2
151.03981	1.1
155.05066	0.5
157.02962	0.5
159.04518	0.2
161.06064	0.3
167.05005	0.2
169.06567	0.8
170.03764	0.4
171.04521	1.8
172.05266	0.2
173.02373	0.7
173.06029	2.1
174.03242	0.5
175.03989	18.3
176.04356	0.7
185.06013	1.3
187.03880	0.4
189.05554	1.0
195.04539	0.5
196.05237	0.5
197.06050	1.8
198.03220	1.1
199.03990	9.0
200.04356	0.5
201.01932	3.1
211.03995	0.6
211.13409	1.1
212.04800	0.2
213.05544	2.2
214.02679	0.3
215.03502	0.8
217.05048	31.3
218.05400	2.0
223.04024	0.5
227.03400	0.3
229.05000	0.6
240.04305	0.7
241.05028	3.1
242.02135	0.5
242.05151	0.3
243.02921	1.5
255.02945	0.4
257.04611	1.5
284.26813	0.5
285.04028	100.0
286.04376	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0975
Annotation	Glypallichalcone
Peak:m/z	Relative Intensity
59.01377	19.7
61.98791	0.6
65.14613	0.5
69.48253	4.1
71.01374	1.3
71.78570	0.5
79.23746	0.6
85.02963	0.7
90.76814	0.5
101.02443	1.9
131.03497	0.8
163.06078	3.0
181.06616	1.6
183.01170	3.8
183.04509	5.5
185.06097	0.9
197.06108	1.5
200.94406	0.7
201.02568	7.4
202.02687	0.7
209.06041	6.3
211.03989	2.6
217.24211	0.6
223.08180	2.2
225.05556	54.1
226.05916	2.4
235.03918	2.7
253.05042	94.2
254.05415	5.6
268.07382	100.0
269.07745	7.7
283.09744	91.6
283.13525	6.8
283.26404	66.0
284.10074	7.9
284.26715	1.5
301.59671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1701
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
51.95815	0.4
59.01373	3.7
69.33754	3.2
101.02442	0.4
101.56762	0.4
107.05023	100.0
108.05351	2.8
163.11279	99.1
164.11650	4.2
172.87068	0.4
201.02553	1.0
223.08214	0.4
268.03851	0.5
283.17010	96.0
283.26355	19.1
284.17337	8.0
284.26688	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	284.1292
Annotation	Cherylline
Peak:m/z	Relative Intensity
59.01365	2.1
63.60004	0.4
70.47725	0.3
70.79630	0.9
71.01393	0.4
73.82632	0.4
74.02490	0.5
93.03497	0.5
93.37334	0.4
98.02494	0.4
108.02167	14.4
109.02941	5.2
116.05057	21.5
117.05330	0.8
118.06603	1.1
121.02940	1.6
122.03757	0.9
123.04508	2.8
129.44656	0.4
134.02475	0.6
135.04491	1.2
137.02403	0.4
148.07661	0.6
152.01138	8.0
152.91740	1.1
153.01938	7.2
154.01447	1.0
160.04031	6.4
161.04768	0.9
162.05519	0.6
175.06375	1.2
182.39209	0.5
200.07106	1.0
204.10260	1.5
209.06070	0.4
212.07187	0.7
224.07185	0.6
226.08720	2.7
229.68208	0.5
232.64897	0.4
234.09155	0.8
236.07176	2.9
237.07898	2.5
240.06770	0.6
240.10294	1.4
248.12939	0.8
250.08688	3.4
252.10272	15.9
253.07484	1.0
253.10568	1.2
254.08119	1.5
254.11775	1.6
268.09763	24.3
269.10388	2.6
283.12048	0.6
284.12891	100.0
284.26724	6.5
285.06146	10.8
285.13165	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0611
Annotation	Biochanin A
Peak:m/z	Relative Intensity
50.95917	0.6
53.18364	0.4
57.00681	0.5
59.01377	3.9
69.41335	1.1
69.41741	2.7
101.61715	0.5
107.01411	0.6
110.70599	0.5
117.03452	1.1
120.38021	0.5
132.01242	0.5
132.02194	2.1
135.00923	0.7
143.23804	0.6
146.17798	0.5
151.00334	1.2
163.06105	0.6
183.04512	0.7
184.05286	0.7
195.04486	1.5
196.05281	10.9
197.05681	0.6
211.03932	4.0
212.04791	1.2
217.00790	0.6
223.04016	2.2
223.08087	0.7
224.04761	2.1
226.02684	0.7
239.03497	7.4
240.04263	10.1
241.04608	0.9
251.03575	1.0
255.02968	4.4
267.02957	12.8
268.03745	78.0
269.04141	4.7
272.03152	0.5
283.06097	100.0
283.26410	16.4
284.03204	0.6
284.06415	8.1
284.09241	1.0
284.26654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	28.9
58.70779	1.1
59.01105	1.6
59.01379	17.0
62.38833	1.2
67.02807	1.2
70.19049	3.9
71.01378	7.3
71.17365	1.4
72.99312	1.9
75.00867	36.5
78.95457	1.4
79.91151	1.4
83.01383	1.5
85.02934	4.5
89.02442	6.6
91.05531	73.3
92.05824	1.6
96.96003	2.3
101.02435	4.2
119.03458	2.5
129.01939	40.9
135.04520	77.3
139.99303	1.5
146.64043	1.5
147.02979	29.1
165.04031	100.0
166.04344	3.0
283.05655	3.4
283.08618	9.4
283.26395	34.9
284.26794	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23181	0.3
59.01364	1.4
69.32278	1.9
69.32685	1.0
75.05702	0.3
79.01901	0.4
81.85499	0.4
91.01898	2.4
93.03465	0.5
108.02153	1.2
117.03412	0.6
121.02971	0.5
132.02142	0.7
135.00868	4.5
148.01653	5.3
153.01915	0.5
156.05777	0.7
160.01630	0.6
178.70743	0.3
183.04495	1.4
184.05287	5.8
188.68823	0.4
195.04518	3.7
196.05313	2.1
197.05634	0.4
198.03345	0.4
199.03984	0.5
211.03986	17.1
212.04626	2.2
223.03999	1.9
224.04755	2.6
239.03490	10.5
239.07097	0.5
240.04233	7.4
241.04745	0.5
244.71132	0.4
251.03487	0.8
255.02980	1.9
257.52295	0.4
260.44193	0.4
265.05133	0.4
267.03006	5.1
268.03741	90.9
269.04099	6.5
283.06097	100.0
283.26361	6.0
284.06421	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	282.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03493	0.2
53.95218	0.2
56.81609	0.2
59.01383	1.0
59.01626	0.2
61.98832	0.4
62.80178	0.2
66.00963	0.6
69.24158	0.2
70.00811	0.9
71.01369	0.5
74.02463	0.5
80.46499	0.2
82.04109	0.9
89.02496	0.3
101.02432	0.3
107.03641	4.0
108.02036	8.8
122.03668	0.3
123.04530	0.4
124.89107	0.3
126.03101	3.4
133.01556	30.4
134.01875	0.6
135.04527	0.7
150.04204	100.0
151.02623	0.5
151.04749	1.6
152.07225	0.3
172.07663	0.2
190.08751	0.4
202.08714	0.3
218.21158	0.2
246.07739	0.2
270.54843	0.2
282.08414	33.4
283.08731	1.8
283.26358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.061
Annotation	Biochanin A
Peak:m/z	Relative Intensity
57.92496	0.7
59.01372	3.0
70.00647	2.4
71.01396	1.3
75.80058	0.6
91.01917	2.1
99.67751	0.6
101.02486	1.6
108.02195	0.6
120.09476	0.6
135.00868	5.5
141.27989	0.6
148.01668	5.2
149.01979	0.7
153.01924	0.7
156.05800	0.7
156.22435	0.6
160.01584	1.0
161.04529	0.7
163.06113	0.9
174.37025	0.6
183.04520	1.9
184.05281	5.9
195.04529	2.7
196.05235	1.4
206.56987	0.6
211.03995	18.7
212.04654	3.3
223.04105	1.5
224.04819	3.2
239.03517	10.3
240.04250	7.4
251.03539	0.8
255.03044	2.2
267.02905	4.8
268.03748	92.1
269.04028	5.4
283.06100	100.0
283.26367	9.3
284.06412	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	281.1141
Annotation	Thr-Tyr
Peak:m/z	Relative Intensity
59.01373	11.4
61.98531	0.7
61.98824	8.5
67.03001	0.6
69.86929	0.9
69.87350	1.8
71.01375	2.1
74.02462	0.7
81.97915	0.5
82.02976	1.9
84.04564	3.8
85.02944	1.1
86.02496	0.6
95.01395	0.5
95.05025	0.9
95.49737	0.5
96.96006	1.3
98.02476	0.8
98.95429	0.5
99.05650	0.9
101.02432	1.4
101.07211	2.3
107.02494	0.5
107.05018	1.0
108.02142	0.6
109.04060	2.8
113.02435	1.0
119.04917	0.6
122.03750	4.1
123.04519	27.5
124.04832	1.0
125.03535	1.3
127.05127	36.4
128.02589	0.8
128.03523	8.3
134.03711	0.6
135.04543	6.1
145.06186	14.2
149.06042	1.2
150.05598	0.5
152.07153	16.2
153.07509	1.0
154.02710	0.7
161.04643	0.8
206.08244	1.5
219.11328	2.1
220.09799	4.2
228.07053	0.5
235.10873	7.7
236.09166	1.2
237.09843	0.8
237.12425	2.0
263.10345	6.9
266.48828	0.5
281.11398	100.0
281.24805	2.4
282.06360	0.6
282.11716	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	281.1393
Annotation	Merrillianone
Peak:m/z	Relative Intensity
57.77974	0.4
59.01380	3.3
69.40729	3.1
73.02946	0.5
85.02950	1.6
87.00874	69.2
88.01202	0.7
93.03448	7.1
95.68967	0.4
96.96025	0.6
117.03451	0.4
133.06618	0.5
134.47513	0.4
137.02437	9.6
137.09715	8.7
140.14247	0.4
157.10294	0.8
159.08125	0.7
159.11784	1.0
165.09180	3.0
166.67574	0.4
173.09717	0.7
175.11273	63.4
176.11600	4.0
185.09752	0.7
201.12839	27.1
202.13162	1.5
217.12347	1.8
219.13887	0.9
223.73039	0.4
231.67033	0.5
245.11800	21.9
246.12073	0.9
263.12955	0.6
266.97552	0.4
281.13928	100.0
281.24600	1.2
282.14304	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	282.062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16359	0.9
53.83150	0.9
59.01374	16.4
61.98532	1.5
61.98828	22.3
68.02544	1.0
68.29241	0.9
71.01373	11.8
75.61427	0.9
82.03004	1.1
85.02956	1.3
88.04035	55.8
89.02446	1.3
89.61631	0.9
93.03458	2.4
96.95999	1.3
101.02422	2.6
103.92029	1.0
108.02045	1.3
109.02947	2.2
111.00837	1.0
113.02421	2.4
114.01942	6.8
114.05591	1.2
115.00369	20.8
116.03636	1.1
117.01839	1.1
121.02940	4.0
122.03735	2.0
123.04514	25.1
124.04810	2.9
124.89085	1.8
127.05143	2.2
128.05437	2.4
132.03017	100.0
133.01553	3.9
133.03328	1.2
135.04472	1.3
136.89226	1.0
139.03996	7.5
147.99684	0.9
149.02422	22.7
150.02989	1.2
150.04181	13.1
152.07083	1.3
153.07538	1.1
161.04529	1.2
162.05663	1.4
163.06114	1.7
164.07118	1.4
166.05080	11.9
167.02080	2.5
167.03464	8.7
201.02492	1.0
220.06146	1.1
221.10030	1.1
223.08162	1.5
230.24791	1.0
238.07240	4.7
264.05118	3.7
282.06125	61.1
282.11264	12.7
282.25192	2.3
283.06714	9.1
283.26401	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	281.0453
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
52.39185	0.2
52.91874	0.2
59.01377	2.6
95.92885	0.2
96.96055	0.2
98.20658	0.4
101.02460	0.2
135.00861	0.4
142.04283	0.2
166.04205	0.4
177.05594	0.2
182.03683	0.8
210.03156	1.1
221.06970	0.2
222.03288	0.2
237.01874	0.8
238.02634	0.8
265.01340	0.8
266.02170	100.0
267.02512	6.2
280.23630	0.4
281.04529	38.4
281.24823	1.2
282.04932	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	281.0876
Annotation	(3R)-3-(beta-D-glucopyranosyloxy)-4-hydroxybutanoic acid
Peak:m/z	Relative Intensity
57.66159	3.2
59.01375	100.0
69.38597	26.4
71.01383	27.9
72.99317	3.5
73.02943	41.1
83.01395	7.3
89.02453	9.7
101.02440	37.7
113.02444	12.4
131.03479	5.3
141.87755	3.2
153.05896	3.2
161.02466	5.1
161.04530	8.5
281.04370	15.9
281.13998	3.8
281.24771	10.6
292.75082	3.0
299.12692	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	281.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97599	4.1
59.01376	100.0
60.01676	3.0
69.03452	5.8
69.74249	17.6
71.01374	34.1
73.02943	49.5
75.00872	10.5
83.01371	10.8
85.02938	12.0
87.00875	39.7
89.02441	9.6
95.05030	3.4
96.95998	18.5
101.02441	38.4
113.02440	9.6
116.55037	3.8
119.05001	14.3
135.01984	5.1
135.02989	39.7
137.09700	11.4
138.05583	16.7
143.77025	3.6
152.00832	3.0
159.22173	3.6
161.04564	8.7
163.03989	16.3
165.09171	6.7
175.11261	14.0
183.06613	5.2
189.73387	3.0
192.06636	14.8
192.62439	3.0
201.12941	4.3
281.04391	10.7
281.06995	8.2
281.09540	4.6
281.10461	4.0
281.13913	53.9
281.24799	21.1
282.09738	10.5
282.17221	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	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
54.78102	0.4
70.86677	0.8
71.36028	0.4
74.90161	0.3
108.79050	0.3
149.93321	0.4
249.27542	0.3
279.23257	100.0
280.23593	7.1
298.83273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04781	0.5
51.74426	0.6
54.56535	0.5
55.01886	0.5
57.39764	0.5
59.01376	5.8
60.99301	12.2
62.37072	0.7
71.01385	6.4
71.54868	0.5
71.55244	0.9
73.02937	0.8
75.00875	3.2
78.67841	0.5
83.01373	1.1
85.02950	5.5
87.00873	1.7
88.04079	0.6
88.98798	100.0
89.02449	2.9
89.99119	0.8
96.96011	0.7
99.00867	1.0
101.02431	2.1
102.05618	1.3
103.92032	1.7
112.98814	0.7
113.02430	6.1
115.00345	0.5
122.89402	1.4
124.89138	3.4
128.03542	0.7
129.01932	1.4
131.03477	1.3
132.02971	0.7
133.01428	0.7
139.49765	0.5
142.99844	0.8
145.01422	0.7
146.04590	1.0
147.04944	0.7
149.04529	4.9
163.21948	0.7
205.07130	0.6
222.96428	0.6
237.06166	2.0
243.06154	0.9
281.08759	8.5
281.11514	0.6
281.24902	1.2
282.06021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0985
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
59.01374	4.5
68.90179	0.7
68.99833	1.0
71.01380	18.1
71.28394	0.9
71.28719	0.8
74.02451	0.9
82.02995	2.0
84.04551	2.6
85.02965	1.5
86.02519	0.9
88.04034	1.5
93.03463	1.4
95.05023	1.0
95.06149	1.0
96.96013	1.8
101.02425	1.3
101.07191	0.9
108.02173	1.8
109.02943	3.2
109.04064	1.5
110.90797	0.8
113.03598	1.1
115.00378	7.3
115.21101	0.8
119.05024	56.3
120.05370	1.1
121.02946	4.5
122.06060	1.0
123.04511	16.6
125.03563	1.8
126.04363	1.6
127.05139	8.7
128.03537	44.8
129.03940	1.0
131.03807	1.3
131.07121	1.5
132.03033	3.4
133.03380	1.5
134.03712	0.9
135.04504	2.1
137.02466	1.0
145.06201	7.6
147.03336	0.7
147.04472	1.7
148.04088	2.9
148.07666	1.0
149.04828	4.9
149.05844	0.8
150.05602	70.1
151.05975	2.3
151.15538	0.8
161.02486	0.7
163.04002	89.9
164.04373	3.9
164.07178	1.4
192.06624	1.4
200.07117	1.7
204.06667	1.8
217.09828	6.4
218.08328	1.7
233.09274	1.2
235.10898	4.0
235.13124	1.0
261.08774	7.8
264.06390	0.8
279.09851	100.0
279.23257	15.7
280.10297	4.9
280.23499	1.0
299.12759	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
70.55259	0.3
71.18168	0.8
113.42576	0.4
233.22781	0.7
277.21695	100.0
278.22037	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99975	0.8
71.00317	1.4
71.01004	1.4
71.01382	20.2
72.99294	1.4
76.49190	0.7
80.21705	0.6
88.04047	5.3
89.02456	0.7
90.23499	0.6
91.69360	0.6
93.03432	0.8
99.62106	0.7
103.06930	0.6
113.82097	0.6
114.99560	1.2
115.00368	23.2
119.05021	66.8
120.05371	2.4
132.03038	5.7
133.01422	42.6
134.01814	0.6
163.03999	100.0
164.04355	4.9
279.23373	0.9
280.08209	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	279.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90691	1.2
71.01379	14.7
72.99306	2.0
73.25153	0.6
87.00893	1.0
89.02430	1.6
93.03462	0.9
115.00367	37.6
119.05021	33.8
120.05369	1.0
133.01421	100.0
134.01765	1.8
144.17059	0.6
149.86282	0.6
152.27167	0.5
163.04001	31.4
164.04384	0.8
302.59152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79293	1.0
64.92832	1.4
69.33213	7.5
71.01381	26.1
72.99299	1.8
88.04044	16.5
89.02438	1.5
97.99001	1.2
98.19942	2.3
115.00360	35.4
119.05017	71.3
120.05331	3.1
125.03338	1.1
132.03033	14.6
133.01424	72.0
134.01709	1.6
163.03996	100.0
164.04311	4.4
196.77953	1.1
279.14490	1.8
280.08276	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	275.1499
Annotation	oscr#1
Peak:m/z	Relative Intensity
57.03444	5.2
58.45179	0.5
59.01382	1.6
69.03440	0.6
69.79709	2.1
71.01368	0.7
83.01382	1.2
89.02425	0.5
91.04015	1.2
111.08152	4.8
137.09695	1.3
139.11279	86.4
140.11612	3.7
151.05141	0.6
157.12343	1.2
157.20885	0.4
183.10240	47.2
184.10614	1.7
190.43195	0.5
201.11299	100.0
202.11617	3.8
237.49948	0.4
247.14479	0.5
275.04068	1.9
275.14972	50.8
276.15289	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	275.2014
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
59.01378	4.3
64.43564	1.7
68.99557	2.8
69.72432	1.6
69.74038	1.5
71.01393	2.2
75.97837	1.8
82.41333	1.4
83.01398	2.7
98.19872	4.3
106.12263	1.6
112.98584	5.3
116.92869	2.4
134.41614	1.6
192.95805	3.5
231.21156	100.0
232.21455	4.5
275.04117	2.2
275.20126	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	273.0382
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
55.18926	1.6
57.03445	3.0
71.01377	5.1
78.95901	74.4
80.91673	5.9
83.01392	2.1
85.02926	2.8
87.00866	1.7
88.94048	1.5
88.98796	2.5
95.36730	1.7
96.96944	5.4
97.16676	1.7
99.00885	4.7
110.98528	61.6
111.00871	2.7
112.98811	8.3
129.01917	2.3
137.36450	1.6
140.39731	1.4
145.01460	2.6
168.99881	2.8
173.00897	1.8
205.03497	1.6
209.96051	1.5
241.01190	23.7
273.03790	100.0
274.04126	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	273.1343
Annotation	oscr#7
Peak:m/z	Relative Intensity
51.87600	0.5
56.63055	0.5
57.03434	1.8
59.01376	2.4
67.01876	0.7
69.03439	0.7
71.01363	2.4
71.05008	1.2
71.58924	0.5
73.02928	1.2
75.51525	0.4
78.95923	0.5
79.44602	0.4
79.95763	0.5
83.01376	1.2
83.05006	0.7
85.02927	1.4
85.06573	0.8
97.02959	0.5
97.06579	0.5
101.01784	0.4
101.02441	1.9
108.02164	1.0
110.98547	0.6
112.01610	0.6
113.02518	0.7
123.04477	0.5
123.08121	0.7
125.09715	3.6
127.11275	1.9
135.00862	0.9
151.11275	0.5
155.10745	0.9
155.14342	0.7
163.11278	0.6
165.12776	1.0
167.14394	1.7
169.12297	1.3
171.10265	13.0
175.11246	0.9
183.10255	0.6
183.13879	1.1
193.12344	3.8
199.13399	1.5
201.11284	4.8
209.11819	4.6
211.13379	25.8
212.13695	1.6
213.11360	2.5
219.10258	6.8
227.12816	3.8
229.14417	12.9
230.14781	1.0
237.08995	0.9
237.11295	12.0
238.11639	1.0
241.10840	0.6
255.12350	32.6
256.12677	1.3
273.13416	100.0
274.13718	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	271.0974
Annotation	Uvangoletin
Peak:m/z	Relative Intensity
56.11717	0.3
59.01406	0.4
61.95711	0.3
65.00321	3.4
68.03082	0.3
69.58556	0.3
69.62671	2.2
82.07731	0.3
89.00339	1.0
91.01898	1.1
91.07645	0.4
95.01386	0.8
96.02145	0.7
97.02940	3.2
107.27003	0.3
108.02129	0.8
111.00880	0.5
118.79500	0.4
121.02966	1.0
123.00881	2.1
124.01655	36.3
125.01942	0.3
125.02415	0.4
137.02426	1.5
139.00406	0.4
139.04005	10.3
139.33540	0.4
149.99565	1.2
151.00345	0.5
152.01143	85.8
153.01471	1.8
165.01936	7.5
176.98865	0.5
195.08095	0.5
239.07190	0.7
256.07382	9.4
257.07742	0.6
271.09726	100.0
271.22809	1.0
272.10016	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	271.112
Annotation	7,12-Dimethylbenz[a]anthracene 5,6-oxide
Peak:m/z	Relative Intensity
50.91491	0.8
53.81144	0.9
59.01363	3.4
71.01379	18.6
71.57995	1.4
75.50045	0.9
85.04092	1.1
88.04037	58.6
94.06603	1.3
95.02484	9.6
96.03300	5.4
96.08170	6.6
102.00198	2.7
108.02164	1.7
109.02950	1.8
109.04057	1.3
111.05620	4.0
122.04840	3.9
124.07662	3.7
125.02409	1.2
141.83862	1.1
150.07950	1.3
153.10324	21.5
165.10320	100.0
166.10617	3.4
174.01685	1.2
176.98779	1.2
193.13469	1.4
197.11880	1.2
199.09077	8.6
221.11774	1.2
225.12431	42.9
226.12659	1.2
227.03418	1.1
229.14310	1.1
237.12413	57.0
238.12726	2.5
243.06519	1.2
256.07495	1.2
271.02444	3.3
271.05701	2.2
271.09070	1.0
271.11273	11.4
271.15674	2.2
271.19092	2.7
271.22632	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
54.89439	0.3
55.01000	0.3
59.01366	0.6
61.98826	0.7
64.80307	0.3
65.48753	0.3
70.78798	0.3
70.79104	0.3
82.09872	0.3
98.20610	0.3
106.61037	0.3
108.02163	0.9
109.02937	0.4
119.05009	0.3
120.58249	0.3
125.02428	0.8
128.27142	0.3
130.89014	0.3
209.33832	0.3
225.22212	4.5
226.22511	0.4
243.06529	0.5
253.21683	1.6
256.03693	0.4
269.21243	0.9
271.06158	1.7
271.22760	100.0
272.23083	5.9
280.67023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0974
Annotation	7,4'-Dihydroxy-3'-methoxyflavan
Peak:m/z	Relative Intensity
53.18079	0.4
56.59443	0.4
60.04348	0.3
73.46220	0.4
80.02676	1.6
82.39082	0.4
87.82542	0.3
89.30833	0.3
108.02171	43.5
109.02465	0.6
116.30099	0.4
119.04983	0.4
121.02958	3.8
123.04525	100.0
124.04855	2.4
133.02945	1.1
136.01688	1.4
137.02449	1.7
149.02460	0.9
151.03969	0.7
151.34760	0.4
152.04448	0.4
162.03232	1.2
165.01924	13.8
165.03276	0.8
166.02209	0.4
179.03479	10.5
180.04257	3.5
193.06665	1.0
210.06877	0.5
212.03201	1.0
221.06052	1.3
227.03387	0.5
253.08641	1.0
256.03778	1.7
271.09738	68.5
272.10135	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
61.98837	0.5
67.16883	0.4
69.37744	2.6
74.27771	0.4
80.02695	1.3
89.02432	0.5
89.39187	0.6
95.05042	0.5
108.02164	48.3
109.03048	0.7
112.98637	0.5
119.05013	0.8
121.02933	4.2
122.03750	0.8
123.04517	100.0
124.04880	2.1
125.02446	1.4
133.02950	1.0
136.01688	1.2
137.02417	2.4
149.02425	1.8
150.03204	1.4
151.04097	1.1
162.03203	1.1
165.01918	14.4
168.50540	0.5
174.01640	0.9
176.98634	0.5
179.03493	11.1
180.04190	2.4
183.13942	0.6
193.06535	1.7
212.03189	1.2
213.14961	3.6
221.06017	1.1
238.55722	0.5
241.01520	0.5
241.04214	0.5
252.84399	0.4
253.08730	1.4
256.06458	0.6
271.09708	73.7
271.22678	1.7
272.10077	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	271.0822
Annotation	4-Hydroxy-3,5-dimethoxy benzoic acid 2-hydroxy-1-hydroxymethyl ethyl ester
Peak:m/z	Relative Intensity
53.80104	1.0
55.01877	1.9
56.48077	1.2
57.03444	2.0
59.01360	2.5
68.10127	1.3
68.99799	1.2
70.55492	3.1
71.01393	5.9
72.99271	2.2
73.02955	1.6
74.14104	1.2
80.02663	1.6
81.68540	1.2
83.01372	5.8
85.02931	3.8
87.00874	1.4
88.04050	1.6
95.05003	1.9
97.06601	6.4
99.00867	4.6
105.28444	1.2
107.63200	1.2
108.02192	1.6
109.06572	3.5
111.08172	1.3
112.98804	5.0
121.06670	1.7
123.08136	3.3
125.06093	4.6
125.09710	28.0
129.01866	1.7
135.08119	2.8
136.01472	1.3
137.06087	4.4
137.09682	2.0
139.07632	2.6
141.09142	1.6
142.99843	6.1
153.05568	5.9
153.09167	9.0
154.99815	2.9
163.07671	1.4
165.05557	1.9
167.07137	1.7
169.08745	3.4
171.10286	1.6
173.00887	5.3
174.01680	100.0
193.04991	2.1
197.04649	2.3
197.08192	4.2
227.09192	4.2
227.12776	2.3
241.07170	2.1
243.05365	1.3
271.05286	3.3
271.08209	67.9
271.15326	6.7
271.22864	1.5
272.08612	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	271.082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
69.22020	9.1
71.01376	2.0
83.01412	2.4
87.00860	1.1
97.06569	1.0
99.00883	2.9
109.06565	1.7
111.08108	1.0
112.98804	6.2
115.00378	1.1
121.06552	1.0
134.98387	0.8
137.06041	1.2
142.99837	3.9
149.06178	1.0
153.05553	3.0
164.13007	0.9
171.51889	1.0
173.00868	2.6
174.01682	100.0
175.02148	2.5
211.06194	1.2
235.35670	1.0
253.37907	0.9
271.05557	1.2
271.08176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10835	1.0
59.01365	2.7
61.98838	1.3
65.03952	2.7
68.99564	2.7
69.35442	7.9
80.02738	1.0
81.03458	1.7
91.05534	6.5
93.03465	2.7
108.02175	11.6
109.02951	34.0
111.00886	1.1
112.98550	3.0
121.02950	20.0
123.04514	8.5
125.02454	1.3
130.14919	1.2
133.02954	3.1
134.03740	13.7
134.97716	1.4
135.04526	46.2
136.04805	1.5
147.04517	9.2
148.05266	1.1
149.06071	24.6
149.07254	1.5
160.08517	0.9
174.41144	0.8
176.98808	4.3
186.06865	1.0
195.08136	0.9
197.06146	4.9
199.03964	1.8
201.09280	1.1
211.07741	1.3
212.08424	2.4
214.06364	2.5
221.12553	0.9
224.04810	1.2
225.09315	1.1
227.03470	1.1
227.10806	1.1
227.16460	2.5
229.08646	1.9
238.06367	1.5
239.07091	2.9
241.05194	9.7
253.08719	2.0
255.06567	1.6
256.03943	1.1
256.07230	7.4
271.09744	100.0
271.22736	5.0
272.10117	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	270.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16295	0.3
55.01873	2.8
59.01391	0.7
61.98818	1.5
70.55885	0.5
70.56223	0.9
71.01379	0.9
75.00874	0.8
78.03481	4.9
78.37657	0.4
80.71803	0.3
85.02955	0.9
89.02445	0.4
98.20586	0.3
101.02444	0.7
122.02477	100.0
123.02833	2.3
129.01923	0.5
147.02980	3.1
176.91479	0.4
185.25700	0.4
255.08897	0.4
270.06277	2.9
270.10739	0.6
271.06354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09421	0.6
63.02398	7.9
65.00320	16.6
69.74081	3.1
83.01381	9.5
85.98331	0.6
88.31461	0.6
89.28429	0.5
93.03454	13.2
98.20549	0.9
107.00637	0.7
107.01380	24.6
119.05017	68.2
120.05371	2.0
121.03044	0.6
125.02429	0.8
145.02934	1.4
151.00356	68.7
152.00797	1.3
161.06058	0.9
165.01917	3.6
169.01405	1.9
177.01912	9.4
185.06087	1.0
187.04005	1.4
193.80478	0.8
194.98073	0.6
271.06091	100.0
272.06482	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	271.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60910	0.3
56.88224	0.3
57.03449	2.2
59.01375	2.9
59.93507	0.3
63.02399	4.9
63.09570	0.3
65.00322	4.1
66.80075	0.3
71.17593	0.4
71.17928	0.4
81.03451	0.4
83.01387	4.9
91.05525	0.9
93.03448	0.7
95.01402	0.4
107.01396	5.6
108.02180	0.8
108.82238	0.3
108.94669	0.3
109.02955	0.9
111.00903	0.4
115.05536	0.9
119.05019	1.4
121.02930	0.8
124.01667	1.9
124.02412	0.3
125.02440	9.4
131.05057	0.5
135.00882	0.9
137.02425	0.8
141.07095	0.6
143.05052	0.6
147.08141	0.9
148.36464	0.3
151.00359	5.1
153.01918	1.1
157.06586	2.0
161.06055	5.2
163.00406	0.5
165.01900	1.8
165.07047	0.7
167.14404	0.4
169.01443	0.6
169.06606	0.3
171.08119	0.5
173.06032	1.0
175.07585	0.7
180.05772	0.6
181.06528	1.0
183.08087	0.6
185.06104	2.0
197.06065	8.6
199.07710	0.4
208.05302	0.5
209.06036	1.2
209.15472	0.9
211.13283	0.6
213.05664	0.4
215.07114	2.0
225.05624	3.4
227.07104	0.7
240.04283	0.5
241.04900	0.5
243.06543	0.9
253.05048	12.7
254.05428	0.8
271.06100	100.0
271.15466	3.7
271.22748	1.1
272.06415	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	269.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.3
59.01376	100.0
63.02371	1.1
69.45719	1.0
78.14509	1.0
83.05019	2.3
87.00863	1.1
93.03445	1.7
97.06551	1.1
98.19877	2.3
98.80301	1.0
99.04505	3.9
108.02136	1.6
109.06552	2.2
113.57042	0.9
117.03503	1.7
119.05024	14.8
121.06590	1.1
133.02933	2.5
139.97556	1.0
142.21794	0.9
165.12842	14.4
181.12308	1.3
182.03670	1.4
189.12791	3.1
191.10631	1.6
192.97192	0.9
197.06102	2.8
207.13885	22.4
208.14288	1.6
209.11806	23.7
224.04842	1.1
225.05605	1.8
225.14955	17.2
226.02725	14.1
226.15279	1.5
239.03491	1.4
241.05000	11.8
241.14514	1.6
251.12854	11.6
254.05933	1.9
255.02779	1.1
269.04553	52.8
269.08047	6.6
269.13925	87.6
269.21280	4.7
269.24838	1.9
270.04935	4.0
270.14249	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47672	0.4
59.01365	1.2
61.98832	0.5
63.02383	0.9
65.00322	13.3
66.66489	0.4
68.99806	1.6
69.95308	1.9
71.01351	0.6
78.06512	0.5
79.04330	0.4
87.00887	0.7
89.00322	3.9
90.97156	0.6
91.01905	3.5
93.03467	0.6
97.02946	9.6
107.01368	0.7
108.02183	1.7
110.00083	1.7
117.03451	1.8
121.02962	5.2
122.00097	0.7
123.97895	0.4
133.02974	0.9
139.04002	0.7
149.02376	0.6
149.99576	8.6
151.00311	0.8
159.04471	0.6
163.00308	1.1
165.01920	17.8
169.06544	1.0
171.04527	0.7
175.13321	0.4
177.01921	2.0
183.03073	0.8
183.04532	0.6
184.05289	7.7
185.05875	0.5
186.95618	1.2
196.05266	1.4
197.06059	3.5
198.06696	0.6
199.04071	0.8
201.05685	0.7
203.30353	0.4
211.04028	1.5
212.04712	2.4
213.05423	1.0
225.05504	2.4
226.06339	3.4
227.07120	12.1
239.03482	0.8
240.04268	0.8
241.05026	8.4
242.05374	0.7
253.05049	4.3
254.05814	13.0
255.06203	0.7
269.04568	29.6
269.08157	100.0
269.21185	3.9
269.24774	1.3
270.04868	2.6
270.08466	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15565	0.9
55.01873	10.1
56.92455	0.8
57.03440	5.4
58.00591	2.3
59.01376	51.9
59.09145	0.8
68.62891	1.0
68.99818	1.1
69.03445	1.2
69.86951	4.7
71.01379	100.0
72.99299	4.1
73.02942	39.8
73.41146	1.0
73.76490	0.8
75.00848	2.0
81.03480	1.3
83.01389	18.8
85.02946	47.5
86.00085	1.0
87.00862	4.8
89.02459	5.3
95.01381	7.7
96.95992	0.9
97.02958	3.7
98.20660	1.0
99.00871	16.8
101.02439	88.8
105.98359	0.9
107.05015	1.4
108.02172	14.0
111.00889	2.0
113.02443	41.9
113.31877	1.0
117.03437	2.3
125.02435	3.3
129.01921	2.3
130.59796	0.9
136.01668	20.6
140.01140	1.1
143.03450	2.7
151.03999	52.0
152.04324	1.1
159.02985	9.8
161.04541	32.2
162.04906	1.1
163.00285	1.4
170.04628	0.9
225.05620	1.8
226.06288	3.0
237.05527	2.1
254.05695	1.8
269.04495	15.4
269.08008	5.3
269.10593	10.2
269.21121	1.3
270.04831	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	269.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89999	0.5
59.01399	0.4
64.31127	0.5
65.00320	7.7
68.23377	0.5
68.99788	0.8
70.05485	0.5
70.25660	1.3
89.00335	1.8
89.03967	2.2
91.01890	2.2
94.00624	0.5
97.02943	3.9
98.20675	0.6
108.02168	3.9
109.06548	0.8
117.03429	1.9
118.96599	0.5
121.02948	6.3
123.04508	2.9
125.73692	0.5
132.02164	4.5
133.02953	8.4
145.02934	5.0
147.04521	5.1
149.99603	2.4
163.00348	0.6
165.01929	16.8
166.02287	0.7
167.04959	0.5
171.04478	1.6
176.01161	1.2
177.02005	0.5
183.04474	1.7
184.05226	1.0
185.06068	1.7
186.06830	1.9
191.03433	3.6
197.05994	1.2
198.06892	1.1
208.05414	0.8
209.06078	2.8
210.06868	0.5
211.03996	1.6
211.30638	0.5
213.05547	0.8
225.05600	4.8
226.06349	5.2
227.07085	0.6
236.04840	0.9
237.05530	1.9
238.06296	1.1
239.03506	1.7
241.05055	1.8
241.08687	1.1
251.07108	0.8
253.05054	15.0
254.05820	38.0
255.02940	2.5
255.06152	2.0
269.04709	7.4
269.08157	100.0
269.21213	1.6
270.05383	1.0
270.08493	6.2
280.73648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
58.61658	0.3
59.01367	0.9
62.62218	0.3
63.02378	0.4
65.00320	3.7
68.99813	1.6
69.00117	0.3
69.69782	0.3
70.51794	0.7
70.52136	0.4
72.99313	0.4
73.27928	0.3
77.37745	0.3
77.97837	0.3
80.52328	0.3
82.00598	0.4
85.02974	0.3
89.02396	0.3
94.00588	1.6
96.99319	0.5
103.32894	0.3
107.01353	0.5
108.02157	0.3
110.00097	4.2
117.03432	0.6
121.02946	0.9
122.00065	2.2
133.02924	1.1
135.00900	1.4
145.02939	0.4
149.02408	0.4
149.45847	0.3
149.99577	12.6
156.05779	0.6
165.01944	0.7
181.06575	0.6
183.04480	0.7
184.05153	1.4
185.05978	0.4
197.06033	1.7
198.06857	2.1
201.05460	0.3
209.06055	0.7
211.03976	0.5
211.07626	0.3
212.04630	0.6
213.05553	0.6
214.13824	0.3
224.04698	0.3
225.05527	3.2
226.02702	1.3
226.06311	6.7
227.07108	2.9
237.05487	0.6
241.05029	2.7
244.78465	0.3
253.05013	3.9
254.05820	61.3
255.06168	3.9
258.05151	0.4
269.04611	18.8
269.08167	100.0
269.21176	2.1
269.24799	1.2
270.05038	0.9
270.08487	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	269.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
69.39185	0.9
69.39594	3.6
83.01361	0.7
87.00890	0.9
96.95998	0.5
98.19901	1.2
108.02162	1.9
117.03437	1.8
119.05021	56.6
120.05370	2.0
121.02935	1.3
123.04517	0.7
132.02129	0.9
132.98210	0.5
133.02966	1.5
139.46190	0.5
151.00409	0.6
167.04919	0.6
169.06604	0.8
181.06482	0.7
182.03850	0.5
183.04482	1.7
185.06023	1.0
186.06812	1.3
186.95566	2.7
195.04436	1.4
196.05145	0.5
197.06021	1.6
201.05682	0.8
209.06009	3.5
210.06866	3.5
211.03987	31.4
212.04491	2.4
225.05583	5.6
226.06232	1.7
239.03476	49.4
240.03937	2.6
241.05135	2.5
246.33487	0.6
253.05058	3.5
254.05818	87.3
255.06169	5.2
265.76355	0.5
267.34470	0.5
269.04599	21.6
269.08167	100.0
269.21207	5.0
269.24826	2.2
270.05167	1.0
270.08484	5.3
278.83426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	Isomedicarpin
Peak:m/z	Relative Intensity
53.33815	0.3
59.01386	0.6
65.00323	5.2
65.00629	0.4
67.32730	0.3
68.99821	2.3
69.48701	1.9
72.82809	0.3
82.00606	0.6
83.13165	0.3
94.00592	2.9
96.99352	0.8
108.02183	0.4
108.69379	0.3
110.00100	6.3
117.03506	0.5
121.02977	1.0
122.00076	4.3
135.00876	2.1
137.99664	0.6
149.02475	0.6
149.99582	19.7
151.08031	0.3
156.05844	0.8
159.98349	0.3
163.00420	0.3
165.01956	1.2
181.06670	0.3
183.04550	0.5
184.05296	2.6
186.95615	1.6
197.06081	2.2
198.06830	3.0
209.06091	0.4
211.04041	0.7
212.04787	1.4
213.05583	1.0
225.05544	2.6
226.06351	7.2
227.07091	4.8
230.05791	0.7
239.03568	0.7
240.04453	0.4
241.05112	1.2
254.05832	70.4
255.06183	4.2
269.04736	6.1
269.08170	100.0
269.21201	2.1
270.04846	0.3
270.05420	0.5
270.08524	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0817
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
54.97511	0.2
70.03126	0.7
70.03534	0.5
74.48715	0.2
77.80180	0.2
89.90423	0.2
89.94256	0.3
124.97623	0.2
126.42908	0.2
133.21271	0.2
167.04980	0.6
169.02980	0.3
170.14920	0.2
183.04498	0.6
195.04472	2.1
211.03986	61.1
212.04301	2.5
239.03481	100.0
240.03816	5.0
254.05829	96.0
255.06122	5.4
269.08173	66.6
270.08575	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	269.0453
Annotation	Thunberginol A
Peak:m/z	Relative Intensity
59.01365	1.2
61.24410	0.4
63.62006	0.5
65.00309	0.6
67.01870	0.5
68.75001	0.4
69.42142	2.7
69.42548	0.8
74.69504	0.4
78.84251	0.4
98.20573	1.0
107.01372	1.4
117.03481	2.8
123.04465	0.5
124.90643	0.4
125.66399	0.4
129.07072	1.5
131.05174	0.6
133.02946	1.1
135.00911	0.5
141.07089	1.5
143.04977	1.5
145.06613	0.9
149.02408	0.9
151.00369	1.2
151.03870	0.5
152.06319	0.6
153.07112	1.5
155.05005	1.0
166.43098	0.4
167.04958	1.4
168.05785	0.9
169.06595	5.5
170.06906	0.4
171.04541	4.6
173.06047	0.9
180.05757	0.5
182.03682	1.0
183.04547	0.7
185.06036	1.7
195.04536	3.0
196.05278	11.2
197.06071	27.7
198.03217	2.1
198.06371	1.4
199.04001	8.0
201.05630	0.5
211.04022	0.9
212.04533	0.6
213.05553	5.4
223.03825	0.5
225.05505	1.7
226.02617	0.6
234.88846	0.4
239.03398	0.7
240.04256	1.8
241.05046	100.0
242.05388	4.8
251.03458	0.7
269.04535	91.7
269.17578	1.0
269.21216	2.4
270.04892	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	269.0454
Annotation	Genistein
Peak:m/z	Relative Intensity
54.08736	0.3
63.02399	2.3
65.00325	2.2
67.01859	0.3
69.05064	0.3
70.43027	0.8
89.00311	0.4
91.01884	1.2
107.01408	2.3
117.03443	3.4
121.02958	0.7
132.02193	0.5
133.02959	5.7
135.00839	0.4
135.04526	1.2
149.02412	1.3
151.00357	2.0
155.04979	0.5
157.02927	1.0
159.04527	2.4
161.02400	0.3
169.06531	0.7
171.04466	0.5
180.05785	1.3
181.06587	2.1
182.03702	0.5
183.04503	1.6
196.05275	0.8
197.06078	1.2
199.04015	0.4
201.05577	1.7
213.05576	0.9
224.04813	1.5
225.05589	2.1
227.03433	0.5
239.03532	0.4
241.05032	0.7
244.99879	0.3
254.05882	2.5
269.04529	100.0
270.04861	6.9
286.28323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44899	0.2
53.38227	0.2
57.33894	0.2
58.76758	0.2
65.00304	0.2
70.87901	0.2
70.88235	0.3
79.05537	0.2
79.78265	0.2
87.00884	0.4
103.05532	0.2
108.02180	0.4
109.02979	0.2
117.03467	0.5
121.02930	0.7
121.63116	0.2
123.04513	0.4
133.02945	0.5
145.02925	0.4
147.04488	0.4
159.04419	0.2
161.02391	0.2
167.05014	0.9
169.02972	0.3
183.04485	0.6
186.95586	1.1
195.04472	1.6
196.05165	0.2
197.06064	0.3
207.13913	1.5
209.06041	0.3
211.03987	62.5
212.04350	2.4
213.05513	0.2
216.95523	0.2
225.05661	1.1
225.09009	0.4
225.14972	0.2
226.06311	1.2
239.03479	96.2
240.03842	4.4
241.04945	0.6
241.08473	0.2
253.05075	1.5
254.05823	100.0
255.06158	5.1
255.08861	0.3
269.04749	3.8
269.08163	78.9
269.21164	1.3
270.05511	0.3
270.08530	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	269.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	2.4
65.00307	1.4
70.41713	1.5
73.25929	0.4
91.01890	1.1
98.32668	0.4
106.66012	0.4
107.01384	2.3
117.03423	0.5
123.04484	0.7
132.02132	0.8
133.02965	6.1
135.00877	0.8
135.04509	1.2
155.05023	0.5
157.02974	1.1
159.04532	2.0
169.06587	1.0
171.04591	0.5
172.39435	0.4
180.05862	1.2
181.06601	2.1
183.04468	1.6
196.05144	0.9
197.06006	0.4
201.05592	1.4
213.05582	0.6
223.03998	0.4
224.04686	1.9
225.05479	1.5
227.03510	0.5
240.03976	0.5
241.04994	0.5
269.04526	100.0
270.04886	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	269.0452
Annotation	Genistein
Peak:m/z	Relative Intensity
63.02396	2.2
65.00300	1.7
91.01874	0.8
105.69345	0.4
107.01393	2.1
116.80067	0.4
132.02159	0.5
133.02953	6.2
135.00870	0.9
135.04520	1.3
151.00395	0.3
155.05034	0.4
157.02983	1.3
159.04491	2.4
167.04980	0.4
169.06599	0.8
180.05827	1.5
181.06557	2.1
183.04465	1.5
193.79326	0.3
194.19449	0.4
195.04375	0.4
196.05301	0.5
197.06073	0.5
197.85503	0.3
199.04013	0.8
201.05550	2.0
213.05576	0.7
224.04774	1.5
225.03328	0.4
225.05518	1.6
227.03484	0.5
239.03691	0.4
269.04529	100.0
270.04895	5.9
283.01529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28921	0.3
63.02393	4.0
64.53833	0.2
65.00311	2.4
70.70741	0.5
83.01385	0.7
93.03418	0.5
105.03434	0.8
107.01386	3.3
117.03459	10.3
118.03770	0.3
121.02949	0.5
125.29245	0.2
133.02950	0.7
135.04512	0.9
148.01630	0.3
149.02444	2.5
151.00351	3.2
155.05003	0.3
157.06509	0.3
159.04529	2.8
161.02454	1.3
169.06612	0.6
171.04483	0.5
180.05853	0.4
181.06577	1.1
182.03769	0.3
183.04517	1.4
196.05264	0.6
197.06067	1.3
199.03937	0.3
201.05598	1.1
224.04704	0.7
225.05560	2.5
227.03448	0.9
241.05002	0.4
269.04520	100.0
270.04874	6.3
270.07880	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47839	0.1
55.96160	0.1
59.01370	0.3
60.17569	0.1
61.87391	0.1
63.02395	2.8
63.02694	0.3
65.00326	1.6
71.56650	0.2
83.01372	0.4
88.04029	0.7
89.00324	0.3
89.04380	0.2
91.01880	1.0
93.03460	0.2
96.96017	0.3
99.00847	0.2
107.01387	2.1
117.03460	1.7
121.02930	0.2
123.04529	0.4
131.05038	0.3
132.02133	0.6
132.03030	1.1
133.02924	5.0
135.00876	0.4
135.04480	1.2
149.02429	0.2
151.00394	0.9
155.05025	0.5
156.05800	0.3
157.02899	0.9
157.06517	0.2
159.04523	2.4
161.02403	0.5
168.05731	0.2
169.06551	0.7
171.04497	0.2
173.06119	0.3
176.01141	0.2
180.05786	1.2
181.06583	1.8
182.03717	0.3
183.04498	1.6
195.04428	0.4
196.05193	0.8
197.06055	0.8
199.03981	0.5
201.05580	1.8
213.05573	0.5
223.03931	0.3
224.04768	1.6
225.05560	1.5
227.03453	0.5
239.03561	0.2
240.04262	0.4
241.05037	0.9
268.03729	0.2
269.04523	100.0
269.21249	0.4
270.04861	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	268.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41499	0.6
56.28604	0.6
59.01376	6.1
59.67298	0.6
60.01702	1.9
61.98826	100.0
69.93909	3.0
71.01381	1.4
88.04053	1.9
89.02465	0.8
96.54035	0.6
130.08699	0.8
134.04732	0.7
135.03127	2.6
136.03487	2.1
136.10176	0.6
160.53854	0.6
182.06180	1.8
184.04041	1.8
197.04811	3.0
199.39926	0.6
210.05597	1.9
224.07143	2.7
225.07808	0.7
252.06767	1.6
253.07509	2.3
267.95020	0.9
268.07303	1.2
268.10031	4.2
269.13022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59949	0.1
56.85629	0.1
63.02087	0.2
63.02393	2.8
64.02718	0.1
65.00312	1.5
71.56572	0.1
75.02348	0.2
75.13708	0.1
83.01361	0.2
89.00332	0.3
91.01882	1.3
93.03465	0.2
105.73815	0.1
107.00708	0.2
107.01378	2.3
109.02966	0.2
117.03436	0.5
121.02934	0.2
123.04494	0.4
131.05077	0.2
132.02177	0.6
133.02946	6.0
134.03316	0.2
135.00896	0.8
135.04498	1.3
148.01642	0.1
151.00333	0.5
153.01959	0.2
154.04248	0.2
155.04987	0.7
156.05777	0.2
157.02913	1.0
157.06529	0.3
159.04500	2.5
161.02394	0.2
167.04941	0.2
169.06558	0.8
171.04486	0.4
172.60249	0.1
173.06062	0.5
176.01106	0.2
179.04987	0.2
180.05804	1.6
181.06580	2.0
182.03720	0.5
183.04485	2.0
195.04480	0.3
196.05182	0.9
197.06073	0.9
198.06265	0.2
199.03995	0.8
201.05540	1.7
202.05823	0.1
211.04021	0.3
213.05542	0.8
223.04048	0.3
224.04761	1.8
225.05519	1.8
225.11394	0.1
227.03531	0.6
239.03549	0.2
240.04196	0.6
241.05009	0.8
249.65453	0.1
268.03708	0.3
269.04517	100.0
269.21213	0.6
270.04858	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0453
Annotation	3,7,4'-Trihydroxyflavone
Peak:m/z	Relative Intensity
50.89425	0.2
59.01367	0.6
69.21840	0.7
69.22268	1.4
71.01368	0.6
85.02921	0.5
91.01888	2.3
93.03407	0.3
98.20682	0.4
101.02453	0.6
113.02403	0.5
121.02966	0.3
132.02078	0.2
133.02937	1.0
135.00888	2.3
143.05078	0.3
145.06433	0.2
147.00867	0.3
148.01646	0.5
149.02419	0.7
153.01991	0.3
157.06575	0.3
160.01614	0.4
161.02419	0.8
167.04971	0.8
168.05737	0.4
169.02896	0.2
169.06570	1.0
170.03716	0.3
171.04518	0.7
173.06073	0.3
175.03970	0.3
182.03757	0.7
183.04509	0.5
184.05252	0.4
185.06020	0.8
195.04489	2.1
196.05243	0.8
197.06076	2.7
198.03197	0.9
199.03984	1.0
201.05562	0.4
207.04489	0.3
208.05370	0.3
211.03992	2.7
212.04521	0.3
213.05553	14.7
214.05934	0.8
223.03992	1.3
224.04816	1.2
225.05547	1.8
226.02718	3.9
227.03372	0.3
239.03421	1.2
240.04175	1.4
241.05055	13.0
242.05461	0.6
250.23807	0.2
251.03528	0.4
252.04175	0.7
255.73276	0.2
257.20749	0.3
267.03018	0.9
268.03735	0.9
269.04529	100.0
270.04898	5.8
270.07559	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	267.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80196	0.8
55.01876	1.1
57.03448	1.6
58.00571	0.9
59.01378	100.0
60.01694	1.0
61.98830	13.0
68.30900	0.7
71.01382	22.5
71.23262	1.5
73.02940	6.0
75.36877	0.8
77.16279	0.7
83.01397	3.0
85.02959	8.7
87.00882	1.3
89.02448	6.7
95.01383	1.8
97.02982	0.9
99.00891	2.2
101.02442	20.8
105.05573	4.1
113.02430	7.2
119.03533	1.9
143.03490	1.5
159.03001	2.0
161.04553	12.4
173.52153	0.6
175.50037	0.7
207.08746	3.5
235.16600	0.7
267.10828	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	267.1963
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
53.17532	1.1
59.01376	37.1
70.76747	2.4
71.01385	2.0
71.20174	1.3
72.99340	1.2
73.02950	1.1
80.63074	1.1
83.01431	1.5
85.02924	2.1
89.02461	1.3
91.90405	1.4
97.06590	2.6
97.69016	1.2
98.12450	1.2
98.19977	1.7
98.43296	1.6
99.08139	2.5
101.02449	1.8
113.02431	1.9
113.09719	2.5
115.87827	1.2
121.02965	3.2
125.06105	2.9
136.61368	1.5
143.07147	29.9
161.04480	1.8
163.30336	1.4
183.11150	1.3
207.08551	1.4
249.18588	6.1
267.02853	2.2
267.19635	100.0
268.19958	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	267.0732
Annotation	formycin b
Peak:m/z	Relative Intensity
59.01376	14.0
61.98830	1.5
63.83755	0.2
65.28474	0.2
65.78001	0.2
65.84882	0.2
70.00171	0.9
71.01378	3.3
73.02949	0.7
75.00861	0.5
83.01398	0.5
85.02961	1.6
87.00859	1.1
88.04019	1.3
89.02437	1.0
89.04381	0.5
90.43764	0.2
95.01386	0.4
96.96030	0.6
99.00881	0.2
101.02425	2.9
105.01923	0.3
108.02030	10.2
113.02437	1.6
113.03593	0.4
115.00354	0.5
119.03500	0.3
126.03076	0.2
132.03055	1.1
133.01527	0.3
133.03369	0.6
134.04710	2.1
135.05156	1.7
151.02603	100.0
152.03131	1.2
153.45636	0.2
161.04556	1.9
167.89534	0.2
177.04185	3.4
177.05624	0.5
182.04517	0.2
182.22673	0.2
205.07025	0.4
205.10571	0.3
207.08717	0.4
249.06194	0.5
267.07291	35.9
268.07715	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	267.0871
Annotation	Botryolide C
Peak:m/z	Relative Intensity
57.44484	0.6
59.01376	10.0
61.98824	1.0
69.44045	4.0
71.01369	2.0
72.99315	0.6
73.02940	0.9
76.04546	0.5
85.02935	1.0
87.00867	2.5
89.02457	0.6
95.89589	0.5
96.96008	3.2
98.20622	1.0
101.02428	1.5
103.05557	0.6
104.05070	1.7
108.02163	1.5
113.75567	0.5
119.01382	1.2
119.05026	0.7
119.10863	0.6
120.01237	1.4
121.02936	1.0
134.03766	0.9
135.04555	0.9
136.01653	76.4
137.02010	2.0
145.02971	0.6
146.03735	2.1
147.04521	1.9
148.04131	1.2
148.05276	16.7
149.05647	0.6
151.03998	100.0
152.01115	0.7
152.04367	2.7
159.04494	0.9
160.05243	4.1
161.02432	1.8
161.04498	0.9
161.05968	1.0
162.03186	3.5
162.06854	0.6
163.04010	0.7
163.07613	0.5
164.03465	0.6
164.04774	1.4
175.07645	2.5
177.02019	0.6
177.05600	3.8
178.06335	1.3
179.07074	3.0
192.03053	1.4
193.05133	0.6
193.08670	1.7
194.02222	0.8
195.06599	1.1
219.06549	0.7
223.09714	0.9
236.02013	0.9
237.07626	0.6
239.03510	0.7
267.08698	72.1
268.09100	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	265.1442
Annotation	Rugosal A
Peak:m/z	Relative Intensity
51.14977	2.6
52.01746	2.7
52.81513	3.0
53.02183	2.8
55.30875	2.8
57.03423	2.9
59.01380	73.5
65.03954	9.8
69.03454	4.1
71.01369	9.3
71.58867	3.2
72.86919	3.1
81.03455	29.5
83.05028	27.2
85.02941	4.7
93.03472	16.9
95.05031	8.0
96.96014	4.2
109.02909	6.2
109.06572	5.8
110.03759	7.1
111.04519	57.2
111.93507	3.2
118.53916	3.3
121.02960	5.0
123.04530	4.8
137.09683	6.1
139.11295	9.4
147.45816	3.1
167.36162	3.0
171.10228	10.6
177.12794	11.3
178.73877	3.0
179.39345	2.7
193.15924	9.9
203.14479	3.9
219.13715	7.6
221.11807	31.1
237.12529	6.4
237.14940	93.1
238.15083	4.1
247.13387	23.5
265.14417	100.0
266.14758	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	265.2171
Annotation	Hydroprene
Peak:m/z	Relative Intensity
51.44315	0.3
59.01104	0.5
59.01372	5.2
70.80024	0.8
72.22533	0.4
73.80611	0.3
87.43584	0.3
94.85015	0.3
96.96006	11.3
98.20604	0.4
102.50688	0.4
115.56334	0.3
175.38528	0.4
234.78802	0.4
265.14862	11.3
265.21692	100.0
266.15039	0.3
266.22067	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	266.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.3
61.93068	0.6
69.68205	2.7
69.68622	1.3
71.01376	8.7
77.26826	0.7
88.04037	92.3
89.04363	0.8
91.71903	0.7
107.05018	2.0
114.01954	4.7
115.00371	17.4
123.04521	3.2
127.05115	0.8
132.03023	100.0
133.02922	4.7
150.05583	5.7
151.03996	8.6
172.76584	0.6
175.06366	10.6
203.23688	0.6
204.06747	0.6
204.10269	13.1
222.07695	4.5
248.05701	1.4
248.12932	9.6
266.06674	35.7
266.12286	2.0
267.06992	1.5
273.74887	0.7
280.37372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0661
Annotation	Formononetin
Peak:m/z	Relative Intensity
59.01379	2.6
65.00333	0.2
70.70769	0.6
71.01392	0.3
74.30659	0.2
77.03973	0.3
87.00850	1.1
91.01922	0.9
96.96013	0.3
101.02436	0.3
108.02201	0.3
113.02457	0.2
121.02993	0.2
132.02165	8.3
133.02492	0.3
135.00882	3.7
153.01929	0.6
161.04782	0.2
167.05034	0.4
178.20331	0.2
180.05791	0.4
195.04509	5.7
196.05255	0.6
208.05290	3.9
223.03992	17.7
224.04739	5.4
239.03522	0.3
249.14919	0.4
251.03479	12.9
252.04259	95.3
253.04585	5.7
254.26129	0.3
267.06598	100.0
267.15866	2.3
268.06943	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	265.1191
Annotation	gamma-glutamyltyramine zwitterion
Peak:m/z	Relative Intensity
50.89901	0.6
54.44823	0.6
55.31845	0.5
58.02972	2.7
59.01355	1.8
67.03011	1.1
70.02959	1.2
70.09176	2.4
72.00907	1.4
74.02466	4.1
82.02991	2.6
83.32624	0.5
84.04535	5.9
86.02472	1.9
88.04031	0.7
98.02464	0.9
99.05635	2.0
101.07192	9.8
104.07162	0.6
106.04240	0.7
107.02501	1.3
107.04998	0.6
109.04088	6.5
119.05025	8.4
127.05128	54.7
128.03526	8.6
128.05502	0.9
132.03036	0.9
136.07658	1.0
145.06187	0.7
175.06398	4.8
178.08702	1.1
190.08737	1.4
203.09190	1.0
204.10258	6.5
219.11395	2.7
221.12952	4.5
247.10818	17.5
248.13078	3.6
265.11896	100.0
266.12210	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	264.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68138	0.7
70.02975	17.6
70.59033	2.2
71.01384	3.7
72.00882	0.7
91.05527	5.6
96.99319	7.2
114.01966	100.0
115.02336	1.9
117.03466	7.6
117.07131	1.0
118.06635	1.1
129.01920	1.1
134.06119	24.6
135.06416	1.0
144.08167	1.6
146.04608	3.7
146.05978	1.5
160.07678	3.2
188.07155	3.1
232.06108	13.4
233.06409	0.8
243.48793	0.8
265.92361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0875
Annotation	Nigerloxin
Peak:m/z	Relative Intensity
58.52343	0.5
59.01368	2.7
61.98837	0.8
62.01810	0.6
70.02972	0.7
71.01377	0.8
71.10296	1.3
72.04543	22.4
73.84066	0.6
82.02979	100.0
83.03298	1.3
96.96003	1.1
97.89544	0.7
98.02470	33.2
100.04042	39.8
107.05038	0.7
117.78402	0.7
119.05022	41.1
120.05389	0.9
136.07730	1.1
163.07660	2.3
173.04846	3.1
192.10255	7.2
194.10310	0.7
202.08720	10.3
218.08212	11.2
218.11697	1.5
220.09767	23.0
221.10094	0.8
236.09244	0.7
246.11359	3.7
254.00217	0.7
264.08740	74.8
265.09070	3.4
265.11902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36683	0.4
70.71359	0.6
75.34644	0.4
82.65537	0.4
85.02950	0.6
87.78310	0.5
91.05520	2.5
94.58339	0.4
102.05602	52.2
103.05927	0.7
128.03532	52.7
129.03874	1.0
135.04517	2.9
146.04581	100.0
147.04903	1.2
178.84822	0.5
220.09790	1.2
246.07582	1.4
264.08740	19.2
265.09055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01715	0.4
69.08662	0.3
69.26291	2.5
69.26708	0.9
73.02949	0.9
94.42411	0.3
101.02454	0.5
104.85246	0.3
138.96483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
64.87489	0.7
69.42009	1.9
69.42413	4.1
73.02975	0.9
82.68954	0.8
88.85428	0.8
192.97948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01701	0.6
67.49775	0.3
69.28249	0.3
71.01395	0.4
71.58703	0.6
73.02956	0.8
76.65511	0.3
101.02430	0.6
146.04553	0.5
181.57402	0.4
263.09595	0.5
263.12769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28017	0.4
59.01378	100.0
60.01726	0.9
61.56438	0.3
69.45603	1.5
69.46024	1.4
70.02984	1.2
71.96608	0.3
73.02950	0.5
86.73963	0.5
95.67213	0.4
97.02882	0.5
98.20619	0.6
101.02457	0.8
102.05617	0.6
113.02454	0.6
114.01964	4.6
117.03422	0.4
128.03560	0.6
129.72392	0.4
134.06142	0.9
137.02426	0.8
143.03543	0.6
146.04636	1.4
184.50089	0.5
232.06190	0.8
264.08878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2013
Annotation	KDC 165
Peak:m/z	Relative Intensity
50.74379	0.4
58.69671	0.3
59.01381	3.9
61.98819	0.5
71.01357	0.6
72.23892	0.3
74.87244	0.4
98.20754	0.7
133.02951	0.5
147.04666	0.4
147.47960	0.5
171.66794	0.4
219.21097	0.3
245.19112	0.7
261.18695	0.4
263.20126	100.0
264.20447	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54074	0.5
59.01379	100.0
60.21156	0.4
61.98805	0.4
62.92988	0.4
65.00290	0.5
70.71863	0.6
70.72198	1.1
73.02954	1.2
125.39748	0.4
133.02994	1.5
146.04608	0.5
183.13913	1.0
203.10768	0.7
213.98541	0.4
227.12932	1.0
263.12955	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01703	0.8
69.42707	1.2
69.43131	1.1
71.01369	0.5
73.02944	0.9
85.13838	0.3
89.05024	0.3
101.02421	0.7
146.04634	0.4
263.07742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38326	0.4
51.74136	0.4
59.01378	100.0
60.01710	0.6
67.08118	0.4
71.01392	1.2
72.83120	0.4
73.02939	0.9
73.44574	0.5
83.01337	0.4
85.02985	0.7
96.96052	0.5
101.02449	1.4
128.03609	0.6
146.04689	0.6
166.78621	0.5
176.22687	0.5
217.16409	0.5
229.36858	0.5
229.38959	0.6
260.26773	0.5
263.12927	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1341
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
57.03447	3.3
59.01379	1.3
59.54031	0.4
63.39050	0.4
69.03461	0.5
74.64137	0.4
78.00579	0.5
84.17084	0.4
91.03977	0.8
91.33911	0.4
95.05060	0.5
97.06581	10.6
98.20747	0.8
123.08158	5.8
125.09716	100.0
126.10040	2.2
143.10739	1.0
169.08681	2.8
187.09737	77.6
188.10086	2.3
230.27429	0.5
261.13397	36.8
262.13654	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	262.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.4
69.03447	5.6
70.02972	6.2
71.01372	2.9
71.14647	3.0
72.99314	1.9
73.02962	2.0
82.02962	1.4
85.02946	56.6
87.04514	5.8
94.02977	1.6
96.00922	2.2
96.04548	100.0
97.02928	9.0
97.04861	1.9
98.02438	3.2
99.00879	3.7
100.54279	1.3
108.90197	4.0
110.02491	1.6
110.89912	30.4
111.00938	1.4
111.04517	2.1
112.04035	3.9
112.89636	20.7
114.01960	1.9
114.05614	1.5
115.04015	3.5
128.03525	8.6
129.01944	12.8
140.03503	4.3
141.01947	2.8
142.00444	2.3
142.01463	28.9
157.05035	1.6
158.04565	22.4
159.02893	1.8
165.04076	1.8
172.02458	6.9
184.00145	4.1
185.99983	5.6
202.03548	8.3
218.06808	1.4
223.89941	1.4
225.74985	1.4
262.05637	7.9
282.87527	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	259.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	15.0
59.01388	28.0
61.25202	3.9
61.98863	5.6
68.99818	5.0
70.03001	3.7
70.82883	6.6
70.83215	6.5
71.01378	44.4
72.99297	12.5
73.02948	7.1
74.02475	4.7
75.00851	5.0
75.06330	4.3
78.91902	5.8
78.95901	61.9
79.99305	4.6
81.03474	3.7
82.02988	6.1
83.01372	14.1
85.02934	18.7
87.00870	14.7
88.04024	7.5
88.98792	24.1
91.47762	4.4
96.00900	4.1
96.04541	4.9
96.96949	26.6
97.02958	6.0
99.00875	43.4
99.04510	8.5
101.02433	12.8
102.05602	13.0
111.00872	45.6
112.03997	6.9
112.98808	100.0
114.01887	5.2
115.00360	13.1
119.00173	6.9
126.90340	6.3
128.03534	21.8
129.01955	34.0
129.10294	16.2
130.08720	51.7
131.04599	8.7
133.01717	7.7
139.03940	5.2
145.01437	6.6
147.03011	8.2
153.07521	5.8
158.99693	10.2
161.04492	10.3
164.61795	4.3
171.14934	9.9
173.00896	31.5
191.01910	8.5
197.12836	4.4
198.99194	30.7
215.13953	14.9
229.08551	4.5
241.00938	5.8
241.11853	18.3
259.02142	32.9
259.09183	5.4
259.10236	5.7
259.12973	50.7
260.02240	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	259.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01376	20.5
70.41711	2.4
91.34220	0.7
93.01057	0.7
137.09703	9.1
155.10770	100.0
156.11095	3.4
171.10265	26.3
172.10638	0.8
181.08676	1.5
182.10507	0.9
199.09740	42.0
200.10123	0.9
208.33238	0.7
215.06999	0.8
215.12932	4.3
217.10791	97.3
218.11111	2.9
259.11826	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	259.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.6
70.02972	0.6
71.01390	0.7
74.02452	1.1
78.95901	100.0
82.02996	0.6
85.93587	0.4
86.02420	0.3
87.05631	0.9
96.00932	0.5
96.96960	38.0
109.09363	0.4
112.04024	0.6
113.03580	1.0
114.01954	1.1
114.92019	0.5
127.05130	1.1
128.03516	1.8
131.04637	2.7
138.98000	2.3
144.95445	0.5
145.06195	1.1
146.99928	0.4
168.98999	0.8
172.00977	0.4
176.98065	0.4
187.00981	0.6
198.90576	0.5
199.00105	1.3
204.97765	0.4
213.05119	1.5
224.06752	0.7
233.61902	0.4
240.91803	0.4
241.01215	1.4
241.04648	1.3
242.07861	0.9
258.92624	1.2
259.02213	49.2
260.02435	1.1
274.00000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85791	0.2
58.24093	0.2
59.01367	0.2
63.02391	4.0
65.00316	6.4
65.55182	0.2
66.01353	0.2
66.66638	0.2
68.99799	0.6
69.96547	0.3
69.96941	0.5
75.01320	0.2
83.01379	6.1
95.01374	0.2
98.20583	0.3
107.01385	7.8
108.02209	1.2
109.02938	0.4
117.03458	0.3
120.02103	0.3
123.00855	0.8
125.02439	0.6
127.05476	0.2
130.04236	0.3
133.02950	0.6
136.01636	1.1
141.07082	1.0
143.05069	0.2
145.06583	5.6
151.00352	10.1
152.91716	0.3
157.06531	0.2
158.05264	0.2
164.01158	1.6
167.08614	0.3
169.01334	0.2
169.06590	3.1
171.04501	5.6
172.05301	1.6
172.62801	0.2
183.08125	0.8
185.06064	2.4
187.07623	2.3
192.81941	0.2
193.06540	0.3
194.92726	0.6
196.00110	0.3
211.07600	3.0
212.07909	0.3
213.05540	9.3
214.05954	0.3
227.07068	0.9
240.04276	0.2
255.06592	100.0
255.23233	4.3
256.06946	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	255.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95016	1.2
55.01877	2.5
55.72663	1.2
57.03444	1.7
58.12692	1.2
59.01371	4.7
60.76327	1.1
67.01881	1.5
67.80807	1.1
69.03449	3.0
69.46945	6.7
69.47368	3.0
70.89043	1.1
74.75153	1.3
77.73431	1.3
81.03471	1.5
81.72304	1.4
83.01385	50.3
83.04569	1.1
83.05016	8.2
83.42153	1.3
86.46039	1.4
87.04487	1.6
93.38998	1.2
94.43262	1.2
96.90271	1.3
106.25633	1.3
123.08148	1.4
125.09737	2.8
148.37140	1.2
156.04817	1.3
163.11230	1.7
165.12849	3.1
167.14409	3.5
169.12396	2.1
171.10289	32.4
175.11270	4.4
183.13936	6.4
193.12329	64.0
194.12683	3.4
194.92744	3.8
211.13387	100.0
212.13725	5.9
221.34117	1.3
237.11351	1.8
255.06686	4.1
255.12389	45.2
255.16162	3.1
255.23276	55.1
256.12689	3.0
256.23660	3.5
256.60675	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	256.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81598	1.9
57.81932	2.2
58.02958	8.3
59.01363	3.1
69.44913	4.3
69.45325	11.9
70.02954	3.1
84.04551	2.3
92.05002	2.0
96.25774	2.0
112.11311	29.0
112.21233	2.1
117.86604	2.1
125.70849	1.9
128.10799	6.1
134.21191	2.3
140.10823	4.6
156.10275	10.8
171.14996	6.3
184.09769	100.0
185.10098	4.1
197.12917	17.4
213.15997	2.8
215.13918	7.7
220.16911	2.3
238.00482	2.4
255.23264	4.8
256.06018	6.7
256.23605	15.4
257.15002	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	255.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63844	0.2
60.16895	0.2
62.84768	0.2
64.25251	0.2
66.67862	0.2
70.56856	0.5
70.57226	0.5
73.69314	0.2
96.95979	0.3
144.46518	0.2
152.91756	0.6
157.77214	0.2
167.04987	0.5
167.17841	0.2
170.03749	0.5
171.04482	0.4
172.05301	2.2
183.04539	0.2
183.84178	0.2
184.05286	0.7
194.92766	1.4
195.04514	2.5
196.05284	7.4
197.05659	0.4
198.03232	1.1
199.03897	0.3
211.03993	3.1
212.04770	5.8
219.84557	0.4
239.03455	2.2
240.04265	100.0
241.04607	5.5
255.06606	47.1
255.23271	3.6
256.06949	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	255.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81950	0.2
52.53429	0.2
52.54191	0.2
59.15167	0.2
63.02397	5.2
65.00323	6.6
68.99833	0.5
83.00909	0.4
83.01386	6.2
86.21532	0.2
87.39679	0.2
95.01382	0.5
98.20628	0.7
107.01385	8.2
108.02185	1.2
117.03410	0.3
123.00876	0.3
125.02444	0.6
130.04276	0.3
133.02997	0.3
136.01672	1.1
141.07117	0.7
143.05038	0.4
145.06589	6.5
151.00368	10.5
152.00710	0.4
152.91702	0.3
157.06689	0.2
164.01154	1.4
167.08588	0.4
169.06573	2.9
171.04500	6.5
172.05275	1.7
172.67752	0.3
183.08168	0.8
185.06047	1.6
187.07669	2.2
194.92812	0.6
196.00148	0.2
211.07639	3.2
213.05577	9.7
214.05873	0.3
227.07098	0.9
240.04266	0.5
255.06612	100.0
255.23247	4.3
256.06955	5.8
256.09604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0661
Annotation	Cirrhopetalanthridin
Peak:m/z	Relative Intensity
50.13334	0.3
59.01357	1.3
65.03947	0.6
67.26371	0.4
71.01379	0.4
71.57693	0.4
82.39996	0.4
88.04034	2.1
89.04369	0.5
91.01894	11.3
108.02168	4.8
109.02951	6.7
114.62997	0.5
119.01403	0.7
119.05013	1.7
121.02957	2.3
122.59594	0.4
132.03032	1.7
133.03374	1.0
135.00873	7.2
137.02460	0.8
141.07083	0.7
149.02417	3.2
153.01974	2.4
153.07088	0.5
157.06564	0.9
165.07082	2.4
167.08611	2.0
169.06538	0.5
180.05797	1.3
181.01610	0.4
181.06541	2.4
183.02338	0.5
183.08089	0.5
193.06567	2.5
193.58954	0.4
197.06013	1.3
199.07603	3.9
208.05272	14.6
209.06059	21.5
210.06442	1.0
211.07587	1.5
211.13219	0.4
224.04768	1.8
227.07140	2.2
236.05002	0.4
237.05556	28.8
238.05878	1.6
240.04132	0.6
255.06607	100.0
255.23274	34.5
256.06912	5.1
256.23587	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	253.2172
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01376	30.4
61.39210	6.1
69.87201	28.7
84.41589	6.5
97.13489	6.4
118.64520	5.8
164.13574	6.1
193.07137	7.7
231.66983	7.6
253.21700	100.0
254.22006	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	254.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90778	0.4
53.91500	0.3
59.01374	0.9
61.98830	100.0
69.34437	3.1
78.95897	0.5
80.28912	0.4
98.20657	0.6
103.18674	0.3
103.19357	0.3
105.01956	0.3
110.76795	0.3
112.98812	0.4
122.02487	0.9
142.99861	1.0
184.25713	0.3
192.30232	0.4
255.05028	0.4
255.23305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
60.01710	0.6
61.98826	100.0
69.83841	1.3
75.00873	0.6
84.23105	0.2
105.01936	0.3
115.42065	0.2
122.02477	1.0
142.99918	0.5
173.01006	0.3
222.09212	0.7
236.00534	0.3
255.23276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
60.01715	0.3
61.98813	0.2
75.66669	0.1
82.42175	0.1
98.68721	0.2
139.05533	0.3
141.03400	0.2
143.05067	0.3
152.91734	0.6
155.05022	0.5
167.05017	4.1
169.02904	1.4
171.04518	0.3
182.03659	0.6
183.04491	2.2
194.92818	1.1
195.04460	2.8
210.03183	0.5
211.03981	100.0
212.04335	4.3
225.74872	0.2
239.03468	86.5
240.03827	4.5
254.05812	72.4
255.03352	0.3
255.06155	4.3
255.23271	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	251.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.9
57.03456	5.4
58.00579	2.7
59.01378	67.7
61.98842	1.0
66.18484	1.0
66.81463	0.7
67.01867	0.8
69.03431	1.1
71.01379	100.0
71.23050	0.9
71.25313	1.3
72.99298	4.3
73.02945	35.7
75.00867	3.8
81.03424	1.0
83.01385	15.7
83.67638	0.8
83.79264	0.7
84.02155	1.1
85.02946	49.4
87.00887	5.0
87.04516	1.9
89.02442	20.3
89.06073	3.0
93.41621	0.9
95.01389	6.9
97.02985	2.5
99.00874	12.3
101.02441	82.3
102.02747	1.2
111.00839	1.4
113.02447	45.2
115.70042	0.8
119.03487	4.5
125.02405	2.8
129.01938	1.7
136.63731	1.0
143.03497	4.6
159.02985	11.4
159.99835	0.9
161.04543	53.8
205.03419	0.9
231.22604	0.9
251.07617	1.7
251.11349	38.6
252.11676	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	253.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
62.53259	0.1
64.44211	0.1
69.40958	0.4
69.41363	0.6
83.01348	0.2
89.02389	0.2
89.03990	0.2
91.01883	1.7
93.03461	0.3
101.02441	0.2
117.03427	0.4
121.02952	0.3
132.02115	0.8
133.02965	2.3
135.00891	2.2
136.01233	0.2
137.02448	0.8
153.01923	0.3
155.35028	0.1
160.01627	0.2
161.04504	0.1
169.06628	0.7
179.04909	0.2
180.05809	0.8
181.06599	0.4
182.03711	0.2
183.04515	0.3
188.89693	0.1
193.07097	0.2
195.04543	0.5
196.05295	1.3
197.06067	1.1
208.05272	2.4
209.06078	2.8
210.03185	0.2
211.03990	0.2
223.04013	2.0
224.04762	3.7
225.05510	2.0
227.93475	0.2
251.03600	0.1
252.04282	0.8
253.05045	100.0
254.05380	5.8
257.23904	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	253.0504
Annotation	2',6-Dihydroxyflavone
Peak:m/z	Relative Intensity
54.81326	0.2
58.78373	0.2
59.26040	0.2
69.48030	1.3
69.48356	0.3
91.01884	1.1
127.87769	0.2
132.02107	0.3
133.02942	0.9
135.00862	0.9
169.06630	0.2
180.05783	0.5
181.06610	0.2
183.04535	0.2
195.04535	0.4
196.05286	0.5
197.06050	0.6
200.00056	0.2
208.05238	1.4
209.06046	1.2
209.60361	0.2
223.03984	0.9
224.04784	1.9
225.05435	0.9
226.08391	0.2
252.04272	0.3
253.05034	100.0
254.05389	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	253.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49722	0.2
59.01377	2.8
61.98804	0.2
70.70459	0.4
73.10925	0.2
75.52660	0.2
91.01885	1.7
117.03483	0.3
122.71256	0.2
130.20589	0.2
132.02167	0.7
133.02966	1.7
135.00888	1.8
153.01884	0.3
158.83075	0.2
160.01738	0.2
167.04967	0.2
169.06555	0.6
180.05768	0.6
181.06651	0.5
182.03662	0.2
183.04541	0.4
193.07137	0.4
195.04507	0.4
196.05312	1.1
197.06030	1.5
207.04437	0.3
208.05263	2.8
209.06039	3.0
211.03802	0.3
223.04002	1.8
224.04741	4.1
225.05515	2.1
233.80450	0.2
243.38872	0.2
252.04276	1.0
253.05035	100.0
254.05382	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	251.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.3
55.02965	0.9
57.03452	6.1
58.00580	3.8
59.01377	82.6
60.85289	0.8
61.98816	1.8
69.03426	1.1
70.37444	2.8
71.01378	100.0
72.99306	4.5
73.02943	35.9
73.03358	1.9
75.00870	3.2
83.01386	17.6
84.02185	1.1
85.02946	46.0
87.00869	5.3
87.04519	2.2
89.02440	24.4
89.06085	1.1
95.01387	7.5
97.02937	2.4
99.00876	14.2
100.01237	0.8
101.02438	94.3
102.02792	1.6
103.03992	1.5
111.00893	1.9
113.02444	44.3
115.00340	1.2
116.47575	0.7
119.02705	1.1
119.03477	6.9
125.02446	2.3
129.01923	2.5
136.07735	0.8
143.03485	5.8
143.37453	0.8
146.06075	0.8
159.02982	8.2
161.04547	57.6
198.08107	0.9
205.03531	0.8
251.07506	2.1
251.11337	49.7
252.11768	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78548	0.4
59.01365	1.1
69.64359	0.4
70.02969	0.6
70.63161	1.0
71.01379	6.6
72.00909	0.8
85.11282	0.3
88.04037	77.0
89.04361	1.0
91.05531	3.6
114.01960	4.8
115.00367	14.0
132.03021	100.0
133.03326	1.1
134.06090	0.5
134.33661	0.3
135.04515	4.8
143.91391	0.4
206.08174	2.5
232.06096	1.1
241.73393	0.4
250.07199	26.4
251.07542	0.8
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	N-Feruloylglycine
Peak:m/z	Relative Intensity
50.45573	0.3
59.01363	1.3
70.02967	0.5
70.57717	1.0
71.01380	5.4
72.00880	0.5
74.54327	0.3
77.87159	0.4
88.04038	78.4
89.04405	0.5
91.05540	3.5
98.23158	0.3
111.75842	0.3
114.01971	4.6
115.00372	14.2
117.03473	0.4
132.03023	100.0
133.03354	1.3
134.06105	1.0
135.04517	4.5
172.23714	0.3
206.08206	2.8
232.06175	1.1
250.07181	27.7
251.07451	1.2
267.59479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1858
Annotation	9-Oxo-2beta-methoxyclovane
Peak:m/z	Relative Intensity
59.01379	8.1
60.66279	1.2
61.98803	1.4
71.60801	1.2
72.72342	1.1
85.02903	1.2
88.04033	3.8
96.96001	1.2
98.20689	2.2
117.03450	3.5
121.02928	1.3
123.00858	1.1
132.02995	4.2
149.82492	1.1
161.02419	5.2
164.75645	1.1
204.04224	4.7
205.01414	1.3
205.15944	20.1
219.06522	3.0
229.63895	1.8
248.58154	2.9
248.97064	1.6
249.07700	3.7
249.14925	32.3
249.18546	100.0
250.14464	38.5
250.18808	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81560	0.5
53.89848	0.4
59.01378	1.0
67.51510	0.4
70.02991	0.6
70.19525	2.0
71.01384	6.0
72.00921	0.5
88.04040	72.8
91.05533	2.8
98.20821	0.4
114.01969	4.9
115.00375	12.5
132.03024	100.0
133.03323	1.1
134.06149	0.8
135.04509	5.8
164.53651	0.6
168.40979	0.5
195.86906	0.5
206.08223	2.4
232.06223	0.8
250.07195	32.0
251.07669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1494
Annotation	Sch 601254
Peak:m/z	Relative Intensity
59.01375	20.2
60.98650	1.7
61.98830	4.1
61.99398	2.0
68.99566	5.3
69.03455	28.3
69.79939	3.8
69.80356	6.1
73.02948	2.7
81.03522	1.7
85.02954	2.2
88.04037	7.8
95.05022	2.2
98.20647	2.6
112.98561	10.7
117.03463	4.8
121.02933	3.0
130.08199	1.8
132.03040	9.2
132.33176	1.7
134.07291	2.6
149.13272	2.5
154.97374	5.3
161.02451	4.6
187.14883	3.1
191.81949	2.3
193.12279	6.5
204.04262	19.2
205.12314	7.6
205.15961	9.4
219.06627	7.0
221.15460	14.0
231.13879	27.0
248.97234	4.6
249.07764	5.9
249.14946	100.0
250.07175	2.9
250.14484	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	249.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
64.05970	0.9
64.64468	0.9
69.03448	1.5
69.41692	6.3
69.42108	1.7
69.43128	0.9
70.57667	0.8
88.04096	1.1
94.98415	1.0
98.20602	1.8
102.70828	0.9
103.66729	0.9
109.27412	1.0
111.44870	1.1
112.98549	1.8
114.42440	0.9
126.56857	1.0
127.07635	5.2
131.35136	0.9
132.03008	2.1
133.10159	1.2
154.97353	1.1
160.57774	1.0
167.06894	2.2
179.10661	1.1
181.12344	18.5
183.13965	1.1
189.05362	2.3
189.08968	1.3
197.11935	1.5
199.07341	1.8
201.08942	4.2
203.10516	13.5
204.04283	2.2
205.08415	1.7
205.12080	4.0
217.08414	3.4
219.06590	1.1
219.09958	7.0
221.11551	5.2
223.13120	83.2
224.13411	3.1
233.07944	4.9
235.09488	13.9
237.11049	42.4
238.11296	1.6
249.11044	100.0
250.11465	4.5
250.14229	1.2
265.10486	3.9
267.12106	44.5
268.12402	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	249.1241
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
59.01384	2.4
61.98822	0.3
71.01375	0.8
71.55713	0.4
73.02968	0.6
85.02956	0.5
87.00925	0.2
93.03492	0.4
96.95973	0.4
98.15294	0.3
99.04484	0.4
101.02443	0.7
107.05029	1.1
109.02934	0.3
114.01988	0.4
119.05360	0.5
121.02928	0.4
123.04528	0.9
123.05447	0.3
131.03758	0.4
133.02946	0.5
134.02620	0.5
134.03732	2.3
135.04514	83.7
136.04109	0.3
136.04881	2.2
137.02464	0.5
146.03737	0.4
147.04492	0.5
148.04099	0.6
148.05298	1.9
149.04781	0.5
159.04485	0.3
160.04059	0.7
161.02415	0.6
161.06032	0.3
175.06357	2.0
176.03586	0.6
176.06718	4.6
178.05081	1.5
178.08713	0.7
190.04993	0.6
193.49471	0.3
204.04283	1.7
204.10252	0.8
205.01508	0.3
205.10625	5.0
206.08444	0.3
207.11348	5.5
219.06517	1.3
234.05362	0.4
249.12415	100.0
250.07315	0.8
250.12560	4.4
250.14983	0.6
267.47772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0925
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
52.01907	0.6
52.77423	0.5
54.06736	0.4
59.01359	0.4
70.02965	0.9
70.12485	2.0
72.04545	5.6
82.02979	100.0
83.03330	1.0
89.34483	0.5
91.05529	5.8
92.65427	0.5
96.96010	1.5
98.02464	9.7
100.04041	52.8
151.06325	0.7
176.10791	1.7
202.08720	18.5
203.09030	0.8
204.10286	0.9
220.09766	0.6
248.09248	45.7
249.07600	0.9
249.09750	1.7
253.20169	0.5
264.31918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.129
Annotation	Peyophorine
Peak:m/z	Relative Intensity
56.47357	0.2
59.01370	1.2
61.00980	0.3
66.72659	0.2
70.02967	0.7
71.10503	0.5
74.54408	0.2
85.02946	0.4
87.00845	0.3
89.31549	0.2
96.96014	0.3
104.39391	0.2
119.05372	3.8
122.02383	0.3
122.03716	1.1
123.04540	0.5
126.05558	0.3
131.03746	0.8
135.04512	2.7
147.03329	0.5
147.04495	4.1
148.05177	0.6
159.04477	0.8
160.04066	1.7
162.05591	0.8
163.04048	0.8
164.07143	0.5
165.09178	0.7
174.05592	5.2
175.06369	100.0
176.06754	3.4
189.05531	0.7
203.07124	0.4
204.10271	93.2
205.10603	3.9
219.06894	0.4
219.08965	3.7
220.06056	0.5
233.36412	0.3
248.05865	1.6
248.12895	44.2
249.12787	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	249.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00667	0.7
57.03445	1.6
59.01376	100.0
60.01727	0.9
61.98829	1.3
62.73360	0.8
71.01379	7.4
71.55003	0.8
71.55447	1.0
73.02933	5.0
75.00872	2.2
83.01385	2.0
85.02944	5.9
87.00877	2.1
96.96014	1.5
99.00877	2.0
99.04512	1.1
101.02427	9.1
107.05072	0.9
109.02945	0.9
111.00877	1.4
113.02410	4.1
114.68024	0.9
115.00359	0.9
118.98039	1.0
119.05364	1.7
119.69498	0.7
121.02923	1.0
122.03613	0.7
123.04496	1.7
131.03770	0.9
134.03716	1.7
135.04520	39.0
137.02464	1.1
147.04454	1.1
148.05203	1.3
149.02382	0.9
155.13757	0.8
159.03040	1.3
161.02403	0.8
161.04512	2.9
162.05620	0.7
175.06305	2.7
176.06715	5.3
177.05472	0.8
178.05084	1.0
178.08765	1.1
204.04266	6.2
204.10231	1.4
205.10585	7.2
207.08705	16.4
207.11407	2.4
219.06569	4.0
249.05850	1.8
249.12416	49.7
249.14752	1.7
250.07053	1.9
250.12401	1.4
250.14433	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	245.1393
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
58.43871	0.5
59.01376	31.4
60.35315	0.4
67.69917	0.5
69.39907	0.9
69.40315	3.6
80.08876	0.6
94.32338	0.6
113.83572	0.5
116.05048	0.9
165.12857	4.7
183.13890	32.0
184.14297	1.1
185.11813	100.0
186.12169	3.3
209.11757	0.6
227.12857	12.4
245.13911	74.4
246.14217	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	245.1393
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03445	1.8
69.43097	3.5
70.37303	0.4
71.05020	1.0
83.05025	1.1
95.05083	0.5
95.64754	0.5
97.06561	1.0
111.08144	2.7
125.09692	1.0
155.14455	2.2
163.11342	1.2
165.12839	17.2
171.10289	0.9
171.72816	0.5
181.12280	0.7
183.13896	17.6
184.14243	0.8
187.91356	0.4
199.13362	1.2
201.14958	9.4
202.15381	0.5
207.10260	0.7
209.11804	13.2
225.11313	1.6
227.12880	44.0
228.13150	1.6
243.12318	0.8
245.13916	100.0
246.14256	3.4
252.36008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1701
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01377	0.9
69.21604	0.4
69.22032	1.3
71.01369	0.6
72.03728	0.1
79.95734	0.5
83.01334	0.1
89.02428	0.3
90.97134	0.3
103.03986	0.4
121.02955	0.3
125.00294	0.1
126.07048	0.2
128.85434	0.2
132.98207	0.3
134.63718	0.2
165.01921	0.2
174.99208	0.6
176.99310	0.3
184.00165	3.4
186.95599	1.4
191.00911	0.2
200.50017	0.3
205.00247	0.2
205.16000	0.2
220.17081	0.9
231.13875	0.5
247.17007	100.0
248.07977	3.8
248.17354	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	245.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94238	1.1
57.03443	1.3
58.00588	7.1
59.01379	16.9
61.39357	0.9
71.01373	10.4
71.23706	1.4
71.50397	1.0
72.02147	2.6
72.99297	1.6
73.02913	2.2
81.07097	2.1
84.02159	1.8
85.02941	2.8
87.00394	1.7
87.00868	18.1
88.04037	1.1
89.02448	8.3
95.05010	4.3
97.06594	14.7
99.00874	1.9
99.08144	9.3
101.02414	2.0
107.04979	1.3
108.02132	1.6
109.06573	4.3
111.08169	1.2
112.01632	1.5
113.03528	2.6
125.06074	3.6
127.07644	100.0
128.07962	2.1
129.01921	3.7
129.09247	6.4
129.10129	1.0
130.08746	6.3
137.06049	9.0
139.07602	7.7
147.03023	2.5
149.52574	1.1
151.07597	1.0
153.09149	1.2
155.07124	38.8
156.16447	1.1
157.08672	3.6
163.07610	1.7
167.07076	4.0
173.04738	1.8
183.09937	1.2
185.08171	4.5
202.08682	3.4
215.26460	1.1
227.10405	1.8
245.04274	1.7
245.10275	6.5
246.11272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1293
Annotation	Hypaphorine
Peak:m/z	Relative Intensity
51.51734	0.5
57.03444	0.5
59.01371	2.0
62.37183	0.5
71.01376	0.7
71.54692	0.6
78.95889	0.6
85.02965	0.5
87.00857	1.1
109.06514	0.6
115.00430	0.5
116.05051	1.2
119.91020	0.4
127.07662	2.8
129.71442	0.5
130.08763	0.8
139.07672	0.6
142.06622	100.0
143.06966	4.0
143.11978	0.4
148.04121	0.6
155.07072	0.6
186.05597	16.6
245.04507	0.6
245.10225	0.7
246.11552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0929
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
57.37043	1.3
58.02971	24.9
59.01375	2.2
63.12206	1.3
63.32991	1.4
69.47312	10.7
70.02970	15.0
72.00903	4.4
72.04528	5.3
74.02470	93.5
75.30925	1.2
91.40504	1.6
97.88295	1.5
98.02477	21.1
111.14693	1.5
116.03542	30.7
116.05048	31.6
130.06586	4.4
131.42709	1.2
132.91275	1.3
142.06650	8.9
156.08141	1.9
159.09286	7.6
168.03502	1.1
183.09225	3.0
186.05634	1.8
201.10358	6.8
203.08253	86.5
204.08618	4.7
209.11856	3.3
245.09286	100.0
246.09605	4.3
250.63809	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	245.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	23.1
58.92332	1.4
59.01368	3.0
70.02976	18.0
72.00903	5.4
72.04533	4.9
74.02470	100.0
98.02480	18.3
102.98044	1.4
104.15452	1.4
114.36509	1.3
115.04018	1.8
116.03541	30.7
116.05053	33.1
130.06580	3.2
142.06615	7.2
147.73703	1.3
152.24728	1.4
159.09262	6.6
183.09215	1.8
201.10187	5.0
201.11456	5.0
203.08243	92.4
204.08478	2.4
209.11815	4.8
223.86374	1.5
227.12836	2.2
245.09288	97.3
245.13626	4.1
246.09634	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	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.5
61.98823	1.7
66.90235	0.3
69.03466	0.6
70.85226	0.8
71.01381	0.5
77.44374	0.4
78.44889	0.3
83.04996	0.4
90.26966	0.4
91.70174	0.4
120.09373	0.4
125.09809	0.4
135.76971	0.4
155.10748	0.5
167.14444	0.9
181.12431	0.4
183.13892	8.1
184.14223	0.4
193.12286	1.9
211.13383	100.0
212.13785	3.9
240.61157	0.4
243.06360	0.5
243.16071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0429
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
52.71162	1.4
55.61075	1.5
59.01382	17.7
61.60649	1.4
62.25918	1.2
69.45734	1.1
70.28026	1.2
70.65961	2.9
70.66348	2.8
71.01392	7.4
72.99304	36.5
78.95900	85.2
85.48665	1.5
89.02434	9.0
92.92815	2.2
94.92522	8.7
94.95717	3.0
96.96951	8.9
101.02441	21.4
108.90162	7.3
112.92313	3.7
113.02470	3.3
113.59225	1.4
118.97522	1.7
119.03487	23.0
120.97252	3.1
128.95981	2.2
134.97083	2.7
136.96754	3.2
140.91853	2.1
146.92542	4.7
150.97998	1.5
152.95959	32.1
152.99580	72.7
158.97072	2.6
160.96799	4.6
168.93150	1.8
168.95432	1.6
169.98665	1.8
170.92819	2.2
170.96996	48.4
171.00642	26.1
171.02965	1.7
171.97330	1.9
172.06200	1.8
172.98618	3.8
178.97481	1.3
188.98157	3.2
190.97829	3.4
206.99129	6.7
208.98857	12.2
209.06683	10.6
231.73645	1.3
244.90269	10.7
245.04315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1235
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
54.77471	0.2
57.03428	0.4
59.01374	0.9
60.02090	0.3
66.23637	0.3
69.70113	0.2
71.01400	0.3
71.05016	2.7
71.58691	0.4
76.69018	0.3
83.05003	0.9
95.05083	0.3
97.02941	2.9
97.06585	1.1
99.00876	15.7
100.01219	0.3
109.06587	1.1
110.03726	1.3
123.08141	0.5
125.09721	4.7
125.49880	0.3
135.08127	0.6
136.05292	0.7
142.02724	1.0
145.10170	0.4
151.99356	0.4
153.12793	0.4
154.41829	0.3
155.14485	1.3
161.09840	0.3
163.11276	5.5
164.11642	0.3
171.10236	0.6
179.10767	0.5
179.58998	0.3
181.12329	16.2
182.12668	0.5
197.11832	0.9
199.13379	10.7
200.13733	0.5
203.44891	0.3
207.10248	30.9
208.10622	1.6
225.11310	56.6
225.30327	0.2
226.11703	2.1
243.12352	100.0
244.12695	4.9
249.36943	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
57.03444	7.2
59.01370	2.8
65.99825	0.5
69.20455	5.6
69.20863	1.0
71.01398	1.0
71.05019	13.7
75.00896	0.6
77.41683	0.6
83.05034	0.7
85.06584	8.3
97.06599	1.6
98.19942	1.4
99.08172	0.9
111.08138	3.6
119.04964	0.6
125.09702	6.7
128.65437	0.5
132.02229	0.6
139.07646	1.1
143.07127	2.2
144.04543	2.6
145.02939	1.7
153.12828	3.6
163.11278	0.7
165.54683	0.6
167.07164	0.7
172.04034	2.6
181.12321	17.3
196.48119	0.6
197.11777	3.7
199.13387	100.0
200.13736	3.1
216.00812	1.2
216.02968	7.3
225.11276	5.3
233.56737	0.6
243.12352	60.0
244.02507	15.2
244.12708	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	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
59.01378	100.0
71.32101	2.0
74.48016	1.3
87.46970	1.4
95.05034	1.4
95.15117	1.2
99.08173	2.6
107.05019	4.0
111.11183	1.6
113.06126	1.8
125.06080	3.6
127.07623	1.5
139.11267	20.8
148.66724	1.4
155.07144	14.0
158.15315	1.3
163.11305	3.2
181.12328	35.5
182.12675	2.3
183.10258	24.4
199.13394	11.5
225.11325	8.8
243.12349	82.4
244.12804	2.7
248.81778	1.4
249.40268	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	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
55.86089	0.4
57.03439	1.1
59.01351	1.0
69.84724	1.4
69.85138	1.1
71.05016	3.3
72.04122	0.4
83.05009	1.4
97.02937	5.1
97.06588	1.2
99.00879	18.7
109.06564	1.5
110.03725	2.2
111.04549	0.6
125.09708	6.4
127.11268	1.1
135.08179	1.2
136.05246	0.6
142.02713	1.9
153.12787	0.8
155.14433	1.4
163.11295	8.5
171.10292	0.8
174.57318	0.4
179.10814	0.6
181.12340	23.6
182.12637	0.6
197.11844	0.8
199.13399	19.8
200.13710	0.8
207.10249	44.5
208.10512	1.9
215.05827	0.7
225.11310	78.9
226.11716	2.6
243.12354	100.0
244.12660	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	243.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
56.95506	0.3
57.03447	0.5
59.01372	3.8
61.98838	0.7
65.03961	0.5
66.03482	0.7
69.03448	0.6
70.17915	0.4
70.18247	1.5
71.01388	2.7
72.99300	1.1
73.02945	0.4
75.00862	0.9
79.95740	0.7
82.02969	1.2
83.01380	0.5
83.05022	1.4
84.04483	0.5
85.02943	0.6
87.00874	100.0
88.01215	0.5
88.04064	0.4
93.03463	6.5
97.04092	0.7
99.00860	1.1
101.02434	1.1
109.02946	1.7
109.04047	0.6
110.02467	2.9
110.06102	0.4
111.00904	0.9
111.04522	8.2
112.98796	2.1
115.00349	2.1
117.01918	0.5
122.02522	0.5
127.00417	0.4
127.08739	0.7
129.01953	1.9
130.06627	1.0
137.02441	2.4
137.03560	1.9
139.08760	1.2
140.03427	0.5
142.99886	2.0
145.01419	3.6
145.05365	0.5
152.03493	0.8
155.03462	1.1
156.08197	0.6
169.06143	0.7
169.09734	0.5
171.02309	0.8
173.00877	2.0
183.01569	0.6
184.07619	0.4
186.09160	0.4
200.05623	1.4
205.03474	1.2
212.10872	0.4
213.08801	1.2
229.08708	0.7
229.11052	13.4
240.10196	0.6
242.11816	2.0
243.05792	1.6
243.09927	0.8
243.16013	0.4
244.13370	1.6
248.35019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83175	1.3
59.01377	2.2
61.98819	5.2
67.01895	1.7
69.03452	29.7
69.53614	8.8
79.01897	9.6
85.02975	1.2
91.01875	4.0
93.03409	1.1
94.77479	1.1
95.01381	6.2
97.02952	14.5
105.03420	1.3
107.01376	15.9
108.02169	61.5
109.02946	4.8
110.02456	2.1
110.03189	1.2
111.00887	2.2
121.02953	2.4
123.00864	10.7
125.02447	27.1
135.00880	66.1
136.01202	2.5
137.02444	4.3
151.00348	2.3
152.01144	100.0
153.01472	2.9
197.06062	5.1
211.13391	18.5
243.02940	1.4
243.06592	27.3
243.12112	2.5
244.06894	1.4
244.09795	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	241.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02823	0.6
57.03450	4.8
59.01387	7.5
61.01786	1.4
61.98827	3.5
67.01879	1.3
67.73914	0.7
68.99824	3.3
69.03446	2.9
71.01378	3.2
71.56673	1.1
73.02931	1.0
80.32877	0.8
81.03458	1.0
83.05032	1.9
86.04675	0.7
89.02412	1.0
92.99809	0.8
93.03499	1.1
95.05043	1.9
97.06581	1.5
101.02433	5.3
109.06571	1.1
111.08154	9.2
113.02402	0.7
121.02946	0.9
125.02484	0.8
127.04028	1.4
139.00377	1.8
153.09178	0.8
153.45990	0.9
162.23289	0.7
163.11188	0.9
165.05548	0.8
165.12833	100.0
166.13152	5.4
180.94739	0.8
181.07259	10.0
181.12379	2.4
191.10748	2.8
197.11691	0.9
197.15384	1.3
209.11804	8.3
211.17091	2.1
223.17087	1.8
226.02643	2.1
227.12933	1.2
240.99673	0.7
241.04988	2.1
241.07120	1.9
241.10793	0.9
241.14554	3.4
241.18086	21.0
241.21741	2.8
242.18208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58718	0.4
59.01372	1.7
61.98838	0.6
66.88884	0.5
70.02977	1.7
71.01376	7.6
71.55506	0.8
72.00899	0.7
83.62708	0.5
88.04037	100.0
89.04367	1.4
96.99313	2.2
100.91568	0.5
114.01962	9.1
115.00373	15.9
125.17797	0.5
126.09248	2.3
127.03832	0.5
127.07644	10.5
132.03023	67.4
133.03419	0.9
137.00652	0.5
172.68619	0.5
195.73923	0.5
198.11317	4.3
224.07288	0.5
224.09372	1.7
225.11386	0.5
225.61725	0.5
242.10321	35.3
243.10645	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14962	0.6
53.24808	0.8
55.01888	0.7
57.02160	0.8
58.02982	2.1
59.01377	100.0
67.80757	0.7
69.03480	1.2
70.70767	2.0
71.01385	2.4
72.60080	0.8
73.02940	1.4
73.69141	0.8
85.02963	2.4
87.00876	14.6
89.02462	1.1
96.32127	0.7
97.02959	1.3
99.00846	3.9
101.02447	2.1
117.01928	3.7
125.02481	2.0
129.01921	1.1
138.05600	1.7
141.01974	1.2
152.07198	1.0
159.03000	1.1
161.04541	15.4
177.03964	0.9
179.05605	75.3
194.40666	0.7
198.90947	0.7
205.65216	0.7
221.09406	1.3
239.07800	2.6
239.10364	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	239.1287
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01076	0.6
59.01376	8.3
69.48097	1.0
69.48521	1.7
81.58514	0.5
86.87436	0.5
87.00864	1.1
95.17796	0.4
131.63145	0.4
161.04559	1.3
177.12813	2.7
179.05594	6.4
187.35349	0.5
195.13885	100.0
196.14200	4.4
203.10803	0.8
227.65349	0.4
239.12875	15.5
240.13258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.0
59.01379	7.1
61.01804	1.0
61.98829	3.8
64.60825	0.8
68.99841	1.1
69.03448	2.8
69.14851	0.7
69.95518	2.8
71.01368	2.5
71.05008	0.8
81.03445	0.8
83.01408	0.9
83.05034	1.2
89.02409	1.7
95.05012	2.2
97.06567	1.6
101.02435	6.9
107.05039	0.7
108.02204	1.2
109.02956	1.0
111.08153	9.6
112.98590	1.0
126.09697	0.7
127.04004	2.0
139.00436	0.9
146.86858	1.2
153.38927	0.7
163.11296	1.1
165.12836	100.0
166.13113	3.5
169.15993	0.7
179.05585	0.9
181.05789	1.6
181.07317	8.0
181.12344	2.1
191.10806	2.5
197.15515	3.3
209.11790	8.9
211.16994	2.5
223.17067	2.0
226.02779	1.2
241.05115	1.7
241.10912	1.1
241.14386	3.3
241.18068	20.2
241.21648	3.4
242.18234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24193	0.9
57.03439	1.0
59.01380	100.0
70.55186	1.9
71.01375	4.9
72.99318	1.3
73.02935	1.7
75.00880	7.0
75.29834	1.1
85.02959	6.8
87.00883	15.1
89.02460	2.1
97.02966	1.6
99.00871	3.6
101.02444	3.1
104.46877	0.9
105.01939	1.7
107.71028	1.0
117.01921	3.2
125.02440	1.6
129.01927	1.9
129.16330	0.9
129.39894	0.9
130.33620	0.9
131.03471	3.1
133.21410	0.9
141.01924	1.2
159.03008	2.0
161.04564	15.3
165.04030	18.3
177.04044	1.2
179.05612	73.7
180.05986	2.2
185.98180	1.8
196.34346	0.9
203.00728	1.1
221.06638	4.4
239.07668	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	239.077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80204	0.7
53.43429	0.6
54.89940	0.6
56.35388	0.7
59.01375	100.0
64.22728	0.6
71.01389	2.5
71.29713	1.5
72.47345	0.6
73.02949	1.6
75.45332	0.7
79.01875	0.7
85.02949	2.3
87.00867	13.1
91.70072	0.7
97.02954	0.7
99.00887	2.4
101.02453	1.8
103.19775	0.7
117.01949	2.3
124.08315	0.6
125.02461	1.9
141.01952	1.5
159.02975	1.1
161.04544	16.2
177.04080	1.7
179.05592	73.6
180.06017	1.2
239.07788	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	236.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.63801	0.8
61.98812	1.2
70.86279	1.3
71.01377	14.2
73.68357	0.8
97.13113	0.7
115.00369	30.2
119.05037	2.7
120.04549	100.0
121.02944	26.0
121.04852	2.3
130.06619	1.0
136.47731	0.9
146.06090	2.5
147.04454	2.0
148.07661	10.5
164.07176	2.8
174.05594	15.1
192.06642	38.4
193.06998	1.8
218.04591	6.5
236.05615	59.5
237.05940	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	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98833	0.6
68.72161	0.2
69.78964	0.9
82.28741	0.2
116.76217	0.2
127.87752	0.1
134.03738	0.4
135.04507	0.5
136.05318	0.4
148.05293	7.0
149.06003	0.3
149.09680	0.7
162.06842	0.3
175.07587	0.5
176.08401	0.4
177.09195	34.7
178.09560	1.4
190.10019	1.3
191.10710	0.7
192.11543	27.8
193.11992	1.3
201.09143	0.5
203.07106	0.6
206.09361	0.3
217.08676	3.1
218.09456	6.9
219.09821	0.3
236.10513	100.0
237.10896	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	237.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
65.27659	0.3
69.29476	2.9
71.01379	18.3
87.89819	0.3
93.03417	0.3
109.24937	0.3
113.57178	0.3
115.00369	9.8
121.02950	100.0
122.03281	2.4
219.14001	0.4
224.08037	0.3
236.54405	0.3
237.04051	0.4
237.07782	0.5
237.15018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0713
Annotation	2',4'-Dihydroxychalcone
Peak:m/z	Relative Intensity
52.62395	0.5
59.01376	41.4
64.89223	0.6
65.03932	0.9
68.64761	0.5
70.66201	1.7
71.01385	1.4
84.55264	0.5
85.02946	1.4
87.00870	7.2
87.42402	0.5
89.02458	0.6
90.28704	0.5
91.01891	21.4
95.01397	0.8
96.96027	1.0
99.00865	2.0
101.02448	0.9
108.02125	0.7
109.02955	4.4
109.06620	0.6
111.35054	0.5
112.78117	0.6
117.01906	0.9
125.02397	0.7
135.00874	24.4
136.01221	0.7
139.03949	1.1
141.01877	1.2
146.32091	0.5
148.01660	6.2
153.01938	4.3
154.06340	2.2
159.02956	1.0
161.04561	6.3
167.08626	1.5
169.06583	1.5
177.03909	0.6
179.05598	37.6
180.00639	1.2
180.05823	0.8
193.06580	0.7
195.08139	3.9
195.13899	5.5
197.06058	14.3
224.04784	2.4
239.07118	100.0
240.07405	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	234.1498
Annotation	Huperzine W
Peak:m/z	Relative Intensity
54.31285	0.2
55.24218	0.2
59.01381	3.7
60.01696	0.5
61.09714	0.2
61.98821	0.4
63.40586	0.2
65.06405	0.2
69.22669	0.2
85.02931	0.2
94.03763	0.5
98.19826	0.3
119.01372	0.2
148.05258	0.4
149.04529	0.4
151.07616	0.2
161.98215	0.2
162.05556	0.3
163.00294	0.3
174.04895	0.5
178.29625	0.2
179.07082	0.6
191.07176	0.5
197.90337	0.3
204.14992	0.3
218.11867	2.0
219.12563	0.6
234.14967	100.0
235.06221	0.3
235.13663	0.2
235.15285	4.5
251.11594	2.7
254.28033	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0406
Annotation	3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid
Peak:m/z	Relative Intensity
53.22464	0.4
56.26248	0.4
59.01375	2.8
60.01717	1.0
61.31786	0.4
64.01921	0.5
64.49789	0.4
65.99837	0.6
71.58820	0.5
77.49779	0.4
87.49400	0.4
90.03478	2.4
94.52386	0.4
98.16238	0.4
105.11158	0.4
114.01934	0.4
115.02353	0.4
118.02986	17.3
118.03831	1.1
119.01350	0.6
119.03237	0.4
146.02475	10.9
147.03256	100.0
148.03622	2.6
162.01973	3.8
163.02718	0.6
164.03508	1.7
174.01953	40.8
175.02361	0.9
190.01448	14.1
191.02246	2.0
206.04474	0.5
232.81712	0.4
234.04048	97.7
234.15633	1.8
235.04388	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	234.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49170	0.3
59.01375	5.2
60.01704	0.8
71.01369	0.8
71.55564	0.5
84.72623	0.3
93.03455	1.0
94.03773	0.3
98.02471	1.7
101.02474	0.3
106.04229	1.1
108.02190	0.6
114.01971	1.7
119.05020	100.0
120.01253	0.5
120.05360	2.5
123.04537	0.3
128.03540	0.9
133.06592	1.2
146.06104	0.7
147.03185	0.3
150.05699	0.3
160.07651	0.5
162.05621	0.3
162.09238	2.3
173.04558	0.3
174.04909	0.5
176.04724	0.4
190.08708	0.7
191.07108	0.4
206.08185	0.4
211.56352	0.4
216.09502	0.6
223.62119	0.3
234.04216	0.5
234.07701	3.7
234.10707	1.3
234.15744	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	233.0929
Annotation	5-methoxy-L-tryptophan
Peak:m/z	Relative Intensity
54.49892	0.7
56.33012	0.7
57.03436	2.4
59.01376	89.8
60.43029	0.9
60.99288	1.3
62.45540	0.7
67.01871	2.8
68.61408	0.7
68.99793	3.0
69.03457	1.0
69.67725	1.1
69.68136	2.9
71.01062	0.9
71.01381	9.6
71.02636	0.7
72.99297	2.7
73.02921	3.4
75.00892	3.5
78.95875	0.8
80.43114	0.8
80.96534	0.7
83.01382	2.3
83.05033	1.1
83.41586	0.7
84.04544	1.0
85.02945	2.9
86.02454	3.7
87.00876	8.8
87.04517	0.9
88.04038	10.8
89.02424	2.0
92.04588	0.8
92.05054	7.4
93.03455	17.2
96.96005	7.6
98.19894	0.9
99.00883	5.9
100.04041	27.7
101.02437	3.5
111.00860	3.3
111.04499	1.6
115.00376	1.3
116.05041	0.9
117.01935	20.7
118.02959	1.8
119.04999	2.3
120.04533	1.0
129.01932	5.8
130.06592	3.1
131.03754	19.3
132.04553	39.8
132.99565	0.8
133.04773	0.8
143.12636	0.8
144.04549	25.8
144.10277	1.6
145.01450	1.2
145.04938	0.8
146.02383	0.8
146.06059	2.5
147.03159	0.8
149.04512	1.8
152.91774	0.9
155.06111	1.4
156.06865	3.0
157.01395	0.9
158.06119	19.9
160.03995	0.9
162.05389	0.9
171.09265	9.2
172.06384	3.3
172.88004	1.3
172.97636	0.8
173.00893	3.8
173.04530	18.8
173.08185	1.4
184.04012	4.2
187.02397	1.0
187.08730	4.6
188.98450	1.1
189.10353	6.6
190.08754	3.9
202.05052	5.0
204.06554	0.9
215.08328	2.8
216.06573	1.1
232.97493	1.3
233.09274	100.0
233.15453	30.5
234.07614	2.0
234.09712	3.5
234.15692	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.6
59.96727	0.4
60.97505	0.3
66.94316	0.2
67.01885	0.3
71.13268	0.3
74.99067	7.4
75.00894	0.7
75.96213	0.2
79.95004	0.2
88.79553	0.3
91.02233	0.5
93.00127	1.6
93.03441	2.2
96.96046	0.3
118.96210	1.3
134.99397	6.5
136.97337	1.6
141.07408	0.6
143.05313	1.0
149.00951	62.2
150.00880	2.2
150.98866	0.6
152.96877	0.4
159.08492	1.8
161.06386	2.9
173.04552	2.6
184.65385	0.2
190.98840	0.4
215.05684	1.4
217.07193	85.8
218.07326	5.0
233.10318	100.0
234.10480	5.6
235.08163	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65615	0.2
59.01377	9.0
64.68999	0.2
67.01892	0.3
70.02974	9.2
71.01374	0.5
71.58233	0.4
74.48376	0.2
87.92495	0.5
91.05533	0.6
93.03460	1.8
96.00921	0.2
96.99297	1.0
111.04534	0.4
114.01963	17.3
115.02324	0.5
117.03458	5.3
118.03808	0.5
134.06105	3.2
135.04524	4.2
146.06107	0.6
147.03256	2.7
160.04025	0.6
160.07689	0.5
161.04797	0.4
162.05597	100.0
163.05980	2.9
172.04028	0.3
173.04579	2.6
188.07121	1.7
226.95990	0.2
232.06194	1.1
232.13409	5.9
233.13541	0.3
233.15526	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	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.9
57.06773	1.6
59.01376	100.0
59.77076	1.6
60.40524	1.5
67.01883	5.0
70.39078	5.5
71.01379	48.8
72.99281	2.5
73.02949	7.8
83.01369	11.6
85.02952	7.6
89.02487	1.6
93.03448	5.0
95.80901	1.6
99.00878	24.1
101.02471	2.9
111.00874	18.2
111.01572	2.0
129.01942	23.5
129.03864	1.5
173.00885	4.8
173.04547	10.5
191.52856	1.6
233.10216	3.0
233.15425	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	231.1601
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
57.03440	1.2
57.33485	0.3
59.01373	1.2
59.01649	0.3
62.29183	0.3
62.48334	0.3
63.92134	0.3
71.01402	0.4
71.56627	0.4
98.66270	0.3
116.05063	0.3
124.56842	0.3
125.09671	0.3
127.11297	2.3
145.08659	0.6
148.00365	0.3
152.03519	1.4
155.14401	0.9
162.05675	0.8
171.10258	3.4
183.13852	0.5
185.15448	0.4
213.14948	4.9
229.14423	2.6
231.15993	100.0
232.16331	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	232.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72937	0.7
51.65109	0.7
51.86199	0.6
52.23666	0.8
54.72507	0.7
54.72778	0.8
59.18757	0.7
61.04634	0.8
70.02977	42.5
70.93496	1.7
71.03300	0.9
74.45206	0.7
85.38076	0.9
91.05530	6.8
93.99664	0.7
96.99318	8.9
101.99931	0.7
114.01968	100.0
115.02319	1.6
117.03461	25.0
117.04291	1.5
118.03735	0.8
118.06638	1.5
119.80729	0.7
134.06116	17.6
134.07074	1.2
144.08202	1.8
146.06120	3.7
152.64716	0.7
160.07672	2.3
188.07140	6.1
225.64664	0.7
232.06085	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	229.1557
Annotation	Val Ile
Peak:m/z	Relative Intensity
50.31031	0.8
57.03447	1.3
59.01365	1.6
66.03490	1.0
71.01360	1.5
71.56211	1.5
72.99869	0.8
73.02935	0.9
75.00873	1.2
85.02948	0.9
87.00874	1.2
95.05000	0.9
95.09645	0.8
99.00894	0.9
111.00923	0.8
112.98803	1.5
114.05585	1.6
114.09275	1.6
115.08782	5.4
130.08737	31.7
140.54274	1.1
146.06064	1.0
174.05627	2.1
185.16588	28.5
186.16985	1.5
202.05008	2.1
229.05171	1.5
229.10887	5.2
229.15576	100.0
230.04649	2.5
230.15907	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
56.72681	0.5
65.23557	0.6
68.39170	0.5
69.88337	2.4
86.43095	0.5
88.21709	0.6
105.32336	0.6
139.11269	0.8
165.12846	1.2
167.14398	39.0
168.14743	1.4
185.15390	1.1
200.41560	0.6
211.13376	64.0
212.13722	3.0
229.14423	100.0
230.14774	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	229.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
69.19124	1.8
69.19563	2.6
77.26130	0.4
78.88077	0.4
83.05038	0.5
85.02971	0.6
98.20614	0.8
102.23333	0.5
110.08415	0.4
123.22264	0.4
125.09731	2.1
127.11298	4.2
151.05829	0.4
155.14397	0.6
165.12866	0.7
167.14388	2.3
171.10268	3.3
183.13890	2.3
185.11824	2.1
193.12299	1.2
209.11797	3.0
211.13388	13.4
212.13626	0.5
229.14420	100.0
230.14748	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	229.1442
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.54367	0.2
57.03428	1.1
59.01373	0.6
62.70040	0.2
69.75290	1.2
69.90548	0.3
71.01398	0.3
71.05011	0.6
83.04982	0.3
84.02155	0.5
85.02940	0.8
97.06589	1.3
98.20551	0.4
123.08132	0.4
125.06068	1.8
125.09708	4.5
127.11280	4.3
129.29187	0.3
146.49184	0.2
155.14401	2.3
165.12819	1.3
167.14413	1.7
171.10301	0.4
183.13843	0.8
185.15431	0.4
209.11830	2.0
211.13365	3.3
229.14418	100.0
230.14734	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03449	1.3
59.01363	0.3
60.60143	0.2
61.39667	0.2
71.01402	0.3
71.05015	0.6
71.58104	0.2
83.05007	0.6
84.02167	0.3
85.02951	0.9
88.78172	0.2
97.06565	0.3
101.30422	0.2
125.06051	0.2
125.09718	2.6
127.11285	3.8
146.39771	0.2
155.14420	2.1
165.12794	0.6
167.10805	0.2
167.14441	1.4
171.10258	4.3
183.13887	1.6
185.05989	0.3
185.11809	3.4
185.15495	0.2
193.12373	0.5
197.11862	0.2
201.15062	0.2
203.14720	0.2
203.74171	0.2
209.11823	2.5
211.13387	13.5
212.13762	0.5
229.14420	100.0
230.14777	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	228.0512
Annotation	4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Peak:m/z	Relative Intensity
52.02063	0.5
57.03462	0.7
57.08452	0.7
59.01381	2.1
68.40379	0.6
69.03432	0.6
70.78461	0.6
71.01395	1.7
71.54935	0.6
77.96284	0.5
80.05058	2.3
81.03427	0.6
85.02968	0.8
92.05057	6.0
94.06616	20.9
96.04550	1.2
99.00862	1.6
99.92615	0.6
104.05064	0.7
107.03774	4.4
108.04560	3.3
110.06101	1.6
111.00870	1.2
112.98823	3.3
113.99126	1.0
120.04549	3.1
122.06117	100.0
123.06452	1.5
129.01915	1.0
138.05551	3.5
140.07121	3.1
152.03577	0.7
165.47047	0.6
166.05078	60.3
167.05449	1.5
174.01306	0.9
184.06120	9.9
192.02397	0.6
195.86740	0.6
210.04039	4.8
228.05107	36.2
229.05379	1.0
229.10811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51104	0.5
58.83899	0.5
59.01379	1.2
60.00262	0.5
60.08139	0.6
70.02972	0.8
71.01376	6.4
88.04037	100.0
89.04396	0.7
91.60388	0.5
96.99310	1.2
112.07684	2.1
113.06091	8.1
114.01958	6.7
115.00375	14.0
132.03021	62.9
133.03362	0.7
134.21133	0.6
184.09837	3.4
189.40678	0.5
210.07722	1.2
228.08742	24.9
229.14310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.0
68.51826	0.6
70.02984	0.8
70.67292	1.2
71.01382	8.3
72.00933	0.5
72.99319	4.9
73.99675	0.9
77.29818	0.5
88.04037	100.0
89.04404	0.8
96.99310	1.9
112.07676	3.1
113.06086	10.4
114.01955	7.9
115.00372	15.5
123.87511	0.5
130.08749	0.6
132.03021	64.8
133.03372	0.7
138.09192	0.7
143.11954	0.6
172.11154	0.6
184.09796	4.4
184.14240	0.7
193.08316	0.5
198.65576	0.5
210.07663	1.0
210.12085	0.6
228.08711	26.0
229.08943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1027
Annotation	Trietazine
Peak:m/z	Relative Intensity
58.15241	0.5
70.70390	1.4
71.01384	0.6
72.37522	0.5
85.07046	0.5
99.92576	1.1
147.03258	75.9
148.04059	12.3
156.08199	0.6
159.03241	1.1
160.04018	2.2
170.06146	0.8
170.26361	0.6
172.11299	1.6
173.04784	8.1
174.05502	0.8
180.04686	0.5
181.05307	1.1
182.06099	1.8
182.09741	0.6
184.14233	1.9
185.04805	19.5
186.05205	0.7
187.06303	2.3
194.06175	0.6
196.07697	0.6
198.05594	56.3
199.06308	7.4
200.10811	1.0
210.09232	2.1
211.09863	0.9
212.07112	2.4
213.07942	3.2
228.10272	100.0
229.10637	4.4
229.14397	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	227.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61668	0.5
58.02977	2.3
59.01367	1.5
65.09151	0.4
70.02979	6.4
71.01392	1.8
71.02492	2.0
71.56729	0.6
72.00926	2.2
72.99306	4.8
74.02454	0.9
83.01386	0.8
85.02979	1.0
87.00888	0.8
87.05637	1.7
88.04038	1.4
95.02517	4.9
95.05025	0.5
96.00915	1.9
97.06582	1.2
99.00879	1.7
99.92611	0.4
101.02460	0.6
107.74648	0.5
109.02878	0.5
109.06496	0.7
111.00883	1.4
111.02016	2.3
112.07705	1.2
112.98803	3.8
113.03569	42.2
113.06116	0.9
114.01965	25.6
114.03899	0.8
129.01932	0.9
131.04620	100.0
132.03032	0.7
132.04947	1.6
135.08253	0.5
137.02443	3.7
139.07643	1.2
152.04836	1.4
155.04599	0.9
159.68835	0.5
165.05406	0.6
165.09180	0.6
165.12872	1.4
167.07137	1.1
173.00890	0.7
173.41808	0.5
183.13864	7.8
183.15349	0.6
209.09323	4.9
209.11848	2.0
212.06870	3.2
226.99881	0.7
227.05414	2.4
227.09196	3.1
227.10355	5.2
227.12895	3.5
227.16504	1.0
227.20128	3.3
228.08684	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73952	0.1
57.03454	0.4
57.79544	0.1
59.01394	0.2
67.28330	0.1
69.45857	1.0
83.05016	0.2
85.88071	0.1
89.76302	0.1
111.08154	0.8
111.63418	0.1
131.63860	0.1
142.10674	0.1
153.13980	0.1
165.12837	20.3
166.13197	0.7
174.22879	0.1
183.13887	100.0
183.62357	0.1
184.14232	4.1
191.10861	0.3
209.11845	1.5
227.12866	21.9
228.13161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35775	0.4
69.48644	3.4
70.14812	0.4
85.07658	0.5
111.08107	0.8
123.57961	0.5
165.12840	20.8
166.13104	0.6
183.13887	100.0
184.14265	3.1
197.68605	0.5
209.11739	1.4
227.12872	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	225.1495
Annotation	Annuionone E
Peak:m/z	Relative Intensity
52.06410	0.3
52.99306	0.4
54.91060	0.4
58.19369	0.3
59.01376	4.3
61.98845	2.0
68.99819	0.6
71.01384	0.4
71.19308	0.7
81.03451	0.8
83.05036	1.2
93.03465	1.9
107.01872	0.4
109.06542	0.4
119.73637	0.4
137.02414	0.5
159.10222	0.5
163.14883	1.0
165.01935	0.5
169.12363	0.9
175.52931	0.4
181.12376	1.6
181.15871	0.6
189.12926	0.5
190.90714	0.5
195.13887	9.6
197.15486	3.9
207.10704	0.8
207.13882	22.9
208.14133	1.0
223.13452	0.4
225.00327	0.8
225.14944	100.0
225.92619	0.7
225.99728	0.4
226.15289	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	225.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.6
63.40932	0.2
64.78881	0.2
72.11274	0.2
79.95698	1.6
83.22608	0.2
95.95193	0.3
96.96002	100.0
98.19821	0.3
205.31377	0.2
225.07997	64.6
226.08330	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	225.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55975	0.2
58.26201	0.3
58.26463	0.2
65.49627	0.2
69.18039	2.5
69.90260	0.3
70.14133	0.2
70.30987	0.3
79.95689	1.3
96.96007	100.0
98.20603	0.6
101.87999	0.2
166.77640	0.3
174.04564	0.3
225.08008	62.1
226.08333	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	225.1132
Annotation	Stagonolide
Peak:m/z	Relative Intensity
50.33403	0.4
52.27166	0.4
54.42207	0.5
57.27722	0.4
57.58868	0.4
59.01372	2.5
61.98814	0.4
65.00333	0.5
67.10920	0.4
69.03476	0.4
70.70613	0.6
70.70940	0.9
71.05038	0.6
78.28889	0.4
79.07909	0.4
83.01421	0.4
83.05055	0.6
93.03478	1.9
95.05025	0.4
97.02944	7.9
99.00869	3.6
109.06585	2.7
110.03745	3.7
121.06631	0.7
123.04552	0.6
123.08162	0.5
125.09726	1.3
126.90582	0.6
135.08163	1.4
136.05296	1.8
137.02394	0.7
142.02715	3.9
151.07721	0.5
159.82803	0.4
161.09671	0.8
163.11284	11.0
165.01883	0.9
179.10768	0.8
181.01360	0.4
181.12335	29.5
182.12651	1.4
189.09302	0.6
195.03038	0.9
197.11838	1.3
206.99371	0.6
207.10249	65.1
207.60982	0.5
208.10567	3.1
214.98000	0.4
224.90543	0.5
225.11307	100.0
226.11647	5.0
234.44487	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0767
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
51.29044	1.4
57.67069	1.4
59.01377	6.6
64.49393	1.6
65.03951	2.1
67.01896	2.6
67.03896	1.5
68.99809	15.4
69.03460	2.3
70.41566	1.7
70.41870	2.9
71.01373	5.0
71.05006	3.0
75.00859	2.5
79.05534	4.4
79.63893	1.6
81.03453	2.7
83.05020	2.3
84.02155	3.0
91.05536	3.9
93.03445	15.5
93.07086	4.0
95.05006	6.3
96.96010	8.3
97.02908	2.2
97.06584	3.5
98.19922	2.3
99.04498	3.4
101.02486	2.5
101.16902	1.6
103.05528	5.1
105.07101	17.1
106.04234	7.4
107.05036	10.3
108.02166	9.0
109.02945	2.8
109.06558	8.9
110.03754	2.2
119.05012	8.7
120.05811	43.3
121.02956	12.1
121.06585	62.4
121.08976	1.6
122.06941	2.5
123.04491	2.1
123.08159	25.6
131.05013	7.8
133.06586	6.1
134.03722	8.1
135.04509	5.3
135.08162	29.3
136.05342	3.0
137.02429	10.0
137.06091	13.2
137.09695	4.6
138.06851	3.8
139.07651	3.7
147.04536	5.1
149.06068	61.8
151.07619	9.8
153.09218	3.7
154.23297	1.6
163.07648	6.6
163.11224	4.1
165.01913	2.4
165.05528	9.0
166.06335	34.1
175.03952	2.7
179.07115	5.7
180.04218	2.6
181.05132	2.9
181.08691	76.8
181.12224	12.1
193.05034	10.5
195.03032	2.7
195.06651	2.3
207.06630	2.9
207.10234	5.2
210.05295	13.9
225.00404	3.7
225.07684	100.0
225.11078	16.8
226.07985	2.9
249.90024	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1338
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
54.32389	0.6
54.36097	0.8
59.01105	1.1
59.01377	15.8
65.08557	0.6
69.03448	5.3
70.31947	2.0
71.01389	0.9
71.05003	1.9
83.05039	1.1
85.06558	1.0
95.05025	0.8
101.02436	1.6
102.25159	0.7
109.06598	1.3
119.59021	0.8
120.10619	0.6
143.72998	0.7
149.09674	0.9
161.13344	0.7
163.06119	2.4
166.06197	0.8
167.10782	7.8
177.12798	1.3
179.10779	3.1
179.14360	8.7
195.13879	23.4
196.14182	1.1
205.12323	19.2
206.12589	1.0
223.02873	1.0
223.13371	100.0
224.13657	6.1
233.41545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0768
Annotation	Speciosin F
Peak:m/z	Relative Intensity
51.56654	1.2
59.01387	6.7
64.36427	1.4
68.99820	1.5
69.78716	8.3
71.01355	1.5
84.05742	1.3
91.01889	2.4
93.03460	15.5
96.96007	3.3
101.02436	2.2
106.04231	8.3
107.04292	2.9
107.05030	60.5
108.02171	7.8
109.02970	2.4
109.06573	1.8
119.04996	4.1
121.02949	20.4
121.06573	1.5
122.88449	1.4
123.04539	2.2
125.02413	1.4
127.37354	1.7
133.02910	2.5
135.04561	9.6
137.02448	6.2
138.03189	2.7
151.03954	1.6
163.03990	16.5
163.11226	1.8
165.01894	1.6
179.03477	10.7
179.05579	1.8
179.07059	2.6
180.04198	1.9
181.05074	17.6
181.12251	2.4
195.03036	3.5
195.06587	2.6
207.06659	1.6
207.10214	4.3
210.05359	5.3
217.39168	1.5
225.00479	2.9
225.03973	4.7
225.07672	100.0
225.11003	12.0
225.14804	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	223.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.0
57.03442	21.0
57.21241	1.2
59.01376	14.1
60.49071	1.3
68.99837	2.7
70.71169	1.9
70.71503	3.1
71.01375	21.0
71.35756	1.6
72.99296	7.6
73.02930	4.1
74.34859	1.2
74.35292	1.2
75.00871	7.4
75.08533	1.2
78.00066	1.2
78.47593	1.2
81.03448	1.5
83.01381	17.5
84.02170	1.8
85.02944	100.0
87.00871	7.0
89.02410	2.3
99.00871	7.5
101.02445	12.4
103.00357	2.2
103.04025	2.4
110.73920	1.6
111.00874	52.2
112.98787	14.9
113.02375	1.4
119.05048	7.7
125.02435	5.9
126.07044	1.5
129.01933	37.7
135.01173	2.0
143.03488	2.7
147.02995	12.3
149.04570	9.0
161.04570	2.3
163.04027	2.3
173.00935	1.5
174.74054	1.4
181.05042	2.6
187.02399	2.6
203.93393	1.4
205.03519	48.6
223.04570	57.9
224.05005	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	223.0609
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
59.01375	15.5
59.23903	0.8
67.01881	1.1
70.86337	1.4
70.86653	0.8
72.29597	0.8
85.02964	1.3
90.12654	0.9
93.03462	11.0
96.95981	1.3
101.02422	1.9
109.02979	1.0
110.90014	0.9
121.02950	24.3
122.03225	0.9
123.04525	0.8
135.04526	10.4
136.01630	1.0
137.02412	1.9
149.02434	58.5
150.02763	2.0
151.04019	1.9
152.01140	17.9
163.04008	16.5
163.06099	2.5
164.04793	38.4
165.01933	11.8
165.04985	1.2
167.03525	3.4
169.05058	6.8
179.07121	14.0
180.07526	1.3
193.01407	67.5
194.01704	1.9
207.02971	2.0
208.03754	100.0
209.04085	3.6
223.06104	64.2
223.13324	3.1
224.06483	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	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27433	0.5
53.37059	0.6
55.01866	0.9
57.03431	1.9
59.01372	3.3
62.06960	0.5
66.94386	0.6
67.95721	0.5
70.30804	0.5
70.67797	0.7
70.68144	1.2
71.01377	7.5
72.99306	1.2
73.02942	6.8
75.00874	1.7
78.65627	0.7
83.01376	2.0
84.85157	0.5
85.02943	13.4
87.00886	4.3
89.02444	32.3
92.95976	0.7
99.00896	0.5
101.02437	1.6
103.04009	3.2
110.74337	0.5
111.00880	5.9
111.98746	0.6
119.89656	0.5
124.79104	0.5
125.02440	0.9
129.01971	5.3
131.03517	7.9
132.95486	0.5
147.03001	2.0
147.04919	0.8
149.04553	100.0
150.04921	2.1
165.04025	1.5
194.09004	0.5
200.00386	0.6
204.97508	0.8
205.03500	6.6
223.04578	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	223.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.4
56.62894	1.2
57.03448	21.5
59.01376	18.8
63.89073	1.2
64.83976	1.0
67.01925	1.1
68.99805	1.8
70.97180	2.4
70.97523	1.2
71.01378	20.0
72.99312	8.8
73.02923	5.4
75.00871	7.2
81.03456	2.3
83.01381	15.7
84.02171	4.3
85.02949	100.0
87.00868	7.1
87.02771	1.1
89.02425	3.6
99.00866	7.8
101.02439	13.3
103.00336	1.3
111.00880	51.0
112.98819	15.0
113.02407	1.2
117.86601	1.1
125.02443	6.6
129.01936	38.4
130.02295	1.3
135.04745	2.3
143.03514	3.1
147.03012	11.1
149.04539	12.2
150.04784	1.1
161.04523	2.8
187.02414	3.3
205.03525	48.1
223.04570	61.3
224.04909	1.9
241.30872	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1032
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
52.14117	0.4
54.57058	0.4
59.01377	3.0
69.79375	2.3
71.01003	0.8
71.01377	10.2
71.01768	0.6
71.05017	15.9
72.00903	0.7
75.00872	1.5
88.04037	100.0
88.84747	0.4
89.04351	1.1
99.04514	6.5
116.07184	2.6
118.02979	0.7
129.05630	1.1
129.26553	0.5
130.21140	0.5
146.02473	1.4
146.08228	46.0
147.08630	0.5
151.30475	0.4
174.01958	2.0
218.00743	0.8
218.10312	31.2
219.10619	0.6
219.17531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.8
57.03443	14.6
59.01377	39.3
60.99298	3.1
68.99814	14.3
69.03452	6.1
69.81080	11.0
71.01379	57.9
72.00917	3.5
72.99305	30.5
73.02954	6.6
74.02465	5.6
75.00858	11.1
83.01397	5.5
83.05012	4.7
85.02946	27.2
87.00869	28.0
88.04032	14.5
89.04405	2.1
96.00944	3.4
96.04576	3.1
97.02959	12.4
99.00884	100.0
101.02432	11.1
103.80895	2.4
104.03553	7.6
111.00880	7.9
111.04541	3.3
113.02482	5.4
114.01945	2.6
115.00334	11.8
115.03976	3.3
117.01939	4.5
129.01921	22.4
130.99863	8.9
132.03001	3.9
133.01395	3.8
140.03513	2.6
142.99846	23.3
145.01402	7.1
157.01450	7.0
175.02441	2.6
181.07298	2.5
201.09520	3.4
204.33009	2.1
219.04938	16.2
219.06856	2.4
219.10695	2.6
219.17519	16.6
220.02631	2.3
220.08273	3.2
223.76221	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	219.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79285	0.2
55.01884	0.2
57.03445	0.2
59.01372	1.9
60.99273	0.2
61.98832	0.6
64.02220	0.2
69.03429	0.2
70.32866	0.4
70.33200	0.3
71.01385	0.8
72.99313	0.9
74.02482	0.5
74.77898	0.2
75.00877	0.5
82.02997	0.2
83.01405	0.3
83.05042	0.2
85.02940	0.7
86.02472	0.9
87.00876	0.8
88.04031	2.4
92.05044	1.2
98.20616	0.3
99.00879	1.2
101.02459	0.2
103.00388	0.7
105.00186	0.3
115.00362	0.9
116.05036	0.3
118.06811	0.2
119.06139	0.3
120.04559	0.4
128.05051	0.5
129.05605	0.4
130.06590	2.2
131.03758	1.1
132.03036	1.0
132.04530	1.2
133.01424	0.4
134.06113	0.8
139.03972	0.3
141.04541	0.5
144.04570	1.4
146.04871	2.3
147.03146	0.3
147.08629	0.3
157.07697	100.0
158.06117	0.5
158.08078	2.7
160.04007	0.4
162.05606	0.2
175.08765	2.6
186.98793	0.3
188.03471	0.3
201.06696	3.7
219.01407	0.3
219.07721	14.4
219.17511	2.6
220.02945	0.4
220.06094	0.7
220.07928	0.6
220.17677	0.2
222.19350	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0817
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
56.61646	1.6
59.01380	100.0
61.06769	1.3
71.01369	5.4
71.05019	51.2
71.55882	1.6
73.02945	9.2
85.02953	2.1
89.02453	1.7
93.03452	2.2
99.91265	1.5
101.02383	3.6
107.05025	5.1
113.02442	3.4
121.02953	36.5
125.84103	1.4
127.49432	1.5
134.02718	3.5
134.03738	68.0
135.04175	1.9
147.00871	12.0
147.08246	1.4
149.09708	10.9
160.36787	1.6
161.04565	6.9
165.01810	1.8
177.09203	16.9
190.64856	1.8
190.99759	2.9
221.08192	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	42.1
69.76556	21.7
71.01361	26.5
72.04527	4.0
72.99297	8.2
78.95906	9.0
79.38452	4.2
87.00870	100.0
87.01380	7.1
89.02442	24.7
96.96961	3.8
97.06577	15.6
98.02481	4.5
99.00878	14.1
100.04028	5.2
109.06564	10.5
110.61573	3.6
113.02399	3.8
115.00358	42.1
117.01926	9.9
131.08209	4.3
142.99858	12.0
161.00920	52.7
172.99397	3.6
196.98601	4.5
215.00984	27.8
215.03267	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.3
58.02971	1.5
59.01363	0.6
66.03484	0.2
70.93098	0.2
70.93423	0.4
71.01384	0.4
72.00905	2.6
72.04553	0.7
72.99307	0.3
74.02473	8.1
82.02979	8.9
82.06616	1.3
84.04545	17.9
85.02945	0.5
86.02471	3.2
96.88954	0.3
98.02459	0.9
101.02554	0.2
101.07187	1.0
109.04071	0.3
110.02445	0.6
110.09676	0.3
114.09251	0.6
116.03538	1.2
127.05166	1.5
128.03535	14.5
128.10820	2.9
140.10838	1.2
141.10326	6.9
141.11420	0.4
142.12372	1.5
143.12730	1.2
144.00891	1.1
153.09224	0.4
154.12355	1.5
167.11887	4.9
168.08997	0.6
168.10268	0.6
169.10776	0.4
169.13443	7.0
171.10286	0.3
171.12386	0.3
171.15027	9.1
172.15453	0.3
183.84256	0.2
193.53577	0.3
195.11380	1.7
197.12939	71.2
198.13301	2.1
215.00989	8.2
215.13985	100.0
216.01324	0.5
216.14322	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	215.1399
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
51.20033	0.9
58.02976	1.3
65.18230	0.8
65.95921	0.8
69.19192	1.8
69.19610	6.8
72.00894	2.8
74.02472	6.6
82.02975	8.3
82.06612	1.2
84.04539	15.1
86.02470	3.4
98.02493	1.0
101.07207	1.0
108.56609	1.0
116.03506	1.2
124.11049	0.7
125.47350	0.8
127.05145	2.0
128.03546	13.0
128.10796	2.2
139.11546	0.8
141.10313	6.2
142.12422	0.9
146.90672	0.8
154.12329	1.8
167.11909	4.6
169.13448	6.4
171.15005	8.4
195.11374	1.6
197.12938	65.8
198.13242	1.9
215.00974	2.0
215.13979	100.0
216.14235	2.6
220.38994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0981
Annotation	Abrine
Peak:m/z	Relative Intensity
54.43063	0.8
59.01378	8.0
71.11584	1.7
72.00885	1.0
74.03048	0.7
84.29755	0.8
86.02474	21.1
87.28949	0.8
88.04037	46.7
89.04370	1.4
96.95991	1.7
100.07672	1.0
103.38142	0.9
116.05057	100.0
117.05401	3.4
129.05827	1.2
130.06625	2.3
142.06609	24.8
143.06937	1.3
157.13353	0.8
161.04807	1.6
173.10829	0.9
174.99159	1.7
186.05618	7.1
217.00264	2.0
217.09802	97.1
218.10136	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	213.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60278	0.4
59.01365	0.6
69.29559	3.4
98.20586	0.7
134.60278	0.4
167.14407	1.3
183.13890	5.2
193.21089	0.4
195.13890	14.9
196.14148	0.5
211.13382	1.5
213.14946	100.0
214.15294	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	214.1084
Annotation	(-)-Monascumic acid
Peak:m/z	Relative Intensity
51.52923	0.7
55.01863	1.0
56.75675	0.7
57.03448	3.2
62.86269	0.7
63.08445	0.7
63.29446	0.7
70.93281	1.9
72.00912	0.9
72.04544	29.0
74.02458	1.2
82.02979	2.0
82.06631	1.9
83.01363	1.8
84.04542	2.5
86.02491	1.0
89.58916	0.7
97.45129	0.7
101.89190	0.7
120.92664	0.8
128.03523	1.8
130.73581	0.7
140.10812	7.0
141.10320	1.2
142.12364	100.0
143.12694	1.9
154.12199	0.9
168.10283	55.8
169.10626	1.8
170.11853	48.6
170.83748	0.7
171.12218	1.1
171.15059	2.1
186.11351	1.2
197.12943	8.9
202.50424	0.8
214.10822	57.3
215.00928	1.7
215.11148	1.4
215.13983	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81551	0.7
57.03448	3.8
57.44750	0.7
58.02970	0.8
59.01371	0.9
61.98802	0.9
65.27953	0.7
66.03475	1.0
69.02415	0.8
69.81646	3.6
72.04549	26.1
82.02988	1.3
82.06622	1.9
83.01370	2.7
84.04539	1.6
90.91083	0.7
108.02172	1.1
140.10808	7.0
142.12369	100.0
143.12682	2.6
144.00922	1.3
152.01193	1.3
152.10820	0.8
163.45821	0.7
168.10289	53.0
169.10545	1.2
170.11858	53.5
171.12193	1.0
176.27649	0.8
186.11343	1.0
197.12904	4.3
207.93906	0.8
214.10826	58.2
214.15202	2.5
215.01007	12.8
215.11107	1.0
215.14003	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	215.0197
Annotation	4-Carboxy-2-hydroxy-6-methoxy-6-oxohexa-2,4-dienoate
Peak:m/z	Relative Intensity
55.01878	28.7
57.03450	1.3
58.09754	0.8
59.01364	3.0
67.01893	3.0
69.03448	1.1
71.01376	8.3
71.55193	1.5
72.99300	1.4
82.03008	0.9
83.01383	100.0
84.01706	1.3
85.02940	1.5
87.00854	2.4
95.05005	0.9
97.06593	13.4
98.00092	6.2
98.03697	1.2
98.29128	0.9
99.00871	11.2
107.04996	1.0
109.06004	0.9
109.06596	10.4
111.00878	18.8
111.04496	1.6
113.02428	1.4
115.04008	4.5
123.04509	2.4
124.98766	1.1
125.02450	6.8
125.06017	1.5
127.07656	4.5
129.01929	1.3
133.01430	0.8
135.04523	2.6
136.07655	1.1
139.00368	10.8
143.03500	42.1
144.00880	3.3
144.02928	1.6
144.03925	1.1
153.05557	2.7
156.00659	6.4
156.77893	0.9
169.01360	1.5
171.06610	2.1
187.99603	4.4
197.04584	1.5
215.01053	16.0
215.01802	15.1
215.05441	1.9
215.12682	1.2
216.01233	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1338
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.24979	0.3
59.01364	0.4
69.03437	0.6
70.45654	0.3
70.93776	0.5
70.94112	0.7
74.65098	0.3
81.54993	0.3
83.05013	0.4
140.42740	0.4
165.12779	0.5
166.91118	0.4
167.14429	1.3
183.13890	12.7
193.12329	3.1
211.13387	100.0
212.13763	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	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89584	0.3
59.01359	0.7
61.98816	0.4
62.72906	0.3
69.03439	0.8
70.57153	1.0
92.25653	0.3
107.12379	0.3
155.10796	0.4
165.12796	0.4
167.10782	0.7
167.14430	1.4
183.13899	12.6
184.14243	0.4
190.86877	0.4
193.12285	3.4
201.06752	0.4
211.13380	100.0
212.13750	3.5
219.61137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1131
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
53.42477	0.3
57.03456	0.5
59.01390	0.6
61.24195	0.4
69.03448	0.4
70.10149	0.7
70.10497	1.4
84.84769	0.4
97.06577	0.8
98.20565	0.6
109.67828	0.4
117.81670	0.4
117.92714	0.4
151.10094	0.9
151.11278	13.5
168.98941	1.6
169.12335	100.0
170.12714	3.0
183.13870	0.9
195.10231	1.2
195.13881	0.9
196.49106	0.5
197.99197	0.6
213.01675	0.6
213.11316	17.1
213.14891	4.0
213.18552	0.7
214.11632	0.9
227.28290	0.4
234.03452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1495
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
71.56074	0.4
112.74388	0.2
177.12863	0.6
183.13882	24.1
184.14252	0.8
195.13884	20.7
196.14285	0.6
211.13376	0.7
213.14940	100.0
214.15283	3.9
230.83244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0853
Annotation	octyl hydrogen sulfate
Peak:m/z	Relative Intensity
52.04411	0.2
57.03439	0.3
59.01366	1.1
69.03451	0.2
70.69670	0.5
71.01382	0.3
78.91866	0.2
79.95728	1.3
80.61249	0.2
83.05020	0.3
92.99824	0.3
93.03465	0.8
94.03008	0.2
95.01428	0.2
95.05024	0.2
95.95262	0.2
96.84049	0.1
96.96009	100.0
97.06590	0.3
97.95953	0.3
99.00859	0.2
111.08137	0.4
118.94188	0.2
120.02180	0.3
121.02956	16.6
122.03294	0.4
123.08165	0.3
124.04055	0.8
127.51443	0.2
135.04541	0.5
136.01666	0.3
137.02400	0.3
137.06105	0.4
137.09692	0.3
138.45508	0.1
149.02412	0.2
151.03989	0.2
151.07628	0.2
151.30795	0.2
161.02481	0.2
164.94026	0.2
165.01929	0.2
165.05586	0.2
165.12828	2.0
166.13199	0.2
167.03468	0.3
176.04817	0.2
179.03487	0.4
191.10751	0.2
194.02217	0.4
194.05968	0.3
207.13873	0.3
209.04547	3.3
209.08521	48.4
209.11801	3.5
209.15213	1.1
210.08913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14581	0.4
51.33485	0.4
57.03442	2.3
59.01376	100.0
65.75746	0.4
69.76665	2.2
70.94578	0.4
81.03454	1.4
90.29258	0.4
93.10145	0.4
96.91917	0.4
97.06580	2.5
97.28767	0.4
97.74924	0.5
109.06590	2.3
110.56362	0.5
112.74300	0.4
121.02950	7.0
124.04009	0.6
149.09694	0.6
163.11458	0.5
165.12817	4.1
188.90660	0.4
209.04549	1.5
209.11795	16.5
210.12137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0406
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
51.38398	0.4
52.90605	0.3
54.82348	0.4
59.01368	0.4
61.38254	0.3
61.98835	0.4
64.01932	0.7
70.87995	1.1
77.03958	0.7
77.16091	0.4
94.03015	0.5
103.04253	2.2
104.05056	32.6
105.05386	0.9
108.49199	0.4
113.99538	0.4
120.04552	5.2
122.06142	1.1
124.04016	1.2
129.05550	0.6
137.46063	0.4
145.34865	0.4
148.04034	54.2
149.04337	1.6
166.05077	100.0
166.91045	0.5
167.05392	2.8
172.83301	0.5
210.04042	15.1
210.11861	0.5
211.06099	0.4
211.13339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
57.03445	75.8
59.01376	63.3
65.00311	1.0
67.01910	1.5
69.03453	6.6
69.46806	6.4
70.55022	0.9
71.01385	6.1
71.05010	3.3
72.53252	1.2
72.99300	1.1
73.02945	1.4
74.52810	1.0
75.00886	4.5
75.65932	0.9
75.74189	1.0
81.03455	0.9
81.97240	1.0
83.01382	1.0
83.05000	1.1
85.02937	6.7
87.00840	1.5
89.02406	1.2
90.17242	1.1
91.01888	2.2
91.50066	1.0
93.03438	1.3
95.05009	3.5
95.96030	1.1
97.02962	2.5
99.00885	3.3
101.02443	3.7
106.04208	1.2
107.04988	1.1
109.06585	11.2
111.00851	1.0
111.08154	1.8
117.01962	1.3
119.05067	1.1
121.02926	1.1
121.06590	3.2
123.04528	2.5
123.08147	1.2
129.01939	18.4
133.06580	4.1
135.00888	2.6
135.04558	2.1
137.09727	20.3
139.07634	6.1
147.00978	1.0
147.02971	9.4
147.04503	1.6
149.02411	3.3
149.09715	4.1
151.07622	2.3
163.00331	2.1
163.04027	1.7
163.06201	1.1
163.07620	2.8
163.11369	2.3
165.12831	3.4
166.15190	1.1
177.01921	20.5
177.12794	1.1
178.99832	3.3
189.12840	4.4
192.00665	1.7
192.04288	21.5
192.11557	47.5
193.04608	1.2
206.99370	1.4
207.02998	3.0
207.04987	4.1
207.06689	14.0
207.08543	2.3
207.13878	100.0
208.14209	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	209.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
57.03447	23.3
59.01378	20.4
60.15084	0.9
67.01901	1.8
68.99835	1.5
69.96098	5.2
71.01382	22.1
72.99293	6.2
73.02947	2.9
75.00872	19.0
78.95900	2.7
83.01366	6.4
84.02171	1.7
84.56533	1.1
85.02948	61.0
86.03278	1.3
87.00873	76.2
87.31168	1.0
88.62714	1.0
88.71863	1.2
89.02441	8.4
90.03130	1.0
93.03460	1.0
96.96007	3.6
99.00887	11.0
100.98819	7.1
101.02441	5.1
104.05104	2.7
109.27518	1.1
111.00854	10.5
112.98814	23.9
115.00389	3.2
118.99838	7.5
121.02950	3.0
124.98820	4.1
125.73901	1.0
129.01944	28.4
130.32523	1.1
133.01439	5.4
142.99855	100.0
144.00182	2.8
147.03001	12.3
148.04054	3.7
149.04544	1.5
159.02991	2.1
165.01892	1.1
165.04076	11.0
165.05444	1.8
166.05066	12.3
173.00887	28.0
186.56252	1.1
191.01978	14.2
208.98613	2.2
209.03015	13.9
209.04601	1.4
209.06610	23.8
210.04066	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	206.082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	33.3
59.01345	1.0
66.67127	0.9
69.52460	5.3
70.02972	14.0
72.00901	4.9
78.04442	1.0
91.05531	13.1
103.05500	1.9
119.36536	0.8
124.78303	1.0
147.04517	35.2
148.04865	1.7
164.07155	100.0
165.07436	2.9
172.94707	0.9
206.08214	43.8
207.08519	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	207.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
57.03448	78.7
59.01378	52.5
60.04354	1.3
69.03458	5.5
70.51102	0.9
70.88815	2.3
71.01378	5.6
71.05022	1.7
75.00871	5.6
81.03448	0.9
83.04971	1.1
85.02941	5.7
93.03461	1.5
94.25742	0.9
95.05031	2.8
97.02938	3.3
99.00894	1.7
101.02435	2.2
109.06590	12.9
111.08179	1.2
121.06583	3.9
122.02379	1.2
123.04511	1.8
123.08149	1.9
129.01935	16.5
133.06580	3.6
135.00856	1.4
135.04529	1.0
137.09732	21.7
139.07623	5.3
147.02974	8.5
147.04082	1.1
147.04424	1.0
149.02460	2.8
149.09732	3.9
151.07652	2.5
151.11272	1.3
163.00407	2.0
163.03944	1.0
163.06012	1.0
163.07632	1.8
163.11319	2.0
165.07516	1.7
165.12817	2.9
176.03362	1.0
177.01920	14.0
178.99860	3.2
182.85675	0.9
189.12862	3.7
192.04306	16.4
192.11559	42.7
193.11835	2.2
206.99396	1.4
207.03096	1.7
207.05078	2.7
207.06757	6.8
207.13893	100.0
208.14203	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	12.5
57.03446	19.2
59.01374	79.4
60.99289	5.3
67.01894	6.0
68.99814	12.1
70.15640	11.7
71.01380	100.0
72.98891	4.7
72.99306	81.0
73.02943	13.7
75.00870	49.5
83.01387	23.8
85.02973	15.7
87.00875	36.4
88.98805	3.0
89.02429	17.3
99.00888	64.6
100.98785	4.8
101.02432	16.5
103.00392	5.9
111.00881	30.2
112.98061	6.4
112.98812	78.4
115.00370	95.4
117.01948	14.1
124.98805	9.6
125.02467	6.1
127.00355	10.4
128.14247	3.2
129.01944	38.2
133.01427	6.6
142.99858	25.0
145.01413	25.3
154.99849	8.8
173.00876	8.7
175.02475	7.5
205.03468	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	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01377	1.2
61.98827	0.3
71.01375	0.5
71.01798	0.1
71.54966	0.2
72.99301	0.2
75.00864	0.2
85.02918	0.3
87.00885	0.2
89.99871	0.1
93.30605	0.2
99.00842	0.2
115.00349	0.5
117.03483	0.3
133.02919	0.1
138.88722	0.1
161.02495	0.2
161.06149	0.3
162.89304	0.1
171.66635	0.1
189.12863	1.3
205.15958	100.0
206.16316	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	206.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	34.2
59.01365	0.7
69.18834	4.7
69.19241	1.1
70.02975	12.1
70.03333	1.1
72.00903	4.8
81.98210	0.6
88.04060	0.7
88.06625	0.6
90.76311	0.7
91.05528	14.9
93.54990	0.5
98.89784	0.6
103.05544	1.4
112.12195	0.6
142.77275	0.6
147.04510	34.6
148.04854	0.9
162.09201	0.7
164.07155	100.0
165.07477	2.9
198.34381	0.7
206.08199	43.7
207.08511	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	206.0821
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02973	29.3
69.25643	2.7
69.26069	4.3
70.02969	11.1
72.00895	4.4
72.15989	0.7
72.29773	0.7
91.05528	13.7
103.05539	1.3
111.45785	0.8
135.04529	1.1
147.04506	35.6
151.57381	0.7
155.10817	0.7
162.09294	1.4
163.18510	0.9
164.07150	100.0
165.07460	2.7
206.08200	49.0
207.08498	2.0
228.04196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46550	0.1
59.01377	13.5
60.01712	5.1
61.01798	1.5
61.98827	100.0
62.02137	0.2
64.43653	0.1
70.11996	0.4
71.01379	0.3
78.12437	0.1
81.90419	0.1
87.00881	0.1
99.00898	0.1
115.00382	0.3
139.19217	0.1
142.40561	0.1
143.86526	0.6
160.03641	0.7
160.57817	0.1
161.01186	0.2
162.01692	0.4
194.93588	0.1
203.99992	1.1
204.02779	3.0
205.02907	0.2
205.04980	0.1
205.12343	0.2
205.15994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.03
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
50.20720	0.2
59.01368	0.7
67.40207	0.2
69.90012	1.2
71.01377	0.4
72.99299	0.4
75.00871	0.2
99.00862	0.2
109.13390	0.3
115.00388	0.6
118.02982	2.9
131.03754	1.5
132.04547	7.7
133.04886	0.4
159.03253	27.0
160.04031	100.0
161.04388	2.8
175.02785	1.2
175.06364	0.6
204.03001	6.8
204.06558	0.3
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	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
52.12607	1.8
55.01877	9.1
57.03439	8.9
59.01376	78.4
60.99298	2.0
67.01879	3.6
67.96716	1.7
68.99802	11.0
71.01376	88.7
71.05019	6.5
71.55434	3.2
72.99304	50.6
73.02944	13.7
75.00866	41.8
81.03445	6.4
83.01385	19.7
84.99319	1.9
85.02956	13.9
87.00871	57.7
88.98795	3.0
89.02460	7.0
94.06149	2.2
96.99308	7.0
99.00871	45.6
99.04529	6.9
100.55266	2.0
100.98771	3.5
101.02427	16.6
103.00391	7.3
111.00877	30.7
112.98801	34.7
112.99512	3.5
114.01970	2.9
115.00365	100.0
115.03999	2.4
117.01955	15.8
124.98774	14.5
125.02433	41.4
127.00369	9.5
129.01923	17.5
131.03601	3.2
131.04599	7.3
133.01469	2.6
142.99860	28.1
143.03474	3.6
143.07109	4.0
145.01416	22.3
145.05049	2.5
154.99825	13.8
157.01393	2.4
161.04419	2.4
169.01495	3.0
173.00905	8.1
175.02458	8.6
187.02428	3.9
205.03516	21.6
205.07126	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	202.0873
Annotation	3-Indolebutyric acid
Peak:m/z	Relative Intensity
53.97360	0.1
54.46812	0.1
59.01376	4.6
60.01710	0.2
61.98835	0.3
66.03478	0.3
68.89428	0.1
69.42455	1.1
71.01360	0.2
85.02962	0.4
90.30301	0.1
99.00864	0.3
99.92583	0.6
103.92029	0.5
104.97748	0.6
116.05061	100.0
116.92891	0.3
117.01926	0.3
117.05398	2.2
127.86669	0.2
141.93628	0.7
159.89368	0.2
163.04712	0.1
164.83604	1.5
166.83273	0.7
189.37714	0.1
197.20741	0.2
201.80170	0.7
202.02806	0.2
202.08716	5.6
202.94102	0.6
203.03387	0.2
203.09085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0825
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
52.18901	0.6
59.01378	2.4
60.49176	0.7
61.08363	0.6
68.00280	0.6
69.51215	0.7
71.01383	0.9
71.48981	1.0
72.00910	27.1
72.25008	0.7
74.02471	32.4
99.46179	0.7
103.92001	0.7
107.56218	0.7
112.98759	0.8
116.05061	100.0
117.05399	2.4
130.06618	2.8
131.03455	0.8
132.08142	0.7
142.06618	27.0
143.06979	1.1
157.07674	1.2
159.09262	21.6
159.10559	1.4
160.09583	0.9
161.04842	1.5
186.05554	3.8
203.08264	72.3
204.08563	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	201.1243
Annotation	L-Leucyl-L-alanine
Peak:m/z	Relative Intensity
58.02961	1.1
59.01374	7.4
69.70126	3.8
72.00900	2.9
72.79626	0.6
74.02470	9.1
82.02976	7.9
84.04539	19.4
85.02919	0.7
86.02471	5.0
95.34087	0.6
98.19969	1.1
114.09219	4.8
121.37273	0.7
126.09253	1.6
127.08760	7.0
128.03528	17.3
128.10822	2.7
129.10341	0.7
129.11171	1.8
140.10803	2.0
153.10304	4.1
154.08743	1.0
155.11897	6.4
157.10635	1.2
157.13443	11.4
157.14665	1.1
158.06062	1.0
171.45265	0.6
181.09772	2.0
183.11369	71.6
184.11662	2.0
201.02444	0.8
201.12442	100.0
202.08752	1.2
202.12724	1.9
216.09335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.0
57.03439	3.6
58.02958	3.8
58.48869	1.0
59.01377	10.1
66.03477	2.1
68.05053	2.1
69.03441	8.1
69.69228	6.8
70.02972	13.9
70.47836	1.1
71.01376	30.8
72.99311	4.5
73.02946	3.0
74.02470	61.0
75.00882	2.9
78.95896	2.3
81.02196	3.1
82.02975	9.0
83.01389	4.4
84.00894	7.4
84.04537	2.5
85.02945	27.3
85.03457	1.6
86.00085	2.2
86.02476	4.2
86.06111	30.4
87.00869	3.2
87.04507	24.3
87.92538	1.4
88.04034	53.5
94.02981	2.0
95.04995	1.5
96.00907	4.9
96.04546	42.9
96.05175	2.1
96.96961	3.5
96.99316	2.4
97.02945	11.1
98.02477	15.7
98.06119	1.1
99.00866	6.2
100.01651	1.6
100.04020	9.3
101.02429	3.9
103.92022	19.4
104.92044	2.5
104.97749	2.3
105.01935	2.6
110.02473	9.5
112.04037	19.2
113.02440	5.3
113.03560	1.2
114.01965	28.4
114.05594	3.4
115.00375	5.6
115.03999	5.3
115.07679	1.4
116.07157	7.1
125.02464	1.8
127.00362	18.1
128.03516	4.4
128.07230	1.6
129.01921	8.3
130.05086	4.8
130.08719	2.3
130.94354	3.4
131.03503	2.2
131.04585	2.6
140.01807	1.7
140.03535	25.9
140.07185	6.7
141.01927	5.3
141.05563	4.2
142.01439	23.9
143.07092	1.1
148.95421	3.7
156.03015	100.0
157.03328	1.5
158.04538	7.0
158.08214	18.1
159.02971	6.8
159.89391	5.5
160.89270	2.3
164.83595	11.0
166.83318	2.0
184.02493	38.2
184.06097	4.0
185.04521	4.0
201.80222	5.6
202.03548	20.7
202.05128	1.3
202.05482	1.2
202.07169	25.1
202.08838	3.1
203.01950	7.5
203.03572	1.5
203.06801	3.6
203.10583	1.7
209.30585	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	200.0926
Annotation	L-Dihydroanticapsin
Peak:m/z	Relative Intensity
50.73838	0.6
50.77979	0.6
55.01881	1.2
55.77618	0.7
57.03449	2.6
59.01376	8.7
61.98825	2.2
69.19561	6.1
71.01383	0.7
72.04539	8.7
82.02975	0.9
82.39494	0.6
83.01383	1.6
84.04558	1.7
86.02461	0.7
89.94610	0.6
94.30145	0.6
103.92033	1.0
105.26451	0.7
110.09760	0.7
113.02460	0.8
114.02783	0.8
125.09666	1.2
126.09261	5.0
128.03545	0.9
128.10805	100.0
129.10294	1.4
129.11169	2.4
154.08719	34.4
155.09207	0.7
155.10823	0.6
156.10277	39.6
162.83861	1.1
163.26443	0.6
164.83618	1.7
183.11356	5.0
199.80470	0.8
200.03712	0.9
200.09244	34.7
201.02487	1.6
201.09593	0.9
201.12468	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39935	0.3
59.01377	100.0
60.01708	0.7
69.78712	1.3
87.85761	0.3
98.19936	0.2
113.04561	0.3
141.12311	0.3
157.03552	6.7
157.04764	0.5
159.01456	1.9
168.84540	0.3
201.02544	17.0
202.02805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03445	5.5
59.01382	2.4
65.52652	0.4
69.03454	0.7
71.05023	0.4
72.61870	0.4
88.54697	0.4
107.84862	0.4
111.08145	4.5
125.09761	0.4
137.09673	1.9
139.11281	97.3
140.11610	2.8
141.98274	0.7
157.12350	1.4
183.10248	52.0
184.10594	1.2
189.70644	0.4
201.11307	100.0
202.11653	2.1
224.32260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
55.50548	0.2
59.01376	0.5
69.45784	1.3
69.63096	0.3
80.89927	0.2
83.05002	0.2
92.99816	0.3
112.10992	0.2
136.98851	0.2
137.09720	6.4
149.98726	0.2
155.10773	100.0
156.11081	3.2
181.08725	1.3
199.09746	10.7
199.13345	0.7
199.16925	0.3
200.09999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1339
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
51.16986	0.5
54.48603	0.5
57.03440	0.7
57.42697	0.5
59.01361	2.0
59.16074	0.5
67.01881	1.4
68.99783	0.8
69.03448	0.6
71.01387	1.2
71.05009	1.1
71.16540	0.8
72.99262	0.5
73.02931	1.0
83.01369	1.5
83.05028	0.8
85.02938	1.2
88.12273	0.5
89.26856	0.6
92.99808	2.1
95.05013	0.7
96.95985	1.5
99.00873	2.1
99.04507	0.8
99.08141	1.2
109.02924	0.6
111.00893	2.7
111.04493	0.7
113.02439	3.3
125.02472	0.8
125.06066	1.0
127.00384	1.3
127.03993	2.4
127.07617	0.5
130.12100	0.5
136.98787	1.1
137.06076	0.7
137.09668	0.8
155.10779	5.6
162.83888	2.5
163.11273	0.6
164.83632	2.8
169.12350	4.4
181.12331	18.3
182.12605	0.6
197.11838	1.9
198.98839	0.9
199.06102	1.3
199.09795	2.8
199.13380	100.0
199.16887	2.7
199.80437	2.6
200.13744	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	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
55.01870	1.3
56.98016	2.0
57.03461	1.3
59.01371	2.3
67.01884	2.1
69.03444	1.4
71.01370	3.9
71.05013	2.8
71.57922	0.7
72.02129	0.8
73.02940	6.6
83.05023	1.4
84.02161	2.2
85.02950	5.3
86.03719	2.4
90.62277	0.8
92.99830	1.8
95.05013	1.4
97.06568	3.4
99.00865	2.0
99.04507	0.8
99.08141	1.8
101.02441	1.3
108.79620	0.7
111.00864	1.9
112.01677	0.8
112.05317	7.5
113.02451	3.3
115.07651	3.4
119.08698	0.8
120.92280	0.6
123.04559	1.1
125.02457	0.9
125.06081	1.0
125.09691	1.7
127.04032	1.7
127.07623	1.4
127.11272	5.1
129.01956	4.3
130.02707	37.5
136.98781	1.1
137.09712	10.2
139.03978	1.0
152.79898	0.6
153.09184	1.5
153.30864	0.6
154.99815	0.7
155.10768	100.0
156.11040	3.1
162.01648	0.8
165.73088	0.6
175.63037	0.6
180.97792	1.0
181.08739	3.7
190.15134	0.6
198.98769	0.8
199.04243	0.6
199.06079	1.5
199.09756	7.3
199.13347	5.9
199.17067	1.5
215.50993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0771
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
59.01374	1.6
59.52324	0.6
61.71537	0.6
61.98831	4.3
69.70152	3.6
71.01363	1.0
71.05036	1.0
78.39346	0.7
80.96512	0.9
81.92184	0.6
85.02935	1.0
88.92516	0.6
95.05038	1.3
96.96024	1.2
107.03812	0.7
108.04552	2.5
110.06136	2.0
111.04543	0.9
112.04027	0.8
113.02448	1.7
121.05306	1.2
122.03671	0.9
122.06113	3.8
124.07677	100.0
125.08006	2.1
127.04017	0.9
133.77858	0.7
134.06107	1.9
135.03291	1.0
136.07677	63.0
137.08000	1.4
138.05589	1.6
149.57483	0.7
154.05045	1.0
154.08795	1.5
155.10736	1.1
160.84198	1.0
162.83888	3.7
165.32475	0.6
167.00726	0.6
168.06659	12.9
180.06650	72.2
181.07074	0.9
197.80775	1.2
198.07687	12.3
198.12152	1.6
199.06084	1.0
199.13409	1.3
218.61385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99642	0.2
59.01378	0.7
65.00302	0.3
65.91808	0.3
66.83535	0.2
71.01373	1.9
71.27249	0.4
81.03446	0.5
83.01383	0.5
93.03459	0.8
95.01369	1.4
96.96003	0.7
97.02923	0.4
106.59689	0.3
107.01392	0.3
107.05093	0.3
108.02155	1.4
109.02950	5.2
109.06615	0.3
111.00875	0.7
120.13107	0.2
121.02958	0.7
123.00900	2.5
123.08214	0.4
124.01644	0.8
125.99638	0.6
126.90495	1.0
135.08195	0.3
136.01646	2.2
136.07645	0.4
137.02437	38.5
138.02834	0.9
141.01900	0.6
151.00320	0.6
151.84373	0.3
153.01939	0.6
153.05557	1.4
153.09189	0.8
153.12822	0.5
155.13963	0.3
160.84224	0.6
162.83905	1.0
165.01920	100.0
166.02231	2.4
166.99884	1.3
169.01462	0.7
178.99832	1.2
179.03427	0.8
182.02176	3.1
197.00891	0.3
197.04643	2.2
197.06436	0.6
197.08025	1.5
197.09908	0.4
197.11821	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
56.44224	0.4
61.60133	0.4
61.98826	1.8
62.90287	0.4
63.98230	0.4
68.51505	0.4
69.82533	2.2
71.01363	1.2
71.05019	0.9
75.11316	0.4
97.06581	12.5
97.07212	0.7
98.19865	0.5
98.38033	0.4
99.08163	2.8
103.97652	1.0
104.14941	0.4
109.06612	0.5
112.98576	0.7
116.92873	0.5
122.03728	1.8
123.00845	0.9
125.09682	0.8
126.03233	0.8
137.02440	0.5
137.09691	1.4
138.99239	0.5
153.12837	100.0
154.13136	3.0
160.84196	5.1
161.84052	0.5
162.83905	13.7
163.74968	0.4
166.99863	0.7
169.12402	0.5
177.58426	0.4
179.10762	21.6
180.11082	0.4
182.02222	1.7
197.01988	0.7
197.08067	0.6
197.11813	10.6
197.80772	9.6
215.07497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.25137	0.1
54.16185	0.1
57.03436	0.2
59.01369	0.9
61.98821	1.8
65.56392	0.1
68.99564	1.0
69.03452	1.6
70.51495	0.1
70.85084	0.1
71.01377	1.6
71.57401	0.2
71.59847	0.2
81.03460	0.3
83.05015	1.2
85.06599	0.1
95.01386	0.4
95.05003	0.2
96.95969	0.2
97.06568	0.3
103.97655	1.8
112.98576	1.2
115.04066	0.1
116.92858	0.6
121.02930	0.3
123.00870	0.9
123.04530	0.2
123.08143	0.3
125.02470	0.2
125.09740	0.4
126.90476	0.7
137.02411	0.3
138.03198	0.3
141.09235	0.8
151.11302	0.6
153.05559	0.4
153.09219	2.1
153.12836	3.9
154.91362	0.2
160.82904	0.3
160.84210	4.5
161.84247	0.4
162.83902	11.0
166.99820	0.9
169.12326	14.3
170.12704	0.5
178.99800	0.3
179.03458	0.2
179.10756	1.9
182.02206	1.8
197.11812	100.0
197.78918	0.3
197.80769	6.6
197.90157	0.2
198.12154	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	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.84835	0.3
55.22070	0.4
59.01379	37.7
61.98820	2.7
68.99560	2.4
71.01377	1.2
71.05952	0.7
71.06285	0.4
73.02953	0.4
81.03451	0.6
82.31924	0.3
83.05025	0.8
85.02953	1.2
89.84454	0.3
91.85871	0.4
93.03482	0.6
96.96008	5.9
97.06591	0.5
99.68107	0.4
101.00214	1.1
103.83179	0.4
109.04813	0.3
112.98564	3.3
121.02945	0.8
122.03755	0.4
123.04516	0.7
135.06642	6.6
136.05254	0.6
137.02505	0.5
138.85942	0.4
150.03218	1.4
151.03989	0.5
151.07568	0.8
151.11301	0.3
152.91756	7.5
152.94507	1.2
153.92328	0.4
158.84663	0.7
160.84206	22.8
165.01932	0.6
165.05589	1.1
167.03670	0.4
167.90446	2.3
177.12854	3.3
180.04300	2.2
186.46049	0.4
194.92816	3.8
194.95625	1.0
195.02971	0.8
195.04749	0.8
195.06650	1.8
195.13898	100.0
195.81096	10.1
196.14264	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
52.66888	0.2
56.04938	0.2
59.01376	15.7
61.98832	1.5
63.82119	0.2
68.99568	3.3
71.01376	0.6
73.02942	0.3
81.03462	0.2
85.02943	0.6
93.94155	0.2
94.04257	0.2
95.62026	0.2
96.95992	2.0
97.91600	0.2
101.00197	1.7
101.02441	0.2
109.06585	3.8
111.08152	3.7
112.98558	3.7
114.07127	0.2
121.02959	0.4
122.03748	0.7
125.09690	0.6
130.99207	0.3
135.06630	2.4
135.11749	0.6
138.06854	0.7
139.07646	0.5
150.03154	1.2
151.07663	0.3
151.11288	0.7
152.91765	4.5
152.94475	0.5
160.84206	10.6
165.01952	0.2
165.05531	0.6
167.14409	6.1
167.90430	1.6
179.10776	4.0
180.04283	1.2
180.11575	0.5
194.92842	2.3
194.95537	0.5
195.13887	100.0
195.81073	4.3
196.14246	3.1
212.93861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0508
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
52.33081	0.7
57.03440	4.3
57.03683	0.7
58.00578	1.2
59.01376	24.4
61.20223	0.8
65.00763	0.7
71.01376	10.6
71.31344	1.3
72.99306	6.1
75.00868	100.0
76.01205	1.0
85.02959	10.1
87.00867	11.1
89.02441	9.4
99.00870	8.0
101.02419	2.7
105.01935	3.4
111.00884	4.9
129.01935	32.6
130.02275	0.8
131.03520	0.8
141.01920	3.5
147.02969	1.7
153.07048	0.9
159.02979	15.4
161.57646	0.8
168.13414	0.7
177.04059	5.7
195.05083	91.7
196.05444	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	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
56.83593	0.3
57.03450	0.8
59.01377	12.8
60.36240	0.3
64.99842	0.3
69.19973	2.9
71.01370	1.5
73.02940	1.0
83.01392	0.4
85.02944	4.0
87.00881	4.0
89.02422	0.3
93.03462	0.8
98.20599	0.6
101.02442	0.4
111.00875	6.5
111.04411	0.4
113.02444	0.4
119.05007	1.3
121.02953	100.0
122.03268	2.8
127.04051	0.4
129.01950	0.7
131.03505	1.1
141.67470	0.3
145.86174	0.3
147.04504	6.7
148.01703	0.5
150.38123	0.3
163.04030	0.8
176.01125	2.1
176.02396	0.3
177.69798	0.3
191.01944	1.0
191.03513	10.1
191.05602	6.2
191.07114	0.4
191.10796	0.3
192.06563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0868
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.39695	0.3
59.01377	0.7
71.01997	0.6
73.02946	0.4
73.51080	0.4
78.19324	0.3
84.31286	0.4
85.02998	0.5
99.00862	0.4
107.05035	0.7
110.63988	0.4
113.02412	0.4
134.03792	0.6
135.04518	25.8
136.04849	0.8
149.06081	0.5
157.52327	0.4
161.04543	0.5
163.04001	100.0
164.04321	3.0
171.17722	0.4
178.06343	66.5
179.06680	1.8
193.07056	0.6
193.08679	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	194.0457
Annotation	2-Carboxy-2,3-dihydro-5,6-dihydroxyindole
Peak:m/z	Relative Intensity
59.01381	8.2
60.54772	0.3
70.09573	0.3
71.56535	0.3
71.56938	0.5
75.00857	0.6
78.17123	0.3
82.00968	0.3
85.02930	0.5
104.05048	0.4
106.06622	100.0
107.06947	2.4
108.04554	2.1
135.04129	0.4
135.06660	1.9
150.05595	30.3
151.04030	0.3
151.05945	1.1
152.91760	0.5
165.01984	0.4
176.03497	1.3
179.03145	0.7
180.04225	0.8
194.04521	7.0
194.07469	0.4
195.03032	0.4
195.04962	0.8
195.06593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03447	7.0
59.01400	1.7
59.64326	0.4
67.01895	3.7
70.50264	0.8
71.01391	2.0
85.02943	24.6
87.00870	50.1
88.78614	0.4
88.94809	0.4
99.00851	0.8
101.02440	0.9
103.02561	0.4
103.03965	0.4
111.00874	100.0
112.01218	1.1
112.98816	0.9
120.59465	0.3
129.01927	8.1
130.99875	1.1
152.46559	0.4
154.99873	0.7
169.10805	0.3
173.00870	2.7
179.17580	0.4
191.00235	0.8
191.01968	15.3
191.05583	0.5
195.78346	0.3
205.42245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.8
59.01375	5.6
65.99764	0.4
67.01893	4.0
69.70670	0.4
70.08371	1.4
70.08789	0.9
71.01381	2.8
72.99318	1.2
73.02937	0.9
79.20021	0.4
83.01407	0.6
85.02952	28.7
87.00876	50.4
89.02454	0.5
99.00867	0.9
101.02434	0.8
101.06087	3.8
111.00880	100.0
112.01222	1.8
115.03997	1.8
129.01942	8.4
129.05566	1.8
129.87952	0.5
130.99852	1.1
131.03499	0.8
139.08417	0.6
147.02980	0.9
151.96414	0.4
154.99870	0.5
173.00835	2.3
175.95299	0.5
180.88425	0.5
191.02002	13.1
191.03699	0.5
191.05600	2.8
191.09265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0716
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
69.61405	1.8
70.02975	82.7
71.03310	1.0
87.26846	0.4
91.05543	4.6
98.19857	0.6
101.03973	2.0
101.23344	0.5
115.05539	1.5
116.05061	1.4
117.03462	100.0
117.07098	11.7
118.03807	2.2
118.06631	21.6
119.05018	1.4
126.10130	0.5
142.06590	0.8
144.08188	32.1
145.06616	1.4
145.08513	0.9
146.06113	1.5
160.07692	2.9
173.02211	0.4
188.03554	0.6
188.07162	18.9
189.05602	0.8
189.07390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0768
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
56.05772	0.5
59.01396	3.3
62.16016	0.5
66.42831	0.6
68.79194	0.6
69.80956	2.8
71.05021	3.4
72.95454	0.5
81.31625	0.5
87.78805	0.5
99.08154	33.8
100.08547	0.6
101.06111	0.9
126.39668	0.5
127.07648	33.2
128.07941	0.8
129.05577	100.0
130.05885	1.2
145.08708	5.8
151.38992	0.5
171.06599	6.2
171.79210	0.5
189.07678	59.3
190.08003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.8
57.53186	0.6
59.01369	1.8
63.70955	0.5
67.01891	4.2
71.01373	3.2
71.11945	1.0
83.01396	0.9
85.02947	28.1
87.00871	49.3
99.00874	2.1
101.02434	1.2
111.00873	100.0
111.10880	0.6
112.01199	1.7
112.98808	2.2
118.50248	0.5
129.01945	9.9
130.99878	1.1
147.03032	1.2
154.99881	0.6
173.00868	2.8
191.01952	15.1
191.05627	0.8
205.69376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0352
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
59.01376	1.4
61.98827	0.5
71.01396	0.2
71.57841	0.2
83.05024	0.5
85.06576	0.3
87.92526	0.4
102.03494	0.8
111.04532	0.5
116.05042	0.3
126.10041	0.3
127.07653	4.1
129.05574	5.0
141.86807	1.9
142.08745	0.2
143.07141	0.3
144.04547	100.0
145.03012	0.2
145.04881	2.9
145.06647	0.2
159.03223	0.9
159.87889	0.5
160.04039	0.7
171.06599	0.5
173.04845	0.2
187.86034	0.2
188.03513	4.9
188.07144	0.5
188.09918	0.2
189.03891	0.3
189.05766	0.2
189.07689	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	187.0611
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
56.30657	0.4
59.01375	100.0
60.01686	0.8
70.74111	1.0
71.01392	0.5
83.05026	3.5
97.06580	0.9
98.19916	0.5
99.00874	0.5
125.06085	2.8
125.09733	1.5
127.04037	2.3
127.04913	0.4
134.46327	0.4
143.07126	29.1
144.07480	0.5
166.20148	0.5
168.88849	0.6
187.06116	6.5
187.07649	0.8
187.09703	1.1
202.06412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
51.54886	0.2
57.03450	3.4
59.62093	0.2
69.03452	0.4
69.19294	0.4
69.19697	1.9
71.05017	0.4
74.93745	0.2
80.02641	0.3
83.05040	0.4
87.00776	0.2
95.05035	0.7
97.06587	12.3
116.21392	0.2
123.08155	5.7
123.09013	0.4
125.09721	100.0
126.10054	2.9
127.34581	0.2
143.10768	1.8
168.90942	0.2
169.08675	3.1
187.09749	51.8
188.10098	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	184.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98722	1.1
58.24297	1.2
59.01365	2.7
64.24339	1.2
69.33944	1.1
69.35079	7.9
79.95722	4.3
95.95207	3.4
96.96005	100.0
98.95572	1.4
110.09760	1.9
112.11313	19.9
119.85197	1.1
128.10812	2.0
140.10701	2.0
156.10268	4.9
163.13966	1.1
184.03011	6.6
184.09801	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	186.0559
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
54.52228	0.2
60.77311	0.2
63.26982	0.2
69.14713	0.2
70.43839	0.5
73.70486	0.2
95.02208	0.2
116.05034	1.4
123.20316	0.2
125.09689	0.2
140.05086	0.4
141.05562	0.2
142.06612	100.0
143.06950	3.4
186.05586	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	186.077
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
54.58501	1.4
57.40485	1.6
58.02679	1.5
58.02973	37.4
59.01377	55.0
61.98828	6.5
63.03376	1.4
66.03470	6.8
68.05038	3.3
68.99825	1.9
69.59279	9.9
71.01378	8.0
71.05027	4.6
72.99295	2.0
75.00871	2.2
78.95911	2.0
79.16810	1.4
81.03476	2.6
82.02984	5.4
82.97578	1.6
83.01377	3.0
83.05027	22.4
84.04531	2.7
88.04058	1.5
92.05056	5.5
96.99364	1.5
97.02989	2.0
97.06617	3.3
98.06124	3.4
98.89822	2.8
99.00865	4.2
100.04032	7.4
100.07672	12.9
110.06126	12.5
112.04041	67.7
112.98779	3.2
114.05624	3.3
114.06425	1.4
114.09242	30.7
115.03991	5.0
122.06127	17.4
124.04053	3.1
124.07683	32.2
124.98812	2.1
125.02390	1.7
125.06087	4.1
125.09700	4.7
126.02020	3.4
127.00353	5.4
127.04002	11.4
130.99867	3.5
134.19031	1.5
142.05093	1.8
142.08728	20.3
142.99788	1.7
143.07118	13.9
144.05495	3.1
144.06651	61.2
159.01418	1.9
168.06653	35.6
168.88838	1.9
186.04121	3.4
186.05870	4.0
186.07695	100.0
186.86320	1.7
187.02504	4.6
187.06091	2.5
187.07883	2.0
187.09683	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	183.1388
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
71.27946	0.4
122.50151	0.2
183.13884	100.0
184.14212	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	184.0613
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
59.01376	56.0
59.09743	0.9
60.01693	0.9
69.59464	3.1
69.59871	1.8
70.02969	2.0
71.01381	14.1
82.91868	0.8
84.04547	9.3
89.85909	0.8
94.02963	4.4
95.05006	1.5
96.00906	1.1
97.01675	5.1
98.02491	1.5
98.20601	1.7
110.02492	3.5
112.04041	100.0
112.07661	1.9
112.98840	1.0
113.02437	2.1
113.04354	1.9
113.06071	3.0
117.04188	0.9
120.90141	0.9
122.06100	8.0
124.04034	79.2
125.02463	1.4
132.03629	1.0
140.06073	1.9
140.07173	39.8
141.07521	1.0
141.09149	1.3
166.02264	1.7
166.05083	5.1
184.06136	84.1
185.06375	2.8
185.11841	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	182.0457
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
59.01377	1.8
60.01708	0.8
67.63772	0.3
69.03437	0.3
69.61206	1.9
71.01368	2.0
72.01718	1.3
73.02937	0.4
79.95735	0.4
81.03424	0.4
86.03284	0.4
89.02454	1.1
89.03383	0.4
90.02787	0.8
91.15601	0.3
92.05056	3.7
93.03439	0.4
94.02982	1.4
95.25873	0.3
96.04577	0.3
96.96015	0.8
98.20617	0.5
101.02436	1.1
102.02763	1.9
108.04551	50.3
109.02944	0.3
109.04905	0.7
110.06118	1.1
111.04565	0.3
118.16908	0.3
120.04544	5.1
122.02477	1.4
123.00845	0.3
123.03252	0.9
125.83648	0.3
136.04028	1.0
138.05602	100.0
139.05920	2.0
152.00783	0.4
152.03525	1.1
164.06432	0.6
167.03096	0.3
182.04562	28.1
182.07487	2.5
183.03226	0.5
183.04910	0.5
183.10329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1387
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
53.92470	0.2
58.56010	0.2
64.09333	0.2
69.44305	0.4
69.44707	0.9
81.53921	0.2
86.89927	0.2
168.00598	0.2
177.91438	0.2
183.13890	100.0
184.14209	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92470	0.2
58.56010	0.2
64.09333	0.2
69.44305	0.4
69.44707	0.9
81.53921	0.2
86.89927	0.2
168.00598	0.2
177.91438	0.2
183.13890	100.0
184.14209	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	179.0559
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
55.01867	0.9
57.03428	1.1
58.00579	1.3
59.01374	20.3
69.03444	1.5
69.81168	2.9
71.01379	14.5
71.05006	3.0
72.99300	10.3
73.02948	10.4
75.00866	100.0
81.03455	5.3
83.01382	3.1
85.02947	8.4
85.23144	0.7
87.00869	40.0
88.01164	0.7
89.02442	6.0
95.01396	0.8
97.02945	3.1
99.00874	10.3
99.04433	1.3
99.59068	0.7
99.96117	0.8
101.02447	5.0
101.68349	0.7
105.01901	1.9
113.02387	1.6
117.01928	5.7
125.02448	6.1
129.01927	1.1
141.01926	3.0
143.03502	8.0
159.03001	2.2
161.04533	35.6
169.17915	0.8
177.04057	1.2
179.05594	95.9
180.05908	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	179.0559
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
55.01859	1.3
57.03449	1.6
59.01374	21.9
67.71681	1.0
69.03439	3.6
69.58571	1.4
69.58974	3.7
71.01006	1.5
71.01376	22.5
71.18623	0.8
72.99299	7.3
73.02939	13.2
75.00865	54.1
81.03452	2.5
83.01390	3.9
85.02944	13.1
87.00870	71.8
89.02428	5.8
95.01366	1.7
97.02954	6.0
99.00865	19.8
101.02437	8.8
105.01950	1.6
111.02122	0.8
113.02460	3.9
117.01937	11.5
125.02423	8.5
129.01924	2.5
141.01929	7.3
143.03476	6.6
159.02983	4.1
161.04541	60.0
177.04073	3.7
179.05592	100.0
180.05975	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	179.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01105	1.0
59.01376	14.3
69.03448	0.8
70.44614	2.2
71.01377	8.9
71.05036	3.1
72.99302	10.7
73.02943	9.8
75.00866	100.0
79.01839	0.7
81.03451	5.0
81.62792	0.6
85.02939	3.9
87.00873	23.3
89.02446	4.4
90.98602	1.1
94.71241	0.7
97.02945	1.6
99.00883	7.6
99.04513	2.2
101.02435	2.6
117.01945	3.2
125.02448	4.4
138.34027	0.8
141.01953	1.3
143.03503	8.7
161.04556	21.9
177.04037	0.9
179.05602	84.0
180.05959	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00306	3.5
55.01879	8.4
57.03437	4.1
59.01374	8.5
59.98536	1.3
67.01884	3.2
68.99815	5.1
70.86857	2.4
71.01381	100.0
72.99297	7.3
73.02939	7.8
79.52255	1.2
80.99804	2.1
83.01389	12.8
85.02960	4.0
87.00858	8.3
93.03461	3.8
96.99323	4.7
99.00878	37.5
100.30518	1.2
101.02472	1.1
102.49517	1.1
107.13747	1.1
111.00896	12.7
112.98807	55.6
115.00357	5.9
118.22057	1.4
124.97947	2.1
124.98807	28.0
129.01942	3.2
131.08270	1.8
140.98276	4.0
142.99855	93.5
144.00189	1.5
146.22020	1.1
172.82956	1.6
173.00902	13.7
173.08241	2.0
184.54645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1183
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
51.11756	0.2
57.03429	0.2
58.11332	0.2
59.01370	0.2
67.01889	1.0
70.84279	0.3
71.01374	0.4
76.04398	0.1
93.03460	3.0
101.19685	0.2
111.04559	0.4
111.08168	0.3
125.09743	0.5
127.11288	9.6
128.11607	0.3
155.10767	1.9
159.03241	0.5
171.10297	1.0
173.11816	100.0
174.05585	0.4
174.12148	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	174.0168
Annotation	Aminosalicylate sodium anhydrous
Peak:m/z	Relative Intensity
59.01371	28.8
71.01364	26.7
71.57320	6.5
72.99295	8.6
73.75617	5.5
83.01367	11.2
85.02941	5.9
87.00868	37.8
93.03455	6.7
94.03786	22.3
112.04808	5.1
114.01929	21.1
115.00359	38.1
115.03986	11.2
126.73985	4.9
130.06584	12.6
131.03731	18.2
132.02139	22.2
132.09207	7.2
144.04547	7.6
146.02464	10.4
159.03259	35.7
160.01675	47.6
162.79912	6.5
174.01709	100.0
174.04103	9.2
174.05566	32.3
174.88956	10.0
175.02502	12.5
175.03972	12.9
175.06111	9.8
192.44846	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	175.0247
Annotation	D-Glucuronolactone
Peak:m/z	Relative Intensity
50.69711	6.1
59.01375	48.0
65.71297	5.2
68.99812	8.7
69.86929	25.5
71.01382	32.7
72.99307	10.3
73.02934	7.8
75.00891	10.6
85.15480	5.6
87.00857	25.7
100.98801	100.0
108.83811	5.5
115.00372	54.3
115.03979	5.2
117.01929	15.6
124.98801	10.2
127.97516	86.8
142.99834	20.1
148.98575	23.6
171.18903	5.9
174.82852	36.1
175.02441	14.0
175.06062	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	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03431	0.5
59.01373	4.4
68.52206	0.5
71.32186	0.7
71.32569	0.7
85.06582	42.9
86.06974	0.5
87.04515	1.6
108.08784	0.5
113.06081	38.7
114.06418	0.8
115.04004	100.0
116.04326	1.5
129.05553	1.5
131.07130	8.5
156.56401	0.5
157.05035	9.8
175.06100	64.6
176.06451	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	178.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.0
60.01714	0.3
62.84739	0.2
64.68149	0.2
65.00339	0.2
65.03957	0.8
67.01892	0.5
69.03458	0.2
71.01376	2.5
72.99316	0.3
73.02542	0.2
73.02942	0.7
75.00909	0.2
79.05524	0.2
83.01405	0.3
85.02943	1.7
87.00873	6.8
89.02428	1.2
89.14835	0.2
93.03426	0.4
95.01389	0.3
96.95998	0.4
97.02962	0.7
99.00880	1.5
99.04073	0.2
101.02441	0.8
107.05025	3.3
109.02956	0.9
113.02430	0.3
117.01920	1.1
121.02926	0.3
125.02444	0.9
134.06114	0.7
135.04517	59.7
136.04822	1.1
141.01947	0.6
149.06076	2.2
151.00360	0.4
159.03006	0.5
161.04546	4.4
162.05630	0.5
163.03995	100.0
164.04443	2.4
177.04089	0.3
177.05579	0.5
178.02472	0.2
178.05046	0.5
178.06320	4.0
178.08690	3.6
179.03497	0.3
179.03784	0.4
179.05594	5.3
179.06758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71896	0.3
59.01372	1.9
61.98824	0.5
65.14386	0.3
66.48285	0.2
69.19238	2.4
69.19648	0.8
69.75244	0.3
70.80396	0.3
71.01382	1.3
72.99323	0.4
73.02954	0.3
78.95898	0.8
79.95720	0.5
85.02943	0.4
87.00879	2.9
89.02440	0.5
97.37956	0.4
98.19860	0.5
99.00881	0.7
101.02443	0.6
107.65855	0.2
117.01925	0.7
119.93752	0.9
134.96083	49.0
135.96176	1.9
136.94002	100.0
137.94070	4.1
141.45204	0.3
151.92706	13.5
152.92804	0.6
159.02917	0.3
161.04587	2.0
168.44345	0.3
178.95050	75.3
179.05635	2.3
179.95172	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	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	100.0
59.03337	0.4
61.98830	2.2
67.86059	0.2
68.99825	0.9
69.03465	0.4
69.77961	0.9
70.02980	0.7
81.03436	0.3
82.95415	3.0
83.04993	0.4
87.00878	0.7
97.02976	0.3
98.20619	0.6
108.04552	0.8
109.02448	0.4
125.02420	2.1
126.90392	0.5
132.86748	0.7
138.12511	0.2
150.05489	0.3
151.11269	0.6
151.56367	0.3
151.68520	0.2
153.01566	0.5
168.13908	10.6
168.83611	0.4
168.91302	0.3
168.98877	0.6
169.01376	1.3
169.05083	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9812
Annotation	(S)-2-O-Sulfolactate
Peak:m/z	Relative Intensity
68.99803	0.5
71.01378	100.0
71.54685	0.5
71.55078	0.7
72.01727	0.6
76.83345	0.5
77.46786	0.5
78.95863	0.8
79.95711	0.9
80.96514	33.3
87.00871	3.4
96.96024	0.9
97.01511	0.6
106.98089	1.6
107.64412	0.6
109.04044	0.6
122.97582	1.0
125.00946	3.0
125.09727	0.6
126.90358	1.6
126.98880	3.5
138.92102	1.9
141.97624	0.7
150.97061	72.8
151.97316	0.9
168.82130	1.3
168.83618	48.8
168.98117	84.1
169.98415	0.7
180.58211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0662
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
59.01379	4.0
64.13654	0.3
69.18311	3.2
71.01373	0.6
109.06591	9.2
127.07648	100.0
128.08006	2.7
171.06651	2.4
171.10265	3.1
171.13913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
60.43727	0.4
69.46214	3.0
72.54601	0.4
86.53869	0.4
90.76125	0.4
123.08118	0.4
125.09698	3.0
126.22562	0.4
127.10374	0.6
127.11271	6.8
130.45665	0.3
132.76758	0.4
145.90788	0.5
153.09198	1.4
171.10257	100.0
172.10619	2.5
191.12755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0615
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
55.01879	5.1
57.03446	8.7
58.02962	1.4
59.01370	6.0
59.11325	1.1
62.35552	1.0
67.01895	7.0
68.99807	4.5
69.56891	5.5
70.02974	12.2
71.01376	49.8
71.05027	1.0
72.00896	4.1
72.04552	2.6
72.99306	5.6
73.02941	8.1
74.02470	58.7
83.01387	7.2
83.05009	2.9
84.04546	34.5
85.02962	9.3
85.06587	5.1
86.06117	1.8
87.00858	4.5
88.04031	2.1
93.03462	20.1
96.00881	1.2
96.99306	21.3
98.02471	14.9
98.20634	1.2
99.00858	15.5
99.04525	1.6
101.02459	2.5
107.03609	3.2
110.06135	1.1
111.00874	18.7
111.01580	1.8
111.04516	14.6
112.04040	42.1
112.98798	21.0
115.00365	4.0
116.03526	17.1
124.98805	8.8
126.18710	0.9
128.03503	1.4
128.07190	2.2
129.01929	2.8
129.05537	2.5
130.05093	100.0
131.05385	1.5
131.08264	2.7
134.04723	59.8
135.05144	1.1
142.99850	20.5
143.23508	0.9
145.01390	0.9
154.99861	1.9
155.03488	9.5
171.83435	3.7
172.06142	45.5
172.10640	7.5
172.83043	43.8
173.00952	6.0
173.02187	1.3
173.04552	8.1
173.06055	1.3
173.08136	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	167.035
Annotation	Orsellinate
Peak:m/z	Relative Intensity
50.54002	0.3
58.95825	0.4
61.98824	0.8
66.22985	0.3
67.19122	0.3
69.97452	1.3
80.02675	5.1
81.03471	0.5
82.95430	1.3
91.01898	0.4
95.01439	0.3
108.02170	100.0
109.02476	2.2
123.04521	48.4
124.04865	1.1
136.20726	0.3
152.01152	7.2
157.03801	0.3
166.83379	0.5
167.03488	46.8
168.03847	1.2
170.68939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	Orsellinate
Peak:m/z	Relative Intensity
71.57954	0.4
80.02676	4.3
108.02168	100.0
109.02507	2.6
123.04520	46.9
124.04856	0.9
124.97529	0.3
134.71217	0.2
152.01146	5.4
167.03485	45.0
168.02544	0.3
168.03769	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	167.0713
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
54.06700	1.6
65.00327	2.0
67.01889	4.0
67.95674	1.7
69.03448	9.7
69.59672	10.5
71.01379	4.8
79.05560	1.9
80.02682	4.9
81.03445	4.4
83.01405	2.3
83.05026	9.9
84.02175	8.7
85.02953	9.9
85.06620	2.0
89.61320	1.6
91.01895	3.1
93.03465	4.1
93.07090	6.5
94.99888	1.8
95.01382	30.5
95.05023	12.7
97.02945	12.1
97.06571	10.8
98.03734	6.6
105.07093	5.3
106.04181	1.7
107.04979	1.7
108.02178	50.9
109.06583	19.3
110.00084	1.8
110.03719	13.8
111.00812	1.9
111.04556	3.9
111.08156	61.2
112.01658	35.9
119.05061	1.9
121.02939	5.4
121.06597	26.1
122.03751	2.4
123.00884	20.0
123.04530	55.8
123.08181	18.2
124.01660	41.7
124.05344	2.2
125.02467	3.0
131.05025	3.9
134.03792	3.6
137.02443	7.1
137.06068	4.3
138.03201	3.7
139.04027	5.5
139.07651	100.0
140.07962	2.8
149.02504	7.5
149.06084	58.3
150.06454	2.4
152.01157	92.0
152.04701	2.8
153.01686	2.4
153.73779	1.5
160.99922	1.4
166.83342	2.4
166.99869	4.1
167.02155	3.6
167.03487	41.4
167.07138	64.5
184.77838	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	166.9984
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
50.19354	0.5
51.02381	0.6
54.04893	0.4
55.40081	0.5
55.55618	0.5
65.00330	0.6
65.03967	0.5
67.01873	2.8
68.99818	3.2
69.03451	2.2
70.45612	1.2
70.45960	0.7
72.99299	0.4
79.01872	0.5
80.02676	0.6
80.05070	0.6
81.03471	1.0
82.02983	0.6
82.95430	0.5
83.01386	0.6
83.05027	1.5
85.02971	0.8
91.01881	1.8
93.03444	1.2
95.01381	100.0
95.04999	2.2
96.01731	1.8
97.02940	1.6
97.06561	0.6
98.00087	0.5
98.20579	0.5
99.00799	0.5
103.48744	0.4
108.02166	17.0
109.02955	2.1
109.06577	0.8
111.00855	1.1
111.04503	0.9
111.08154	3.0
112.01653	1.1
121.02978	3.6
121.06575	2.0
123.00880	66.6
123.04517	16.2
123.08151	2.4
124.01697	5.3
125.02474	2.4
125.03458	0.4
125.06087	0.6
137.02444	3.9
138.01862	0.5
138.03084	0.5
139.00380	4.6
139.03990	1.6
139.07645	6.4
149.02429	4.1
149.06084	3.8
152.01141	35.6
152.04733	0.8
153.01587	0.6
153.30173	0.5
166.99858	15.2
167.02115	1.5
167.03470	16.9
167.05876	0.6
167.07144	6.5
168.00470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0764
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
59.01399	0.2
69.34006	0.4
69.34427	0.5
91.20593	0.1
101.02483	0.1
102.70235	0.1
105.03477	0.2
119.05025	1.2
121.02944	1.4
121.06454	0.1
122.03727	0.3
147.04536	2.4
148.05301	100.0
149.05623	3.4
160.10799	0.1
163.03976	0.1
163.06287	0.2
163.07639	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	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
53.34084	1.7
56.80872	1.4
59.01379	9.6
61.98821	2.9
62.30449	1.6
69.61836	9.0
71.01380	5.6
85.02941	11.0
89.02439	3.0
91.01901	2.3
101.02426	14.0
111.84914	1.5
116.92067	3.3
118.99278	9.8
119.05021	44.3
128.75948	1.5
131.03435	2.5
135.00900	1.8
142.40668	1.5
151.49243	1.7
163.00340	10.2
163.04031	7.7
163.06099	21.6
163.11276	100.0
164.07149	2.8
164.11586	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	164.0716
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
58.31100	0.6
63.89744	0.7
70.40765	2.2
72.00903	38.2
73.74668	0.6
75.00883	3.1
75.85100	0.7
91.05544	2.0
94.02987	1.6
103.05535	5.7
109.83753	0.7
119.04999	1.4
120.05358	1.0
121.02943	6.0
135.04515	4.7
135.37340	0.7
137.02451	1.3
139.78128	0.6
145.36012	0.7
147.04517	100.0
148.04861	2.6
164.07155	61.2
165.01935	1.6
165.04118	1.7
165.07527	1.9
179.30891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07279	0.6
55.01877	3.7
57.03465	0.5
59.01371	6.0
71.01369	4.2
71.20773	0.9
71.21112	0.7
72.99306	6.1
73.02934	0.7
75.00869	100.0
76.01221	1.0
85.02949	1.0
85.43398	0.5
87.00872	13.9
89.02448	2.0
99.00897	1.7
101.02452	1.9
105.01930	9.0
117.01952	1.3
121.02959	0.6
129.01938	12.4
135.02855	0.5
140.75728	0.5
147.02968	5.6
157.64813	0.5
165.04031	47.5
166.04359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0404
Annotation	D-Ribonate
Peak:m/z	Relative Intensity
55.01880	3.5
57.03438	0.9
59.01072	0.2
59.01378	7.3
70.97102	0.7
71.01383	6.0
72.99306	7.4
73.02955	1.3
75.00871	100.0
76.01185	0.5
79.41904	0.2
82.09351	0.2
83.01373	0.7
85.02939	1.7
86.88476	0.3
87.00873	36.2
88.01205	0.3
89.02439	3.2
99.00881	5.1
101.02443	2.1
105.01933	30.0
106.02265	0.5
111.00893	0.5
117.01952	3.0
119.03470	0.6
129.01942	12.6
130.02264	0.3
135.02966	0.7
147.03003	7.3
164.83653	0.3
164.88037	0.2
165.04034	63.9
166.04407	1.2
168.33905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1283
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03445	10.7
58.29771	0.6
59.01379	3.5
61.98816	0.9
64.48332	0.5
65.00335	0.7
66.03474	0.9
67.01898	0.7
69.03458	1.1
71.01381	5.6
71.05004	0.9
71.55630	0.4
72.99304	0.9
73.02943	1.4
75.00869	1.4
77.03963	4.4
80.05061	1.1
81.03429	1.0
82.95415	0.7
83.05025	2.6
85.02946	1.1
87.04541	0.6
89.02443	3.1
91.01865	0.7
92.99803	0.6
93.03456	4.2
93.99338	0.7
95.04999	0.9
96.96001	1.2
97.06586	1.8
101.02432	2.5
107.05045	1.1
108.02158	0.9
108.04559	0.9
109.02936	2.0
109.06585	2.4
111.08151	21.1
111.28904	0.5
112.08458	0.8
119.03494	0.5
119.05016	2.0
121.02950	100.0
121.06585	1.5
122.02459	1.0
122.03204	3.8
122.06123	0.7
123.03218	0.5
123.04507	1.6
123.08192	0.6
127.21264	0.5
133.13895	0.5
135.04526	2.1
136.04858	1.6
137.02438	8.2
137.06064	1.0
138.05606	0.9
147.04526	2.7
149.00948	2.1
150.03195	5.7
164.83603	37.9
164.89728	2.0
165.01912	15.7
165.03397	0.6
165.04106	1.4
165.05545	6.5
165.07570	4.1
165.09134	1.6
165.12836	54.9
165.83653	1.1
166.02486	0.6
166.05115	1.6
166.13165	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	163.04
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
53.56913	0.1
59.01383	0.8
60.03518	0.1
61.64391	0.1
65.13545	0.1
67.74763	0.1
70.55960	0.2
70.56277	0.3
71.01371	0.5
80.73454	0.1
85.02936	1.0
89.02444	0.2
91.05530	0.9
93.03465	1.0
101.02439	0.5
112.02969	0.1
113.02400	0.1
117.03442	0.3
119.05019	100.0
120.05344	2.2
123.14563	0.2
135.00821	0.2
135.04523	0.4
151.47910	0.2
162.99117	0.2
163.00293	0.7
163.03998	8.4
163.05989	0.9
164.04369	0.3
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	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01871	1.0
57.03444	82.4
58.00562	0.8
59.01376	40.1
68.63556	0.9
69.03455	0.9
70.95161	2.3
71.01377	18.1
71.05009	12.7
72.99291	2.2
73.02940	11.0
75.00877	1.7
81.03455	2.1
83.01376	3.6
85.02942	15.0
87.00871	26.5
88.04038	0.8
89.02434	3.4
97.02989	0.9
99.00880	4.2
99.04510	100.0
100.04861	1.7
101.02436	58.4
104.29476	0.8
113.02428	1.8
115.04020	4.2
116.55432	0.9
117.05555	3.3
128.17215	0.8
131.03477	5.7
143.03477	9.6
149.12134	0.9
161.00967	1.1
161.04536	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01671	0.7
55.01882	9.7
57.03446	25.5
57.05570	0.8
58.00583	2.9
59.01355	1.2
59.05017	1.1
60.03522	0.7
61.78906	0.7
62.35904	0.7
69.03455	1.6
70.49373	1.0
70.49709	1.4
71.01367	6.3
73.02953	2.5
83.01385	100.0
84.01703	1.8
85.02957	11.5
87.00878	1.3
87.04519	16.7
87.05058	0.9
92.10740	0.7
99.00869	4.9
101.02437	1.5
111.00912	1.1
126.31848	0.7
127.00355	7.4
129.01906	0.8
147.05846	0.7
152.98717	0.7
155.63397	0.7
159.02972	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	159.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	7.8
57.03448	21.8
58.00579	3.9
59.01395	1.3
60.20698	0.8
61.18949	0.8
70.87176	2.0
71.01379	5.2
73.02947	2.4
80.69516	0.9
83.01382	100.0
85.02942	8.6
87.04511	15.3
87.52437	1.0
98.00104	1.9
98.20628	1.0
99.00888	4.1
99.03057	0.8
101.02443	1.2
104.34817	0.9
110.10178	0.9
124.62074	0.8
127.00375	6.5
129.01958	1.0
159.02954	3.8
176.88863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
56.05024	0.7
56.42814	0.4
57.03192	0.7
57.03446	8.7
58.00560	0.7
58.02970	5.8
59.01375	14.5
60.99302	0.9
63.64785	0.5
68.05043	1.1
68.99780	0.5
70.02969	4.1
71.01378	25.4
71.05035	1.3
71.54961	0.7
72.04528	2.2
72.99303	4.4
73.02943	6.9
73.20448	0.4
74.02469	24.5
75.00864	6.2
81.03461	1.5
83.01390	5.6
84.02150	0.5
84.04542	25.5
85.02941	9.8
86.03284	0.6
86.06112	3.0
87.00874	12.2
87.04544	0.7
88.04034	100.0
89.02431	3.4
89.04359	1.2
98.02476	8.6
98.03183	0.8
98.06100	11.0
99.00873	8.0
99.04528	4.1
100.01128	0.5
100.04040	0.9
101.02429	5.5
112.04042	1.7
113.02433	2.1
114.05576	2.6
115.04030	0.8
116.03540	6.0
116.07180	2.1
118.05093	6.8
125.02439	0.9
128.02574	0.9
128.03537	20.2
130.05092	24.1
131.03473	5.5
142.05104	1.5
143.03458	0.6
159.89352	2.7
160.03995	1.9
160.06133	24.4
160.89343	2.2
161.00885	1.7
161.04541	4.7
161.06462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0665
Annotation	N-ACETYLPROLINE
Peak:m/z	Relative Intensity
57.03448	0.3
59.01365	0.4
66.03483	0.2
68.02529	0.8
68.99814	0.8
69.93623	0.2
71.01352	0.4
71.29535	0.2
71.54812	0.2
75.00849	0.2
81.15061	0.2
82.50227	0.2
96.99327	0.3
114.05598	100.0
115.05944	1.8
124.98811	0.3
156.06648	7.4
156.89520	0.3
157.07011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
53.27834	0.4
53.69576	0.4
59.01382	2.8
65.06120	0.4
69.53653	0.4
71.01366	0.5
71.27555	0.5
77.17636	0.4
81.10537	0.5
82.93713	0.4
84.99326	0.9
85.02943	1.0
99.00895	1.1
113.06087	100.0
114.06427	3.1
114.93464	0.4
125.31635	0.4
127.00375	1.4
138.31290	0.4
139.07643	0.4
156.89420	0.6
157.05069	10.3
157.08694	2.4
157.12306	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	157.087
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
57.03440	1.6
59.01384	16.9
63.53302	1.0
67.05527	1.7
69.03443	1.0
69.36180	1.5
69.36583	7.8
71.01379	14.3
84.99321	3.1
85.02992	1.2
95.05032	2.1
99.00872	2.6
109.06607	5.7
111.08160	3.8
113.06072	1.8
113.09722	1.5
127.00344	4.9
127.07653	38.3
128.07971	1.3
130.06563	1.1
139.07645	25.2
145.46669	0.9
155.07051	1.2
157.08694	100.0
157.12332	6.3
158.03574	1.2
158.09042	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	155.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18551	0.5
51.23779	0.6
55.01866	1.9
57.03430	0.9
58.00589	4.1
59.01378	21.8
65.36189	0.5
67.01891	1.2
67.05531	0.8
68.99811	1.1
69.03458	1.7
70.60603	1.7
71.01381	5.3
71.05003	0.7
72.02164	2.6
72.99313	2.7
74.80100	0.5
78.95921	0.8
79.05507	0.8
80.02659	0.7
81.03484	0.6
81.07073	1.0
83.01389	2.1
83.05024	3.2
84.02162	2.9
84.04570	0.9
85.02967	0.9
85.06554	0.7
86.00108	4.4
93.03467	1.2
95.01373	1.2
95.05028	15.8
96.96000	5.4
97.06601	4.3
98.20557	0.6
99.04464	0.6
99.08163	13.1
107.05029	28.7
108.02184	1.3
108.05354	1.0
109.02916	0.8
109.06593	2.2
111.00868	1.2
111.04521	1.9
111.08183	1.3
112.01658	0.9
113.06075	5.4
114.05605	100.0
122.41451	0.5
123.04533	0.8
125.06076	10.9
127.00340	1.3
127.07666	10.3
137.02432	0.7
137.06076	2.4
140.01160	1.5
154.99857	1.7
155.03589	1.4
155.04640	0.7
155.07147	7.3
156.06628	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	155.1078
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
52.11874	0.5
54.31295	0.5
55.01880	0.6
57.03437	0.5
57.07059	0.5
59.01366	2.0
67.01885	1.1
69.03415	0.6
69.28415	0.5
70.79785	0.6
71.05019	0.6
71.56320	0.5
83.01380	3.0
83.05014	1.1
84.04543	0.8
85.02954	1.4
93.03437	0.7
95.01385	0.9
96.95999	0.9
99.76154	0.5
109.02945	0.5
111.00867	1.7
111.04507	1.0
111.08162	1.4
113.02425	1.0
114.05613	4.1
127.00297	1.2
135.47136	0.6
137.09692	0.6
140.01137	2.2
154.99886	1.1
155.03546	1.4
155.10765	100.0
156.06639	1.4
156.11098	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	152.0717
Annotation	Dopamine
Peak:m/z	Relative Intensity
66.03495	2.2
69.78790	2.6
69.79091	0.5
76.02701	0.4
108.02153	1.2
108.04540	0.5
109.02972	1.1
115.90941	0.4
122.03738	51.6
123.04627	4.5
124.01687	3.1
136.01660	0.9
137.02451	5.9
152.07164	100.0
153.01958	1.0
153.05534	0.6
153.07521	3.6
154.02713	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	153.1285
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
55.01883	0.6
61.62784	0.4
61.98828	1.0
65.00342	1.3
65.03974	0.6
66.03483	3.5
67.01888	0.6
67.03828	3.6
68.99831	1.0
69.03459	2.3
69.49425	3.6
71.01383	0.9
71.05040	1.3
72.99331	0.7
76.95004	0.5
80.96538	0.7
81.03451	3.9
82.02998	1.7
83.01388	1.1
83.05056	0.4
85.02958	0.6
93.03440	1.3
94.04298	0.6
95.01392	1.2
95.05040	2.1
96.99331	0.6
97.02950	1.1
97.06578	10.5
98.20625	0.9
99.08150	3.7
107.01361	1.1
107.05014	0.7
108.02168	9.4
109.02952	41.7
109.06599	2.5
110.00085	5.8
110.02535	0.7
110.03291	1.9
110.92576	0.8
111.04539	1.0
112.04056	0.7
112.82961	0.5
121.02986	0.7
122.03729	2.0
123.04521	100.0
124.01641	1.1
124.04028	2.9
124.04857	4.5
124.53522	0.5
124.98778	0.9
125.02434	5.7
125.09771	0.7
135.04520	3.4
136.04059	1.2
137.09709	0.8
137.99582	5.3
138.03160	1.0
151.00331	2.9
151.11281	0.8
152.91812	1.4
153.01935	24.2
153.05565	22.2
153.07524	1.2
153.09244	1.5
153.12840	34.9
153.66589	0.5
153.86855	28.3
154.01350	0.9
154.02412	0.7
154.05069	1.6
154.13202	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	151.04
Annotation	Methyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
50.75297	0.5
52.68110	0.4
54.93350	0.5
55.46208	0.4
58.64814	0.4
59.01385	2.9
65.00317	0.9
66.03487	5.4
67.01888	0.7
70.47714	1.5
71.01377	5.4
73.02948	1.2
75.00879	2.6
75.02399	1.2
75.50977	0.4
81.03453	0.6
85.02934	0.5
89.02429	3.4
90.52747	0.5
91.01893	48.3
92.02227	0.9
92.02708	0.9
93.03454	23.0
94.03781	0.6
95.01379	3.0
95.05033	0.5
96.03488	0.4
101.02421	3.1
107.05021	8.2
108.02172	6.1
109.48909	0.4
117.01881	0.5
119.01387	16.0
120.01729	0.6
121.02953	33.6
122.03838	2.3
123.00845	0.8
123.04521	8.6
133.02919	1.7
136.01659	35.2
137.02292	1.0
149.02419	1.3
151.04002	100.0
151.06056	2.6
151.07594	1.9
152.03299	0.6
152.04459	2.9
152.07167	5.1
154.02740	0.7
156.26883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0112
Annotation	2,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
53.13480	0.3
63.62897	0.3
65.03955	0.5
66.03484	28.3
67.01862	0.5
67.03799	0.4
68.99788	0.3
69.03452	1.1
69.86828	0.8
69.87237	0.8
70.03792	0.8
71.01367	0.5
80.02210	0.3
80.02648	0.4
80.05074	0.5
81.03448	2.8
85.02947	2.9
95.01376	2.9
95.05020	0.5
96.95998	0.4
97.02953	1.0
98.03283	0.4
107.01385	0.4
108.02168	100.0
109.02964	33.9
109.06567	0.6
109.99414	0.3
110.00075	2.2
110.66619	0.3
111.00842	0.3
121.02910	0.4
122.03738	12.1
123.00896	2.4
123.04523	28.2
124.01687	1.4
124.04042	0.6
124.04848	0.8
125.02445	1.9
125.03300	0.3
135.00847	0.4
135.04514	0.5
136.01639	0.6
137.02095	2.3
137.03346	0.4
137.99600	2.8
147.16235	0.3
151.00380	0.4
152.01147	29.5
152.03503	2.0
152.04436	1.9
152.07158	29.4
153.01935	16.9
153.04468	0.5
153.05566	6.3
153.07484	0.7
153.09273	0.3
154.02693	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	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
50.09945	0.2
54.49933	0.2
55.27953	0.2
66.03488	12.6
66.85648	0.2
69.03442	0.3
70.32361	0.6
80.05051	0.3
81.03442	0.4
86.67528	0.2
93.03464	0.2
95.05019	0.3
97.02977	0.2
98.20010	0.2
108.02183	1.3
108.04553	0.5
109.02953	5.1
109.06621	0.3
110.00096	0.9
121.02954	0.7
122.03738	36.2
123.00745	0.2
123.04549	9.9
124.01674	0.5
124.04863	0.3
124.98872	0.2
125.02410	0.8
135.04466	0.3
136.01666	0.3
137.02150	0.9
137.99594	0.9
152.03526	100.0
152.07120	7.5
153.01956	3.2
153.03851	2.8
153.05548	1.7
153.07474	0.3
154.02692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29774	0.3
66.03490	1.5
69.90080	1.6
84.64126	0.3
98.19855	0.4
105.46066	0.4
108.02155	2.7
109.02937	1.4
116.80071	0.3
120.57037	0.3
122.03732	46.4
123.04579	6.2
124.01667	3.2
135.04486	0.3
136.01649	1.0
137.02454	6.0
152.01167	0.8
152.07159	100.0
153.01915	1.2
153.05586	0.4
153.07520	3.7
154.02689	6.3
155.03046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71440	1.3
54.48637	1.3
69.17320	1.4
69.68677	9.2
91.05547	1.8
93.03424	1.6
98.20647	1.8
100.25303	1.3
105.03487	2.2
119.05020	2.9
121.02958	17.5
147.04523	20.0
148.05299	100.0
149.05638	3.7
162.80243	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	149.0455
Annotation	50-69-1
Peak:m/z	Relative Intensity
56.25776	0.9
59.01373	4.0
69.03455	2.5
69.67490	5.7
71.01377	29.9
73.02943	21.3
87.00877	12.0
89.02440	100.0
90.02760	1.6
103.04000	5.7
107.29834	1.0
120.69124	0.9
128.87172	1.0
131.03494	13.8
149.04550	53.1
153.82840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0454
Annotation	50-69-1
Peak:m/z	Relative Intensity
59.01366	4.0
69.03451	1.1
71.01381	27.7
71.24489	1.2
73.02947	19.1
80.22173	1.1
87.00869	10.6
89.02441	100.0
89.24394	1.1
90.02795	1.6
98.19933	1.0
101.02467	1.2
103.03981	6.6
131.03494	13.1
149.04552	58.2
150.04936	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	149.0455
Annotation	D-Ribose
Peak:m/z	Relative Intensity
59.01375	100.0
66.16229	1.5
69.72548	8.4
71.01376	5.3
73.02959	2.0
79.55287	1.6
89.02443	9.9
98.19936	2.3
121.02943	3.0
149.02379	2.7
149.04504	4.4
162.61739	1.6
164.69324	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	146.0459
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
54.67633	1.0
56.23798	1.0
57.03450	1.2
59.01375	6.3
67.93341	1.1
70.89107	2.0
70.89429	1.4
71.01388	1.6
74.02469	1.6
75.00877	1.4
80.23831	1.0
85.02953	2.5
91.19029	1.0
102.05604	100.0
103.05933	2.9
128.03535	46.9
129.03905	1.7
146.04590	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	147.03
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
50.27576	1.6
53.19065	1.5
53.31927	1.7
56.34953	1.6
57.03443	12.0
57.03686	1.7
57.41888	1.8
58.00576	5.5
59.01374	100.0
63.98830	1.7
67.01889	2.1
70.13820	2.8
70.14167	5.9
71.01377	22.0
72.99303	8.3
75.00867	32.3
83.01376	6.0
85.02945	6.3
87.00855	4.6
89.02438	10.0
91.11973	2.2
99.00872	7.7
101.02430	8.2
102.05604	7.5
103.05932	18.8
111.00871	6.4
117.01877	2.1
121.70501	2.0
129.01920	11.2
129.03860	10.7
146.86745	9.2
146.87730	1.8
147.02988	11.9
147.04912	6.0
153.56233	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	147.0299
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
53.10332	1.6
57.03443	11.3
58.00580	4.0
59.01375	100.0
66.82236	1.7
67.99038	2.2
69.12730	2.1
70.34843	6.3
71.01374	24.1
72.99302	8.4
75.00867	28.0
83.01381	6.9
85.02951	7.7
87.00876	3.6
89.02451	8.7
92.95997	3.4
99.00892	8.8
101.02439	3.1
102.05563	8.9
103.05286	3.7
103.05931	31.3
111.00883	6.9
113.32660	1.8
129.01930	11.2
129.03905	11.4
130.03964	3.4
146.86693	4.6
147.03036	13.8
147.04874	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	145.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03436	2.1
59.01365	1.3
62.37167	0.5
65.24021	0.5
65.55161	0.5
67.16008	0.5
68.10435	0.5
70.38721	0.7
70.39069	1.6
71.01372	5.1
73.02941	1.6
74.02473	0.7
83.01384	1.2
87.00877	2.8
90.11088	0.6
98.20019	0.7
99.00909	0.8
101.02436	8.7
101.11922	0.6
102.05603	6.5
115.00352	3.0
115.58467	0.5
127.00356	1.2
128.03510	3.2
134.64066	0.6
142.42575	0.8
144.96468	100.0
145.01381	2.6
146.04544	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	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
51.75602	4.2
51.75872	3.5
57.03448	9.8
59.01371	12.3
70.38923	15.4
70.39293	8.4
71.01384	34.0
72.99308	6.6
73.02957	10.4
74.02462	9.1
83.01395	10.8
84.04554	7.4
87.00855	21.8
99.00892	7.6
101.02429	50.9
102.05604	100.0
106.20752	4.6
115.00372	33.9
127.00382	15.7
127.05190	6.5
128.03551	38.5
128.55087	4.3
145.01418	18.7
145.06171	11.0
146.04585	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
69.19336	14.3
69.19722	3.1
69.21800	1.3
71.01373	3.6
75.36256	1.4
80.45751	1.6
83.01336	1.7
83.05030	3.6
85.44585	1.5
99.08155	100.0
101.06075	4.2
102.05602	2.5
115.00329	1.6
118.03011	3.5
144.96512	4.4
145.03017	1.6
145.05019	7.1
145.08707	57.5
146.02492	11.8
146.09048	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	146.0459
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
52.78840	1.4
55.01884	2.6
57.03427	2.8
59.01379	19.1
71.01378	21.8
71.57465	2.2
72.99297	2.3
74.02429	1.4
75.00870	6.9
77.35971	1.9
80.51757	1.6
83.01382	1.9
84.99301	2.6
85.02934	2.1
87.65554	1.4
99.00872	9.0
102.05608	100.0
103.05972	1.7
111.00847	1.9
113.20033	1.5
115.03980	1.4
118.02972	4.6
128.03537	45.4
129.01974	3.1
129.03871	1.9
138.94107	1.8
146.02545	15.8
146.03627	3.7
146.04619	21.3
147.02979	4.1
147.04555	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	11.0
55.01875	4.3
57.03438	6.5
59.01372	10.5
60.14938	3.5
68.99815	6.4
69.03451	9.8
69.57335	2.9
70.70570	6.7
71.01001	5.6
71.01376	71.4
72.99293	2.7
73.02961	6.3
81.03474	5.7
83.01395	4.3
85.02950	32.0
87.00883	10.6
87.04517	9.0
91.11250	2.7
96.99289	14.2
97.02940	7.3
97.06569	4.2
99.00874	4.4
99.04528	6.1
101.02425	3.9
106.75518	3.0
112.74984	3.1
112.98796	23.9
113.02473	8.1
115.00337	3.0
115.04031	3.6
124.98794	39.8
125.02450	11.2
140.98311	8.3
142.99858	100.0
143.03534	21.0
143.07133	6.3
143.10748	19.0
144.04602	17.3
144.06650	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	143.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.8
57.03441	9.8
59.01375	100.0
59.05445	3.1
61.98810	5.2
69.03446	11.3
70.45609	7.8
70.46005	7.6
71.01373	55.9
71.05005	5.4
72.99301	4.3
73.02929	4.6
81.03455	9.6
83.01389	4.7
83.67046	3.2
85.02950	37.1
87.00871	9.4
87.04506	9.0
97.02955	9.3
97.06588	7.8
99.04523	10.1
99.08167	4.5
111.85329	3.2
113.02428	6.1
115.03996	4.1
124.98782	6.6
125.02459	17.1
125.06121	4.5
142.99864	8.1
143.02496	4.2
143.03510	10.5
143.07143	17.9
143.10730	20.4
144.04549	72.1
144.06607	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	144.0666
Annotation	4-Acetamidobutanoate
Peak:m/z	Relative Intensity
50.44684	0.9
52.49321	1.0
57.03435	3.9
57.10131	0.9
58.02972	86.4
59.01371	3.4
67.17669	0.9
69.73441	5.4
71.01375	9.8
71.05009	2.5
72.99304	1.1
73.02937	4.8
76.51601	0.9
81.03448	1.0
82.02979	2.1
83.01387	2.6
83.05040	4.6
83.05483	1.0
84.04576	1.4
84.44733	0.8
85.02950	2.4
87.00877	3.3
94.27253	1.0
99.00850	1.5
99.04484	2.3
100.07651	1.5
101.02438	4.8
101.06065	3.3
101.35931	0.9
102.05605	63.6
112.98858	0.9
115.00350	6.7
127.00311	1.8
127.03983	3.0
127.05102	2.4
128.03520	1.0
130.63280	0.8
144.02951	1.2
144.04623	6.7
144.06660	24.1
144.96468	100.0
145.01418	3.1
145.05099	6.4
145.06163	1.4
155.22701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.056
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
60.49242	0.8
66.03462	1.3
80.14222	0.6
91.89120	0.7
94.03776	3.3
95.05021	0.8
108.02156	2.0
111.00859	2.1
115.96831	0.7
122.02473	0.8
123.03262	47.1
124.03573	2.0
138.01949	4.3
138.05602	100.0
139.00349	1.5
139.05951	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	142.0662
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
55.01884	0.7
56.78605	0.4
57.03444	0.7
59.01373	0.6
62.74643	0.4
69.03468	0.4
71.01376	3.3
71.55604	0.7
81.03432	0.9
85.02940	1.9
87.04505	0.5
97.02905	0.5
97.91877	0.5
101.91402	0.4
116.05051	1.8
125.02448	1.3
140.05035	0.5
142.06618	100.0
143.03465	1.6
143.06958	6.4
143.10741	0.8
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
53.00296	11.4
58.02966	7.0
59.01366	12.8
68.99809	3.1
70.67264	9.2
71.01377	49.3
82.02974	4.3
87.00868	12.8
96.99296	15.3
98.19921	3.6
99.00894	5.2
102.05609	5.0
112.98800	24.3
115.00333	4.5
124.98790	50.1
140.98303	10.0
142.99852	100.0
144.00188	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	15.5
54.73880	3.7
59.01367	14.3
63.05013	2.8
64.95664	2.6
68.99802	4.2
69.67693	2.8
71.01378	43.3
71.54714	4.9
80.99819	6.4
81.29048	2.8
83.01366	4.0
86.40690	2.8
87.00871	8.1
96.99318	14.9
112.98802	34.3
115.00357	8.0
124.98795	49.2
140.98296	11.0
142.99850	100.0
158.74536	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	135.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65926	0.7
52.13943	0.7
54.54637	0.7
59.01372	8.8
59.54690	0.7
59.73062	0.6
63.37084	0.7
70.65546	0.7
70.65891	1.5
71.01377	4.0
71.09515	0.6
72.99300	15.4
75.00866	100.0
76.01202	1.5
81.82677	0.7
82.55836	0.7
87.00866	5.8
89.02434	7.5
95.33807	0.6
114.28836	0.8
117.00758	1.0
117.01912	3.4
135.02985	35.3
136.03293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01869	0.3
65.99847	0.3
66.03484	0.7
67.01878	0.5
76.96852	0.2
79.95749	0.2
83.01369	0.4
93.03458	0.6
94.02948	0.3
94.03790	2.4
94.98083	0.3
95.01398	0.4
95.05006	0.5
102.91895	0.2
108.02166	48.3
109.02486	2.3
110.02517	0.3
111.00901	1.4
123.03262	0.3
124.01607	0.2
129.46481	0.2
136.00410	0.2
137.89163	0.5
138.01959	100.0
139.00354	1.1
139.02319	3.9
139.03908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91224	0.5
55.01879	1.3
56.78156	0.6
66.03466	1.6
69.52041	2.2
69.52464	2.0
79.95721	0.8
83.01384	1.0
93.03449	1.6
94.03770	6.3
94.98038	0.9
95.05032	1.5
108.02172	2.6
111.00858	3.7
114.88654	0.6
123.03259	45.6
124.03570	1.7
138.01927	6.1
138.02937	2.8
138.05600	100.0
139.00380	2.4
139.04028	2.6
139.05962	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	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01366	1.0
64.72701	0.9
71.01377	64.3
71.41296	1.1
72.01733	1.1
72.99300	15.5
87.00868	2.6
89.02454	7.9
92.02531	4.1
107.03629	16.3
108.47871	1.0
115.00364	100.0
116.00664	2.1
133.01414	28.5
133.05032	1.7
134.04718	63.4
154.85558	1.1
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
50.93604	0.3
63.93283	0.3
65.01455	0.8
68.02529	0.4
70.69114	0.9
75.00866	0.8
88.54638	0.4
92.02544	6.1
107.03636	24.6
108.03960	0.5
116.00668	1.1
130.28471	0.3
134.04726	100.0
135.03056	0.4
135.05226	3.2
141.18109	0.4
141.97388	0.4
149.35579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0299
Annotation	Threonate
Peak:m/z	Relative Intensity
51.65926	0.7
52.13943	0.7
54.54637	0.7
59.01372	8.8
59.54690	0.7
59.73062	0.6
63.37084	0.7
70.65546	0.7
70.65891	1.5
71.01377	4.0
71.09515	0.6
72.99300	15.4
75.00866	100.0
76.01202	1.5
81.82677	0.7
82.55836	0.7
87.00866	5.8
89.02434	7.5
95.33807	0.6
114.28836	0.8
117.00758	1.0
117.01912	3.4
135.02985	35.3
136.03293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01349	1.2
60.94382	1.0
71.01377	69.7
71.03260	1.7
71.03590	1.3
72.01708	2.0
72.99302	16.6
87.00851	3.2
89.02420	7.0
101.27050	1.0
114.39199	1.1
115.00363	100.0
116.00694	2.2
133.00453	2.3
133.01416	28.9
133.05057	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	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
54.54800	1.4
57.35068	1.2
60.06954	1.0
69.53065	4.4
69.53493	3.7
71.01377	68.9
72.01689	1.1
72.99304	18.3
81.94226	1.0
89.02455	8.8
115.00365	100.0
116.00708	2.8
133.01422	31.0
134.04716	2.8
154.33620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0302
Annotation	L-Aspartic Acid
Peak:m/z	Relative Intensity
69.82987	5.8
70.49421	1.1
71.01376	21.9
72.00903	2.5
72.99306	1.7
74.95541	1.3
88.04035	100.0
89.04357	1.8
98.39115	1.3
114.01928	6.1
115.00370	31.8
132.03003	27.7
133.01389	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	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
67.51680	0.8
70.27020	2.5
70.27374	1.9
71.01379	54.1
72.01701	1.1
72.99309	11.3
82.63859	0.9
89.02448	8.1
115.00367	100.0
116.00675	2.0
133.01424	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64973	0.7
57.35666	0.8
57.43558	0.7
59.01399	1.2
69.93551	1.5
69.93940	1.5
71.01381	60.4
72.01710	1.1
72.99310	14.9
78.28250	0.6
87.00880	2.4
89.02451	7.3
93.00811	0.7
93.01409	0.9
103.35580	0.6
115.00369	100.0
116.00697	2.8
133.01419	29.8
133.05040	2.0
134.01848	0.8
134.04747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0874
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.06219	0.7
53.84303	0.7
55.36875	0.8
57.03421	0.9
67.47725	0.9
69.93510	3.3
70.91808	0.8
71.01385	2.3
73.02946	6.2
84.08166	0.9
87.04527	2.4
88.04037	2.9
93.90837	0.8
114.01984	1.5
125.03915	0.9
127.21333	0.8
130.08736	100.0
131.03487	1.4
131.09073	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	121.0295
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
69.55669	1.7
73.31985	0.2
84.14072	0.2
91.01947	0.6
93.03452	1.9
94.02955	1.3
95.01366	0.8
108.02180	1.9
109.20224	0.3
121.02948	100.0
122.02460	1.1
122.03293	4.9
137.64424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0765
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
51.22345	5.7
54.76015	5.4
54.87106	5.6
59.01362	12.8
69.55034	37.5
98.19900	12.9
105.42132	6.9
109.06525	7.4
126.90426	11.7
127.07642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0194
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01863	11.6
55.52476	4.5
57.03450	55.8
58.02971	8.5
66.78468	3.6
67.01891	100.0
68.99817	4.6
70.21252	14.5
71.01377	6.4
83.01369	10.4
85.02941	17.5
88.04024	12.4
98.20022	5.6
129.01945	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	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67335	1.6
52.78725	1.3
54.68634	1.5
55.01855	3.6
57.03446	10.7
59.48064	1.5
61.93339	1.3
62.50811	1.4
62.97613	1.4
63.35386	1.6
67.01885	23.9
68.99809	5.2
70.93975	3.9
71.01373	5.4
72.99293	2.1
73.02947	2.7
83.01390	2.9
83.47553	1.4
85.02938	3.4
88.04042	3.0
100.86848	1.4
129.01930	5.8
129.37093	1.5
130.08733	100.0
141.72186	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	1195.6023
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01365	0.1
83.05021	2.1
85.59892	0.0
89.00336	0.1
89.77305	0.0
91.01886	0.5
93.03452	0.1
101.02426	0.1
107.01390	0.9
108.04562	0.1
109.02978	0.1
113.02434	0.1
117.03455	0.1
119.03439	0.1
121.02981	0.1
123.04501	0.2
125.07207	0.2
126.45737	0.0
131.05052	0.1
132.02167	0.5
133.02957	2.3
134.03668	0.0
135.00919	0.4
135.04504	0.5
141.03438	0.1
143.05058	0.1
143.08247	0.1
149.02461	0.1
151.00339	0.2
153.01968	0.1
154.04263	0.1
155.04994	0.2
156.05801	0.1
157.02895	0.5
157.06543	0.1
158.03767	0.0
159.04507	1.1
161.02394	0.1
167.05040	0.1
168.05905	0.1
169.06572	0.5
171.04518	0.2
173.06030	0.2
176.01118	0.1
180.05815	0.8
181.06584	1.3
182.03743	0.2
182.06813	0.1
183.04498	1.0
184.05043	0.1
195.04312	0.2
196.05275	0.6
197.06079	0.8
198.03278	0.1
199.03963	0.4
201.05542	1.1
202.05907	0.1
207.14998	0.2
208.13554	0.1
209.06039	0.2
211.04053	0.3
212.04715	0.1
213.05544	0.5
223.03972	0.3
224.04758	1.4
224.17645	0.6
225.05547	1.2
225.16060	3.2
226.02773	0.1
226.05920	0.1
226.16374	0.1
227.03531	0.3
237.05554	0.1
239.03491	0.8
239.07095	0.1
240.04300	0.6
241.05043	0.4
242.18733	0.2
250.15720	0.1
252.04254	0.1
253.05058	0.6
255.06650	0.1
265.05078	0.1
267.03003	0.8
268.03757	7.2
269.04526	100.0
270.04858	4.4
270.07886	0.1
271.06226	0.1
281.04556	0.2
283.06165	0.4
290.22293	0.1
291.06641	0.6
297.03998	0.1
309.21848	0.2
311.05600	4.3
312.05972	0.3
324.26379	0.1
333.23010	0.2
335.05591	0.4
341.29218	0.2
351.24103	0.1
353.06805	0.3
367.27148	0.5
413.08862	0.1
433.31836	0.4
450.34521	0.4
451.32867	3.0
452.33383	0.3
473.10846	1.1
474.11542	0.1
533.41034	0.1
535.38458	0.1
550.43457	0.4
559.39886	0.2
565.44415	0.2
593.43591	0.3
659.48767	1.0
660.48615	0.1
677.49634	39.9
678.49957	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	1183.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01380	0.1
83.05051	0.1
85.02927	0.1
89.00346	0.2
91.01905	0.5
93.03475	0.2
95.01392	0.1
95.05054	0.1
95.72757	0.0
101.02454	0.1
107.01385	0.8
109.02953	0.4
117.03455	0.1
121.02956	0.2
123.00880	0.6
123.04504	0.3
125.02436	0.2
131.05017	0.1
132.02161	0.6
133.02951	2.8
134.03745	0.2
135.00885	0.4
135.04524	0.5
137.02443	1.3
138.03189	0.1
139.00334	0.1
139.03999	0.1
141.03470	0.1
143.04991	0.1
149.02446	0.2
150.03178	0.1
151.00362	3.9
151.03990	0.2
152.01140	0.3
152.04768	0.4
153.01979	0.1
153.05615	0.1
153.07077	0.1
154.04156	0.1
155.05061	0.3
156.05820	0.2
157.02939	0.5
157.06544	0.1
158.03760	0.1
159.04520	1.4
161.02440	0.2
163.04018	0.1
164.04770	0.1
165.01913	0.2
165.05530	0.1
166.02705	8.9
167.03326	0.4
167.04913	0.1
169.06580	0.6
171.04532	0.2
173.02400	0.1
173.06067	0.2
175.04034	0.2
176.01154	0.1
177.01936	0.5
177.05507	0.1
178.02492	0.1
179.03590	0.1
180.05789	0.7
181.05075	10.6
181.06563	1.4
182.03746	0.2
182.05408	0.3
182.06870	0.1
183.04512	1.1
184.03743	0.1
190.02663	0.1
190.06361	0.1
191.03412	0.1
192.04268	0.2
193.05045	0.2
195.03094	0.1
195.04520	0.2
196.05292	0.6
197.06082	0.8
198.03104	0.1
199.04004	0.5
201.05580	1.1
203.03494	0.1
205.05083	0.1
205.08679	0.2
206.05846	0.1
207.04855	0.1
207.06667	0.2
208.05350	0.1
209.06105	0.3
211.04059	0.3
212.04720	0.1
213.05589	0.5
217.05028	0.1
219.06602	0.1
221.04497	0.1
223.03967	0.3
224.04807	1.4
225.05551	1.1
226.02716	0.1
226.06003	0.1
227.03499	0.5
237.05457	0.1
239.03470	0.7
239.07188	0.1
240.04259	0.6
241.05072	0.5
253.05070	0.6
254.05602	0.1
255.03110	0.1
255.06610	0.4
256.07031	0.1
257.04440	0.2
257.08356	0.1
265.05206	0.2
267.03027	0.7
268.01486	0.1
268.03754	7.1
269.04532	100.0
270.04861	5.5
270.07904	0.1
271.06110	0.2
279.06470	0.1
281.04562	0.1
283.06107	0.4
286.04889	0.1
291.06705	0.8
299.05652	0.1
301.07285	0.1
307.06000	0.1
311.05594	6.0
312.05792	0.4
316.09564	0.1
329.10291	0.1
335.05634	0.6
353.06540	0.3
359.11295	0.4
371.02115	0.1
371.15408	0.1
387.10855	2.3
388.11124	0.1
402.13171	1.6
403.13599	0.1
413.08701	0.1
417.15524	21.6
418.15897	1.8
473.10806	0.9
474.11240	0.1
561.19641	0.1
656.12262	0.1
677.49994	0.2
678.49829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25079	0.3
52.48452	0.4
55.01862	0.8
64.81738	0.4
65.20023	0.4
70.66399	0.4
70.66741	0.8
73.02943	100.0
74.03280	2.0
77.16808	0.4
99.00877	9.3
99.01527	0.6
99.92554	0.7
104.94620	0.4
106.84155	0.4
116.92851	1.7
117.01934	16.0
118.02269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03454	0.1
83.01393	0.3
89.03960	0.1
91.05522	0.2
93.03451	1.0
93.13649	0.1
95.01387	0.3
101.02451	0.2
107.01390	0.4
107.05062	0.2
109.02933	1.2
117.03458	2.5
119.05024	0.7
121.02958	0.4
123.04539	0.3
125.02447	0.2
131.04996	0.3
132.02168	0.3
133.02948	4.5
133.06604	0.4
134.03717	0.3
135.04517	2.3
136.41096	0.1
137.02423	0.4
139.03952	0.2
145.02986	0.4
147.04520	0.8
148.01616	0.2
149.02422	1.3
149.06079	0.4
150.03177	0.2
151.04012	0.5
155.04933	0.1
158.03618	0.2
159.04536	0.7
161.02434	1.9
161.06050	0.7
162.03162	0.3
163.00356	0.3
163.04010	1.5
164.01117	0.2
165.01866	0.3
165.05513	0.2
167.03525	0.1
171.04474	0.2
173.02412	0.3
173.06041	0.5
174.03236	0.2
175.03996	2.3
176.04471	0.1
177.01900	1.6
177.05551	1.6
179.03508	0.8
183.04482	0.2
185.02458	0.2
187.03981	0.5
188.01169	0.2
189.01881	0.8
189.05563	0.9
191.03473	1.8
193.05013	0.2
196.05209	0.2
197.06055	0.3
198.03192	0.2
199.04016	0.3
201.01923	0.7
201.05557	0.3
203.03506	1.8
204.04181	0.3
205.01376	0.5
205.05014	1.0
207.02936	0.2
210.06927	0.2
211.03952	0.2
211.07634	0.2
212.04849	0.2
213.05513	0.5
215.03537	0.6
217.01643	0.2
217.05052	0.7
217.06863	0.1
219.02982	0.2
221.04509	0.7
223.07698	0.4
224.04655	0.2
224.08354	0.3
225.05513	0.5
225.09212	0.2
226.06139	0.2
227.03441	0.6
227.07066	0.2
229.05046	0.4
231.03098	0.2
233.04483	1.3
235.02428	0.2
237.05530	0.4
238.06357	0.3
239.03419	0.2
239.07069	0.6
240.04248	0.2
240.08055	0.1
241.05058	0.6
243.02911	0.2
243.06602	0.3
245.04555	1.0
251.07086	0.4
253.05003	0.4
253.08681	0.5
254.05809	0.6
255.03030	0.3
255.06544	0.4
256.03839	0.2
256.06851	0.2
257.04559	0.4
259.02554	0.2
263.07285	0.1
265.05029	0.5
266.05795	0.4
267.06567	1.0
268.03836	0.2
268.07346	0.7
269.04480	0.5
269.07703	0.2
270.05338	0.2
271.02673	0.2
271.06131	0.2
275.05365	0.2
277.05081	0.1
278.06058	0.2
279.03238	0.2
279.06537	0.7
280.03723	0.2
281.04523	1.1
281.07883	0.3
282.05258	2.0
283.06088	3.3
284.03445	0.2
284.06595	0.3
285.04007	0.5
285.07312	0.2
293.04449	0.4
293.08115	0.4
294.05151	0.3
295.06085	3.8
296.06824	2.0
297.04062	1.8
297.07602	15.5
298.04822	5.9
298.08017	0.6
299.05518	2.1
306.05353	0.2
307.06067	1.7
308.06836	0.2
309.03998	1.1
309.07675	2.0
310.04834	1.0
311.05582	6.6
312.02686	0.3
312.06360	5.7
313.07129	6.4
314.04193	0.3
314.07544	0.4
319.06241	0.3
321.03931	0.3
321.07507	0.3
322.04764	0.5
323.05579	4.2
323.09341	0.3
324.05969	1.0
325.03604	0.4
325.07126	7.6
326.07654	0.3
327.05048	3.5
328.05798	2.6
335.05591	1.3
336.06128	0.2
337.03476	0.2
337.07117	2.4
338.04123	0.4
339.05066	8.4
339.08411	0.3
340.05457	0.6
341.06604	4.6
342.07181	0.2
344.05331	0.9
349.07034	0.2
351.05078	1.2
352.05695	0.2
353.06628	38.3
354.07047	2.7
355.04541	0.3
355.08224	0.9
356.05243	0.7
357.06119	1.2
363.04901	0.2
365.06650	3.9
366.03247	0.2
366.07327	0.2
367.04294	0.5
367.08252	0.6
369.06107	32.2
370.06528	2.1
371.07498	0.7
377.06622	0.6
379.04239	0.2
379.08392	0.3
381.06128	4.0
382.06479	0.2
383.07693	23.9
384.08118	1.6
391.08429	0.2
393.05890	0.3
395.07700	3.1
397.05481	0.4
397.09372	0.4
399.07175	27.8
400.07520	1.8
405.06165	0.2
407.07608	0.4
409.09344	0.3
411.07166	3.6
412.07471	0.2
413.08746	3.6
414.08929	0.2
419.07791	0.4
423.07129	1.0
424.08069	0.2
425.08707	1.7
429.08197	6.0
430.08575	0.5
435.07001	0.5
437.08771	0.5
441.08182	2.4
443.09787	0.5
453.08188	1.4
455.09766	1.0
459.09232	2.7
460.09708	0.3
465.08310	0.2
467.09912	0.2
471.09375	2.2
471.57608	0.2
472.09763	0.2
473.10873	7.9
474.11337	0.7
483.09274	0.3
485.10922	0.4
489.10358	8.8
490.10706	0.7
501.10406	0.5
503.11972	2.4
504.12363	0.3
515.11853	0.3
519.11407	1.6
533.13354	0.2
539.61713	0.2
543.79181	0.1
561.12549	0.7
575.13965	0.4
578.12573	0.2
579.13513	100.0
580.13849	8.0
593.15063	94.0
594.15417	8.2
1049.81775	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0765
Annotation	dimethyl ethyl acetic acid
Peak:m/z	Relative Intensity
56.91199	1.1
59.01382	2.0
68.99554	4.2
70.30432	5.0
71.01389	4.6
71.05009	4.6
79.97237	1.2
89.60503	1.2
97.93126	1.6
98.19936	1.5
114.93384	6.1
115.03999	3.0
115.07640	100.0
116.02568	1.6
116.07153	3.2
116.07964	3.0
120.35781	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	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
59.01368	1.0
62.49810	0.3
71.01381	0.7
71.05020	0.3
71.53614	0.3
71.53983	0.4
73.02943	100.0
74.03288	2.2
83.28863	0.3
97.38127	0.3
99.00874	9.5
99.29935	0.3
99.92579	1.6
116.92857	5.9
117.01935	19.1
117.92882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01875	0.5
57.77634	0.5
69.95278	1.7
71.01380	0.5
73.02943	100.0
74.03278	2.5
80.70916	0.4
83.80616	0.5
99.00876	8.5
117.01939	18.3
124.63394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70027	6.5
59.01383	44.0
63.90174	7.4
70.02060	18.3
70.02415	14.3
71.01375	100.0
72.04534	6.4
80.21993	6.7
87.00874	14.7
103.41591	6.8
115.00339	32.6
116.07176	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	115.0402
Annotation	5-Oxopentanoate
Peak:m/z	Relative Intensity
59.01378	46.3
69.74832	34.2
71.01378	68.0
71.05017	74.9
71.50161	5.6
73.04063	13.1
74.02475	55.7
87.00845	12.9
87.04533	13.4
97.02922	10.3
97.93135	14.4
98.20596	7.6
114.93407	35.9
115.00379	31.2
115.04019	100.0
115.05914	13.2
116.02492	12.7
116.05073	10.7
116.07166	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	1149.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95733	12.2
85.02929	0.1
94.98076	0.1
96.96007	100.0
97.93130	0.0
97.95940	0.3
99.00917	0.0
101.02457	0.0
113.02434	0.1
125.02443	0.1
194.99776	0.0
222.29655	0.0
286.97150	0.0
370.73654	0.0
400.42072	0.0
532.45685	0.0
651.93536	0.0
700.36029	0.0
775.23615	0.0
783.23138	0.0
920.48804	0.0
956.41437	0.0
1051.55029	0.7
1052.55505	0.2
1068.86243	0.0
1089.49829	0.1
1142.60498	0.0
1149.51270	0.6
1150.51758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
59.01364	11.5
71.01002	8.0
71.01374	100.0
71.30894	7.2
87.00861	7.9
87.29166	3.9
112.53095	3.9
115.00342	14.8
115.95560	3.9
116.07146	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	114.0197
Annotation	Maleamate
Peak:m/z	Relative Intensity
57.37322	2.0
59.01378	4.8
70.02977	100.0
70.31825	2.0
71.01372	17.9
71.03329	2.0
71.05025	9.3
71.58797	3.2
72.00900	5.3
73.11330	2.5
85.02937	2.5
86.03275	3.6
97.93126	2.1
114.01962	13.0
114.02695	3.8
114.05596	27.6
114.93423	12.7
115.04008	6.6
115.07591	2.2
117.10636	2.4
123.98445	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	1137.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	0.7
83.01383	2.3
83.05000	0.2
84.02155	0.3
85.02944	7.3
86.00084	0.4
87.00871	2.7
87.04507	0.3
89.02442	1.7
95.01385	2.4
96.96008	0.8
97.02341	0.2
97.02946	3.6
99.00874	5.9
99.04498	0.5
101.02438	5.1
103.04002	0.3
109.02943	0.4
111.00887	0.4
112.01645	0.2
113.02442	5.0
114.93426	0.2
115.00337	0.2
115.03997	0.7
119.03526	0.5
125.01521	0.3
125.02441	5.2
127.03990	1.2
129.01898	0.2
131.03491	1.2
137.02368	0.2
139.00345	0.2
142.02695	0.1
143.03502	1.8
145.05070	0.7
154.15117	0.1
157.01427	0.5
159.02995	0.1
161.04500	0.5
163.06126	0.2
187.06078	0.2
205.07137	1.5
247.08171	0.6
263.75760	0.1
289.09293	0.4
315.95129	0.1
439.35791	0.2
465.12070	0.1
465.37158	0.3
537.39636	0.2
554.77917	0.1
565.38647	0.8
566.39056	0.2
567.40839	0.2
635.42987	0.4
696.21478	0.1
717.45923	0.3
725.42761	0.4
863.51776	1.3
989.54803	1.2
990.55493	0.2
1033.53320	0.6
1051.55042	1.3
1052.54358	0.3
1075.54834	1.2
1076.55847	0.2
1093.55762	100.0
1094.56104	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
78.92065	0.1
81.03436	0.7
83.01372	1.7
83.05021	0.3
84.02171	0.2
85.02943	7.3
86.00106	0.3
87.00869	2.5
87.04500	0.5
88.49095	0.2
89.02432	1.5
95.00822	0.2
95.01387	1.8
96.96021	0.2
97.02937	3.8
99.00868	6.2
99.04498	0.4
101.02430	5.3
103.03999	0.2
107.01350	0.1
109.02946	0.4
111.00867	0.3
112.01654	0.3
113.02442	5.3
115.00333	0.2
115.03976	0.6
119.03472	0.6
125.01521	0.2
125.02437	5.0
126.02746	0.2
127.04021	1.0
129.01964	0.2
131.03499	1.2
139.00327	0.2
143.03497	1.5
145.05077	0.9
153.19199	0.1
157.01390	0.6
161.04521	0.3
187.06099	0.2
196.12236	0.1
205.07169	1.5
225.55862	0.2
241.30997	0.1
247.08202	0.4
289.09238	0.3
465.36972	0.3
469.28534	0.1
563.40509	0.2
565.39130	0.9
566.39142	0.2
581.09253	0.1
635.43158	0.6
707.42401	0.2
717.45740	0.2
725.42389	0.5
743.45215	0.1
863.51337	0.6
864.51343	0.2
989.55151	0.4
990.55450	0.2
1033.53357	0.4
1034.54443	0.2
1051.54700	1.4
1052.53760	0.2
1075.54846	1.3
1093.55750	100.0
1094.56042	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	113.0609
Annotation	epsilon-Caprolactone
Peak:m/z	Relative Intensity
55.01871	1.4
57.03447	7.7
67.01873	0.5
68.99570	100.0
69.03469	3.1
69.99903	0.8
70.86304	1.1
71.01384	2.0
72.99284	0.5
83.01391	0.9
84.02159	3.0
85.02944	20.3
86.03291	1.1
92.04249	0.4
107.57742	0.4
112.98582	3.5
113.02446	8.6
113.03585	1.7
113.06082	11.5
114.01977	0.6
114.05610	4.3
114.06342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.7117
Annotation	Unknow
Peak:m/z	Relative Intensity
79.86003	0.1
81.03449	3.1
83.01379	4.3
83.05021	7.1
84.05347	0.1
85.02937	1.7
87.00870	0.3
89.02441	1.6
93.03461	0.1
95.01363	0.4
96.27644	0.1
96.96009	0.2
97.02939	0.3
97.15720	0.1
99.00878	0.2
99.04491	0.1
101.02436	12.6
107.06137	0.1
108.04557	0.2
109.02933	0.1
111.00920	0.1
113.02447	5.0
119.03490	1.4
125.02455	0.5
125.07190	0.6
126.05616	0.3
127.03995	0.3
131.03490	1.2
143.03490	1.6
143.08235	0.2
145.05031	0.4
147.02983	0.2
149.04547	3.1
155.03477	0.4
161.04543	5.2
187.79118	0.1
203.05634	0.7
207.15034	0.8
221.06628	2.4
222.15797	0.1
224.17659	1.5
225.16063	9.4
226.16333	0.3
242.18770	0.4
250.15579	0.2
268.16571	0.2
269.04556	1.6
270.04816	0.3
309.21719	0.4
324.26569	0.4
333.23004	0.3
341.29010	0.5
351.24139	0.2
367.27094	1.3
368.27206	0.1
385.28094	0.2
406.38293	0.1
407.33435	0.1
413.21765	0.4
433.31754	0.9
435.07742	0.1
445.71628	0.1
450.34625	0.9
451.32886	7.8
452.33224	0.7
476.32803	0.1
535.38794	0.1
550.43225	1.1
551.43671	0.1
559.39429	0.5
565.44391	0.4
567.45471	0.1
593.43994	0.8
617.24683	0.1
659.48688	2.7
660.48834	0.3
677.49615	100.0
678.49896	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	113.0609
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
55.01865	4.7
57.03449	32.9
67.01864	1.9
68.99568	72.6
69.03458	19.0
69.78884	6.7
69.79313	4.6
70.79459	2.1
71.01373	7.2
72.00896	6.1
72.99309	3.4
75.71696	2.0
79.04679	2.0
82.41989	1.8
83.01377	5.2
84.02159	11.8
85.02947	100.0
86.02485	2.8
86.03281	3.3
91.30406	2.1
91.63213	2.0
95.01361	4.5
97.81407	1.9
112.98643	2.8
113.02457	32.8
113.03579	6.1
113.06078	30.0
114.01980	4.0
114.05613	22.3
114.06363	2.4
115.01169	1.8
133.49240	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	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.1
57.03452	33.2
68.99569	100.0
69.03440	8.7
70.43654	12.2
71.01400	8.5
72.99326	3.9
77.18660	3.3
77.19662	4.0
77.59803	2.8
80.07265	3.3
80.92883	3.2
84.02171	10.4
85.02943	77.5
112.98751	5.0
113.02453	29.1
114.05631	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	1125.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
77.70045	0.1
77.91743	0.1
79.95731	11.0
85.02946	0.1
87.00871	0.1
95.01441	0.1
95.97584	0.1
96.96004	100.0
97.95945	0.3
99.00872	0.1
101.02429	0.1
113.02422	0.1
123.00883	0.1
130.44255	0.1
136.77971	0.1
233.15797	0.1
740.75989	0.1
1027.54773	0.4
1028.56042	0.1
1049.53503	0.2
1065.49390	0.5
1066.49512	0.1
1081.56604	0.2
1107.49438	0.4
1108.50269	0.1
1125.50903	0.6
1126.52368	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	1127.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01876	0.1
83.01371	0.2
93.03461	0.7
95.01395	0.2
101.02457	0.2
107.01383	0.1
117.03457	2.5
119.04997	0.4
121.02996	0.2
131.04993	0.1
133.02936	0.1
133.06549	0.2
135.04530	1.1
136.82463	0.1
137.02534	0.2
145.02965	0.2
147.04500	0.5
149.02437	0.5
149.06090	0.2
151.03966	0.1
159.04507	0.4
161.02405	1.3
161.06007	0.2
163.03960	0.8
167.80756	0.1
171.04454	0.1
173.02454	0.2
173.06071	0.2
175.04013	0.9
177.01907	0.3
177.05579	0.9
179.03485	0.4
185.02425	0.2
187.04013	0.1
189.01938	0.3
189.05522	0.5
191.03429	1.0
193.05092	0.1
197.06013	0.2
199.04034	0.1
202.02728	0.1
203.03514	0.8
205.05049	0.4
209.06050	0.1
209.09581	0.1
213.05666	0.2
215.03502	0.2
217.05011	0.3
221.04449	0.5
223.07587	0.1
224.08214	0.2
225.05533	0.3
225.09261	0.2
229.04982	0.1
233.04440	0.6
237.05585	0.2
238.06316	0.3
239.07191	0.2
241.04932	0.1
245.04536	0.3
250.62468	0.1
251.07198	0.4
253.05060	0.1
253.08661	0.4
254.05806	0.2
255.06534	0.2
266.05539	0.1
267.06610	0.4
268.07300	0.6
269.04459	0.2
279.06549	0.3
281.04568	0.6
281.07932	0.1
282.05292	1.4
283.06073	2.6
284.06476	0.1
293.04471	0.2
293.07913	0.2
294.05350	0.2
295.03607	0.1
295.06082	3.2
296.06839	1.8
297.07651	12.9
298.08099	0.6
307.06116	1.3
308.06772	0.4
309.07669	1.5
311.05560	2.3
314.04276	0.3
314.28073	0.1
321.04013	0.2
322.04776	0.4
323.05603	3.0
324.06015	0.5
325.07132	5.0
326.07816	0.3
328.05872	2.6
333.07257	0.1
335.05597	1.3
336.06165	0.2
337.07153	2.4
338.07724	0.2
339.05072	0.2
341.06665	0.4
347.05768	0.2
349.07141	0.3
351.04910	0.5
351.08810	0.1
353.06631	28.0
354.07010	1.5
355.08139	0.7
356.05338	0.6
365.06628	3.5
366.07053	0.2
367.08258	0.4
377.06689	0.2
379.08182	0.3
381.06140	0.4
383.07684	19.2
384.08051	1.0
386.06302	0.2
389.06583	0.2
395.07684	2.4
397.09283	0.3
407.07657	0.6
413.08728	3.3
414.09695	0.2
419.07492	0.2
425.08817	1.3
426.08722	0.1
437.08591	0.5
443.09799	10.9
444.10129	0.6
455.09821	1.6
473.10840	7.0
474.10965	0.4
485.10855	0.6
487.12311	0.1
503.11816	0.4
515.11938	0.2
527.11841	0.2
545.12982	0.6
563.14001	100.0
564.14337	7.5
638.11096	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	1119.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95869	0.0
79.95731	11.7
85.02937	0.1
94.98085	0.1
95.95296	0.0
95.97573	0.1
96.96004	100.0
97.09844	0.0
97.93113	0.0
97.95956	0.2
98.20611	0.0
113.02467	0.0
114.93340	0.1
125.02383	0.0
217.81255	0.0
244.96236	0.0
451.56326	0.0
527.43011	0.0
588.37695	0.0
645.06213	0.0
1021.53802	0.5
1022.54053	0.1
1053.14172	0.0
1059.49341	0.1
1083.58105	0.1
1119.50366	0.4
1120.49548	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9857
Annotation	Trifluoroacetic acid
Peak:m/z	Relative Intensity
57.03447	0.9
57.06462	0.3
68.99567	100.0
69.93027	0.9
69.93419	0.5
69.99889	0.8
72.99297	0.9
73.99596	0.3
85.02940	1.5
88.21866	0.3
98.19984	0.6
112.98554	3.6
113.02452	0.7
113.03571	0.4
114.05607	1.5
128.71373	0.3
128.80693	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	54.7
93.31319	0.4
96.96955	3.4
126.37849	0.4
141.01627	0.4
150.98029	0.7
152.99577	62.3
171.00633	17.0
171.02118	0.9
172.01035	0.4
174.79866	0.4
180.97906	0.3
227.03235	3.4
245.04289	73.7
246.04625	1.0
253.21704	36.6
254.22090	1.5
320.09302	0.5
481.25681	100.0
482.26062	6.6
515.10797	0.4
682.39954	0.4
795.22876	1.2
869.25952	0.4
887.28101	0.4
895.45288	0.7
1123.48938	27.5
1124.49146	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	1107.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03449	0.5
83.01381	1.5
83.05058	0.1
84.02148	0.2
85.02947	7.2
86.00109	0.2
87.00877	2.2
87.04516	0.4
89.02441	0.6
95.01390	1.2
96.95980	0.2
97.02945	3.6
98.03246	0.1
99.00877	6.2
99.04522	0.4
101.02431	1.4
103.04005	0.3
109.02945	0.5
111.00854	0.3
112.01664	0.2
113.02450	3.8
115.04016	0.7
115.73051	0.1
125.02444	6.8
126.02814	0.1
127.04014	0.7
131.03510	1.3
139.00290	0.3
143.03503	1.3
145.05052	0.4
151.32300	0.1
157.01395	0.4
163.06154	0.2
187.06129	0.1
194.09972	0.1
205.07176	1.0
223.13237	0.1
247.08218	0.5
364.51782	0.1
535.41498	0.2
565.38715	0.8
567.40814	0.2
635.43292	0.4
681.43756	0.4
707.42053	0.2
725.43378	0.4
833.50385	0.8
875.48285	0.2
959.52661	0.3
1003.52783	0.5
1021.53448	1.2
1022.54492	0.2
1045.53503	0.8
1063.54749	100.0
1064.55139	18.6
1107.56165	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01878	12.5
55.90006	0.8
63.99110	0.6
67.01889	4.5
68.02200	0.7
69.18623	7.6
71.01376	2.7
78.95901	100.0
83.01384	42.2
84.01732	1.4
93.03442	0.9
110.89014	0.7
110.89899	1.5
110.97581	2.4
110.98527	2.9
111.00883	16.9
111.01979	4.2
112.01205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.543
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02652	0.1
81.03443	0.1
83.01382	1.3
84.02162	0.1
85.02948	5.7
85.17619	0.1
86.00089	0.5
87.00876	2.7
87.04520	0.9
89.02445	2.0
95.01383	1.5
96.95998	0.3
97.02950	2.6
98.19850	0.3
99.00880	4.6
99.04516	0.1
101.02442	4.4
103.04005	0.8
111.00840	0.1
112.01641	0.2
113.02447	4.5
115.00320	0.1
115.04010	1.0
119.03473	0.7
125.02444	4.4
127.04018	0.3
129.01897	0.1
131.03506	2.2
139.00366	0.2
139.03871	0.1
142.01183	0.1
143.03494	2.2
145.05043	0.4
157.01382	0.4
159.02991	0.1
161.04541	0.4
163.06136	0.7
205.07143	1.3
230.47725	0.1
272.09653	0.1
299.53558	0.1
352.21631	0.1
439.35876	0.1
451.02890	0.1
453.53873	0.1
465.37363	0.2
565.38831	0.8
567.40454	0.2
635.43268	0.3
677.84802	0.1
707.41638	0.1
725.42511	0.3
856.28455	0.1
863.50555	0.1
951.53314	0.2
1033.53857	1.1
1051.54749	100.0
1052.55029	16.4
1114.55066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03450	0.5
83.01383	1.5
83.05023	0.1
84.02150	0.2
85.02946	7.8
86.00088	0.4
87.00873	2.2
87.04483	0.5
89.02446	0.6
91.89426	0.1
95.01379	1.5
96.95989	0.3
97.02943	4.4
99.00875	6.8
99.04501	0.2
101.02450	1.8
103.04017	0.2
109.02941	0.3
111.00864	0.5
111.04520	0.1
112.01630	0.1
113.02438	4.1
115.00364	0.2
115.04008	0.8
125.02437	6.3
127.04012	0.7
131.03490	1.5
137.02345	0.1
139.00343	0.2
143.03481	1.3
145.05025	0.4
157.01410	0.4
163.06136	0.1
187.06148	0.3
189.33324	0.1
205.07144	1.3
223.07419	0.1
247.08241	0.5
289.09210	0.2
383.57672	0.1
439.35956	0.2
465.37311	0.3
481.10095	0.1
565.38934	1.1
567.40240	0.3
635.43463	0.3
681.43536	0.4
687.44739	0.1
707.41046	0.2
725.42767	0.3
833.50549	1.1
899.50336	0.1
959.54364	0.4
963.53253	0.2
1003.52826	0.6
1021.33429	0.2
1021.53564	1.5
1022.54443	0.2
1045.53284	0.9
1046.52905	0.1
1063.54724	100.0
1064.55090	14.5
1069.55640	0.2
1120.57849	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	1099.568
Annotation	Ciwujianoside D1
Peak:m/z	Relative Intensity
80.63223	0.2
83.01382	1.4
84.02120	0.3
85.02947	6.8
86.00095	0.6
87.00871	4.2
87.04507	0.9
89.02448	2.3
95.01385	13.8
96.95992	1.0
97.02933	1.7
98.95583	0.3
99.00873	7.8
99.04496	0.4
101.02439	5.6
103.04001	1.0
111.00858	0.8
112.01636	0.3
113.01696	0.5
113.02438	4.6
115.00359	0.3
115.04028	1.2
119.03511	0.7
123.00880	13.9
125.02418	0.8
127.04052	0.4
129.01884	0.2
129.55006	0.2
131.03505	2.5
133.31776	0.2
140.01160	0.3
141.01909	1.0
143.03493	3.0
145.05026	0.5
157.01437	0.5
161.04533	0.5
163.06152	0.7
205.07112	1.6
239.64702	0.2
439.35785	1.2
535.42834	0.3
546.86151	0.3
559.35876	0.3
755.44043	0.3
925.51959	1.4
951.53503	0.7
953.51276	0.8
1049.52930	3.1
1050.51929	0.5
1055.58093	1.2
1063.55762	1.6
1064.55042	0.4
1067.54175	0.7
1081.55786	100.0
1082.56140	16.7
1099.56628	7.1
1100.56677	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	1099.5694
Annotation	Ciwujianoside D1
Peak:m/z	Relative Intensity
76.73283	0.2
76.91740	0.2
81.03456	0.3
83.01386	1.3
83.04984	0.2
85.02946	6.5
86.00091	0.7
87.00871	4.2
87.04525	0.9
89.02434	1.8
95.01388	9.9
96.01712	0.2
96.96005	0.7
97.02960	1.6
99.00878	7.1
101.02438	4.7
103.04030	0.7
111.00872	0.7
112.01669	0.3
113.01710	0.4
113.02448	5.2
115.04008	1.3
119.03475	0.7
123.00883	12.6
124.01247	0.2
125.02444	0.9
131.03491	2.6
137.02487	0.2
139.00342	0.2
140.01181	0.4
141.01921	0.8
143.03510	2.6
145.05031	0.7
155.03551	0.4
157.01387	0.3
159.03032	0.3
161.04495	0.2
163.06125	1.0
172.73575	0.2
205.07155	1.3
439.35721	1.2
466.08755	0.2
509.40390	0.3
925.51599	0.7
935.52393	0.3
1049.52966	2.0
1050.53540	0.5
1055.58447	1.1
1063.54211	1.6
1064.54504	0.3
1081.55798	100.0
1082.56201	15.9
1099.57129	1.9
1100.57275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95733	9.8
95.97602	0.1
96.96007	100.0
97.95947	0.2
99.00879	0.2
113.02458	0.1
118.96628	0.1
226.82581	0.1
235.73764	0.1
390.89105	0.1
642.99750	0.1
665.32813	0.1
775.39166	0.1
997.54620	0.5
998.54150	0.1
1035.48560	1.2
1036.49231	0.2
1045.08325	0.1
1077.48572	0.2
1095.50757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01373	3.0
85.02944	12.6
86.00097	1.2
87.00869	6.8
87.01373	0.5
87.04502	1.9
89.02444	6.0
94.12913	0.3
95.01379	3.1
96.95994	0.6
97.02962	0.9
99.00876	8.7
101.02436	12.6
103.04022	1.2
111.00892	0.6
111.23554	0.3
112.01670	0.5
113.02447	8.5
114.79472	0.3
115.00358	0.6
115.03993	1.5
119.03513	1.2
122.63590	0.3
125.02451	0.3
125.32680	0.3
129.01933	0.4
131.03485	3.5
139.00381	0.5
143.03496	4.3
145.05051	0.7
157.01370	0.3
161.04561	0.4
163.06108	1.2
205.07140	1.9
247.08192	0.4
523.37927	3.2
523.62616	0.3
524.38013	0.5
593.41974	1.2
637.40692	0.4
662.59009	0.3
793.45184	0.4
891.49597	0.4
908.50360	0.4
991.52625	1.4
1009.53735	43.8
1010.54083	6.7
1063.54016	0.4
1081.55908	2.3
1082.55945	0.5
1099.56836	100.0
1100.57007	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	1093.6467
Annotation	Unknow
Peak:m/z	Relative Intensity
78.67859	0.4
78.95901	6.3
96.96004	1.1
107.56042	0.3
110.62748	0.3
121.45912	0.4
152.99564	1.6
168.04282	1.7
201.76744	0.4
224.06917	1.1
233.22638	0.7
242.07909	3.4
259.20642	0.6
275.19992	0.5
277.21698	98.7
278.22055	4.9
307.28677	0.3
446.16165	0.4
502.29373	100.0
503.29761	6.4
517.25293	0.7
576.33020	4.9
577.34204	0.5
929.47778	0.4
966.10999	0.4
1061.53003	0.5
1093.56616	0.5
1134.26807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
80.95502	0.1
83.01360	0.1
91.01882	0.1
93.03406	0.1
94.29288	0.1
101.02447	0.1
107.01358	0.2
108.02142	0.1
108.10352	0.1
113.02415	0.1
121.02975	0.1
123.00002	0.1
132.02089	0.1
133.02945	0.1
135.00902	0.6
136.01633	0.1
137.02452	0.1
145.02905	0.1
147.00887	0.2
148.01656	1.3
149.02419	0.2
150.03207	0.2
151.00349	0.3
153.01927	0.1
156.05769	0.1
158.03696	0.4
161.02374	0.1
163.03963	0.1
165.05573	0.1
170.03728	0.1
172.05334	0.1
175.03958	0.1
176.01141	0.5
183.04489	0.3
184.05244	0.2
187.04005	0.2
188.04774	0.1
189.01830	0.1
195.04541	0.2
196.05309	0.1
198.03326	0.1
199.04066	0.4
200.04791	0.5
211.03964	1.3
212.04764	1.1
214.02707	0.3
215.03487	0.1
216.04195	0.2
223.03963	0.3
223.05949	0.1
224.04848	0.1
225.05658	0.2
227.03473	2.8
228.04250	0.7
239.03508	1.0
240.04230	0.7
241.04979	0.1
242.02122	0.2
245.89905	0.1
252.04044	0.1
253.05238	0.1
254.05621	0.1
255.02957	4.5
256.03714	1.8
256.06454	0.1
258.81631	0.1
267.03033	0.7
268.03699	1.0
269.04538	0.8
270.05371	0.7
271.05624	0.1
280.03976	0.1
283.02512	4.3
283.06009	0.8
284.03235	56.1
285.03574	2.5
295.06009	0.1
297.04102	1.7
298.04816	3.5
299.05576	100.0
300.05911	4.3
301.06989	0.1
306.05243	0.4
308.03073	0.1
311.05658	0.2
312.06409	0.1
313.07098	0.5
321.07620	0.9
323.05435	0.2
326.04352	0.7
327.05124	0.1
339.04785	0.1
341.06628	11.4
342.07047	0.5
350.04205	0.2
365.06638	0.9
369.58856	0.1
383.07718	0.8
488.09750	0.2
503.04855	0.1
503.11969	1.8
504.12698	0.1
689.50519	0.1
752.58954	0.1
901.79529	0.1
1072.32788	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	1093.246
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03955	0.8
79.01884	0.6
85.02907	0.5
89.02431	0.4
93.03457	1.7
101.02444	0.4
105.03451	0.7
107.01371	0.3
109.02921	0.2
117.03465	7.9
119.05025	1.1
121.02956	1.5
123.04481	0.4
125.02438	0.3
133.02954	0.3
135.00963	0.2
135.04501	2.2
137.02422	0.5
145.02905	0.3
147.04483	0.5
147.38960	0.2
148.01591	0.4
149.02454	2.0
149.06055	0.2
151.00369	0.3
151.03963	0.5
159.04526	1.7
161.02431	4.3
161.06000	0.2
162.03201	0.4
163.00365	0.7
163.04008	3.0
165.01872	0.4
169.06583	0.3
173.02461	0.5
175.03952	1.3
177.01949	1.0
177.05537	0.8
179.03494	0.8
181.06532	0.3
183.04422	0.3
183.08089	0.2
185.02383	0.6
187.04047	0.4
189.01953	1.4
189.05571	0.3
190.02646	0.2
191.03487	1.4
192.03265	0.2
193.01358	0.4
193.06499	0.3
196.05370	0.3
197.06050	0.6
201.01910	0.2
203.03468	1.6
205.01407	0.3
205.04984	0.5
207.03015	0.3
209.06058	0.4
211.07616	0.7
213.05528	0.2
215.03516	0.2
215.07130	0.6
215.23343	0.2
217.01344	0.3
219.03033	0.3
221.04526	0.3
223.07555	0.4
224.04820	0.7
224.08583	0.2
225.05524	0.5
229.01300	0.3
231.02933	0.5
235.07602	0.2
237.05515	0.6
239.03363	0.2
239.07140	1.4
241.05099	0.3
243.06711	0.3
251.07082	0.7
253.04999	0.8
254.05594	0.5
255.06697	0.3
265.05045	0.5
267.06555	0.9
268.03769	4.6
268.07101	0.4
269.04523	9.3
270.04807	0.5
279.06558	0.5
281.04547	4.6
282.05261	2.9
283.06097	33.3
284.06409	1.5
293.04468	2.3
294.05280	0.4
295.06085	6.6
296.06802	1.7
297.07669	7.9
298.07965	0.2
307.06116	2.1
308.03354	0.3
309.03989	0.9
309.07712	0.8
311.05582	63.0
312.05975	2.7
314.04297	0.8
321.04083	0.4
321.07550	0.3
322.04816	0.4
323.05603	9.8
324.05969	1.0
325.07153	3.3
328.05853	1.3
333.04373	0.2
335.05640	1.2
337.03482	0.2
337.07245	0.9
339.05115	1.4
339.08716	0.3
341.06644	9.5
342.06808	0.4
349.07135	0.9
351.05048	4.8
351.09015	0.2
352.05743	0.6
353.06635	19.7
354.07034	1.0
356.05447	1.5
363.05090	0.9
365.06427	1.2
367.04202	0.4
367.08182	1.2
369.06097	6.3
369.10742	0.3
370.06491	0.4
377.06635	0.4
381.06146	0.7
383.07706	3.8
393.05698	0.4
393.10220	0.3
395.07706	0.5
397.09290	0.3
399.07028	1.0
409.09192	0.8
413.08752	13.4
414.09058	0.8
419.07727	0.5
431.09732	0.8
437.08673	1.5
447.09259	0.3
455.10001	1.3
471.09323	1.6
472.10040	1.0
473.10861	100.0
474.11212	5.3
476.09528	0.7
483.09052	0.4
485.10730	0.2
489.10355	2.8
490.10278	0.2
517.09814	0.4
529.13556	0.2
531.15057	0.4
545.13025	2.8
557.12793	1.3
575.14020	55.5
576.14423	4.1
586.46973	0.2
617.15070	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
82.55618	0.2
85.02979	0.2
89.02447	0.2
96.95974	0.2
98.19930	0.4
101.02389	0.2
109.02946	1.3
117.03452	0.6
121.02940	0.2
123.00888	0.2
123.04473	0.2
125.02429	0.3
131.05074	0.2
132.02209	0.4
133.02950	5.5
134.03723	0.4
135.04549	0.9
137.02448	0.2
139.14232	0.2
147.04492	0.4
149.02438	0.9
149.06050	0.2
151.04013	0.4
159.04628	0.3
161.02419	0.8
162.03206	0.2
163.03993	0.7
165.01938	0.4
171.11433	0.2
173.02452	0.4
174.03227	0.3
175.04002	2.3
175.07500	0.2
177.01929	1.6
177.05560	0.5
179.03497	0.4
185.02357	0.3
187.03932	0.4
189.01918	0.4
189.05606	0.3
190.02679	0.2
191.03499	0.5
193.01488	0.2
193.04990	0.3
199.03954	0.2
201.01979	1.3
203.03465	1.4
205.01379	1.1
205.04996	0.2
207.02953	0.6
211.03906	0.3
213.01930	0.2
213.05475	0.3
215.03438	0.3
217.05023	0.3
219.02914	0.4
224.04790	0.3
225.05531	0.3
226.02852	0.2
227.03473	0.5
229.05016	0.2
231.02953	0.8
233.00858	0.2
233.04475	0.4
235.02365	0.3
239.03371	0.2
239.07076	0.7
241.04936	0.5
243.02951	0.3
245.04434	0.3
249.03954	0.7
252.04280	0.5
253.05034	4.7
254.05490	0.8
255.02945	0.5
255.06499	0.5
261.04013	0.2
265.05051	0.9
266.05750	0.3
267.06525	1.1
268.03680	0.3
269.04550	0.7
272.07391	0.2
277.05194	0.2
279.05078	0.4
280.03766	0.2
281.04529	0.7
282.05276	0.7
283.05997	1.6
284.03339	0.3
285.04150	1.1
285.07007	0.2
293.04459	0.7
295.03006	0.2
295.05960	1.2
296.03070	0.2
297.04001	2.6
297.07614	1.2
298.04819	2.8
299.05573	4.9
307.06076	0.3
309.04092	1.6
309.07379	0.3
310.04782	1.5
311.05576	5.6
312.06152	2.0
313.03934	0.2
313.07135	4.4
321.03784	0.3
323.02228	0.3
323.05563	1.8
324.02515	0.4
324.05975	0.3
325.03470	0.8
325.07147	1.1
326.04294	0.3
327.05032	5.8
328.05579	0.4
330.03494	0.2
335.05603	0.3
337.03384	0.7
337.07364	0.6
338.04333	1.3
339.05054	14.1
340.05505	0.7
341.06628	4.2
342.03494	0.2
342.07169	0.3
342.13455	0.5
343.04626	0.4
344.05063	0.3
349.03366	0.2
351.04892	1.2
353.02655	0.4
353.06662	4.0
355.04565	1.7
355.08441	0.3
356.05103	0.2
357.06122	2.4
363.05099	0.3
365.06534	0.6
366.03568	0.2
367.04529	8.9
368.04764	0.5
369.06125	8.9
370.02786	0.2
371.07831	1.2
379.04492	0.6
381.06174	0.8
383.07867	1.4
385.05624	19.8
386.06088	0.9
388.04083	0.2
395.07877	0.3
397.05554	6.2
398.05838	0.2
399.07120	2.4
407.07877	0.3
409.05292	0.3
411.07224	0.4
413.08798	0.4
415.06677	16.1
416.07068	0.9
427.06699	1.6
429.08267	0.2
439.06552	0.5
441.07907	0.3
445.07608	0.8
447.09430	0.3
457.07727	0.7
459.09277	0.6
469.07599	0.7
471.09216	0.8
473.10889	2.5
487.08810	4.0
488.09039	0.2
489.10336	2.7
501.10666	0.2
503.11676	0.3
505.09845	100.0
506.10172	5.7
557.13037	0.3
573.12286	0.8
575.06946	0.1
575.13989	3.7
591.13531	21.3
592.13922	1.7
593.15100	0.3
881.60144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	13.6
91.10823	0.3
110.98528	6.6
124.23030	0.3
151.77374	0.3
152.99605	0.9
159.13072	0.3
167.01128	3.2
169.10791	0.3
185.02208	4.1
233.22682	0.5
259.20609	0.6
269.04568	0.6
277.21692	100.0
278.22055	4.0
297.03931	0.4
445.23584	32.7
446.24078	1.6
475.02090	0.4
481.14990	0.4
511.16507	0.4
535.31262	0.4
544.64417	0.3
572.15125	0.4
641.22693	0.8
809.25488	0.4
919.44800	2.4
1055.43945	0.5
1087.46851	32.0
1088.47314	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	1087.5239
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03439	0.2
83.01382	1.7
85.02947	6.7
86.00089	0.8
87.00871	3.4
87.04504	1.2
89.02436	2.2
89.91296	0.1
95.01382	1.7
97.02946	3.0
99.00874	5.0
99.04476	0.1
101.02436	4.7
103.04000	0.7
111.00875	0.3
112.01656	0.2
113.02444	5.1
115.00371	0.2
115.03999	1.4
119.03490	0.7
125.02441	4.9
126.02786	0.1
127.04017	0.1
129.01965	0.1
131.02531	0.2
131.03494	2.5
139.00388	0.2
143.03487	3.2
145.05081	0.5
157.01376	0.4
159.02972	0.1
161.04552	0.4
163.06094	0.8
205.07132	1.7
243.61482	0.1
245.43991	0.1
247.08359	0.1
247.49097	0.1
445.33987	0.1
465.37311	0.3
565.38867	1.0
567.40796	0.2
614.69708	0.1
635.43176	0.4
663.42542	0.1
917.63263	0.1
951.53583	0.3
1033.53589	1.2
1051.54700	100.0
1052.54993	16.1
1057.91125	0.1
1123.15906	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	1093.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03954	0.7
78.36975	0.2
79.01904	0.8
83.01384	0.2
85.02950	0.4
87.00867	0.2
89.02409	0.2
91.05513	0.2
93.03474	1.5
93.03980	0.3
95.04998	0.2
96.96004	0.3
101.02410	0.4
105.03474	0.6
105.98565	0.2
107.01398	0.3
107.05002	0.2
113.02419	0.5
117.03458	7.6
119.05021	1.1
121.02962	1.1
125.02399	0.3
133.02965	0.4
135.04521	2.1
137.02417	0.7
145.02957	0.5
147.04489	0.9
148.01648	0.3
149.02429	1.9
151.03995	0.3
159.04492	1.6
161.02425	3.7
161.06128	0.2
162.03073	0.3
163.00334	0.7
163.03998	3.0
165.01906	0.6
171.04591	0.4
171.08098	0.3
173.02455	0.5
173.06110	0.2
175.03969	1.3
176.01114	0.2
177.01958	0.9
177.05554	0.7
179.03452	0.7
185.02379	0.5
187.04001	0.4
189.01909	1.0
189.05704	0.2
190.02711	0.2
191.03450	1.7
193.01378	0.6
197.06055	0.6
199.03938	0.3
200.04718	0.2
201.01875	0.4
201.05602	0.4
203.03496	1.6
205.01392	0.5
205.05116	0.2
207.02954	0.4
209.06030	0.4
210.06880	0.3
211.04060	0.2
211.07654	0.5
213.01892	0.3
215.03499	0.4
215.07109	0.4
217.01503	0.2
223.07561	0.3
224.04716	0.5
225.05540	0.6
227.03247	0.3
229.01439	0.3
231.02885	0.7
233.04524	0.3
237.05618	0.3
239.07144	1.7
240.04243	0.2
241.05032	0.4
243.06613	0.3
251.07135	0.6
253.04997	0.6
253.08554	0.2
254.05925	0.3
255.06639	0.3
265.05051	0.3
266.05844	0.3
267.06610	1.0
268.03754	3.6
268.06921	0.3
269.04529	9.6
270.04733	0.3
275.05508	0.2
277.05051	0.3
278.05704	0.3
279.06430	0.4
281.04535	4.2
282.05331	2.5
283.06097	33.7
284.06354	1.4
293.04471	1.7
294.05258	0.5
295.06091	7.4
296.06729	1.3
297.04309	0.4
297.07642	7.6
298.07880	0.3
305.04443	0.3
306.05426	0.2
307.06094	2.1
308.03143	0.5
309.04028	0.6
309.07681	0.7
311.05582	63.0
312.05875	3.2
314.04364	0.7
319.05945	0.2
321.04095	0.5
321.07535	0.3
323.05576	10.1
324.06180	1.4
325.07141	3.4
327.04987	0.3
328.05865	1.6
329.13940	0.4
335.05600	0.8
336.06274	0.2
337.07101	1.0
339.05139	1.5
341.06641	8.9
342.06921	0.4
346.37936	0.2
349.07135	0.7
350.04263	0.3
351.05029	4.6
352.05518	0.5
353.06644	19.3
354.07120	1.3
356.05362	1.3
363.05014	0.7
365.06738	1.3
367.08173	0.8
369.06088	5.7
370.06738	0.4
377.06525	0.4
379.07846	0.2
381.06033	0.9
383.07690	3.7
384.07782	0.3
391.08191	0.2
393.05786	0.3
395.07559	0.5
397.09650	0.3
399.07336	0.9
409.09338	0.6
413.08740	13.4
414.08936	0.6
419.07599	0.5
431.09885	0.7
434.48944	0.2
437.08444	1.3
439.10248	0.2
444.11130	0.3
455.09637	1.0
459.09219	0.2
471.09250	1.5
472.09775	0.9
473.10855	100.0
474.11182	5.6
476.09286	1.0
483.09305	0.4
484.10648	0.2
485.11252	0.2
489.10306	3.3
517.09735	0.3
529.13934	0.2
531.14966	0.3
545.13080	2.6
557.12976	1.3
573.12122	0.3
575.14014	56.3
576.14349	3.6
649.14368	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00870	4.4
79.01883	0.2
83.01389	1.2
85.02946	6.5
86.00098	0.6
87.00869	3.9
87.04506	1.0
89.02438	2.1
91.26700	0.1
95.01385	7.7
95.72569	0.1
96.96005	0.4
97.02935	1.0
99.00877	7.1
101.01791	0.3
101.02438	4.3
103.03995	0.8
111.00882	0.7
111.04506	0.2
112.01648	0.2
113.02447	5.4
115.00344	0.2
115.03996	1.1
119.03479	0.6
121.21854	0.1
123.00879	7.1
124.01115	0.1
125.02432	1.3
127.03981	0.1
129.01920	0.3
131.03490	2.4
139.00342	0.3
141.01926	1.9
143.03488	2.3
145.05072	0.7
157.01372	0.5
161.04504	0.2
163.06117	0.8
187.00145	0.1
197.57202	0.1
205.07176	1.2
269.89597	0.1
439.35822	0.5
509.39590	0.2
563.37225	0.2
738.64032	0.1
978.52948	0.4
987.53748	0.2
1031.52014	2.2
1049.53186	100.0
1050.53491	12.6
1081.55884	5.2
1082.55481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00864	4.4
77.86797	0.3
78.96008	0.3
81.03449	0.7
83.01368	2.0
85.02948	10.1
87.00880	2.5
89.02428	0.8
90.27066	0.3
95.01369	1.4
96.95993	0.7
97.02952	0.7
99.00872	7.5
99.04516	0.4
101.02457	2.2
109.02940	0.6
111.00908	0.5
112.01682	0.3
113.02451	5.1
115.04029	0.5
125.02408	1.1
127.03993	1.1
131.03500	1.3
143.03520	1.5
145.05064	0.4
157.01395	0.7
175.06398	0.5
185.11745	0.3
187.06097	0.3
205.07147	1.1
247.08176	0.4
281.94897	0.3
300.16095	0.4
326.36911	0.3
344.18817	0.4
357.34811	0.3
423.32437	0.3
439.35895	0.8
465.37140	0.6
657.42944	0.3
701.42743	1.3
863.81671	0.3
935.53705	1.7
997.53613	1.6
1020.54828	1.7
1021.53986	0.9
1039.54761	100.0
1040.55090	11.5
1065.56470	0.4
1083.57178	4.0
1084.58044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00868	4.0
81.03431	0.2
83.01390	1.4
85.02949	6.9
86.00079	0.7
87.00873	2.7
87.04516	0.8
89.02437	1.2
95.01383	1.3
97.02950	3.9
99.00877	5.3
99.04504	0.2
101.02435	1.5
103.04028	0.6
109.42253	0.1
111.00878	0.2
112.01641	0.1
113.02444	4.5
115.00398	0.1
115.04027	1.2
119.03459	0.3
125.02443	6.4
126.26461	0.1
126.87677	0.1
127.04025	0.1
129.01871	0.1
131.03502	2.9
139.00351	0.3
143.03494	2.2
145.05014	0.3
148.31311	0.1
157.01468	0.5
163.06107	0.5
176.39702	0.1
205.07179	1.3
230.34221	0.1
247.08188	0.2
349.46091	0.1
465.37210	0.2
535.40820	0.1
565.39014	0.9
566.39148	0.1
567.40491	0.4
635.42932	0.2
654.59082	0.1
681.43884	0.4
725.42737	0.1
921.51544	0.2
1003.52441	0.8
1021.53687	100.0
1022.53851	12.8
1084.57642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00864	5.7
83.01374	1.4
85.02948	6.4
86.00089	0.9
87.00877	4.9
87.04514	1.0
89.02434	2.5
95.01380	18.1
96.96008	0.8
97.02960	0.9
99.00874	8.0
99.01525	0.4
101.02429	4.5
103.03990	1.0
111.00891	0.8
112.01667	0.5
112.20540	0.3
113.01717	0.4
113.02442	4.5
115.04010	1.3
119.03474	0.9
123.00879	17.7
123.04392	0.3
125.02429	1.3
127.04007	0.4
131.03493	2.8
139.00319	0.6
140.01131	0.5
141.01918	1.3
143.03461	2.4
145.05115	0.5
146.22639	0.3
157.01421	0.5
163.06122	1.5
163.07271	0.3
169.32951	0.4
205.07181	1.5
279.35013	0.3
439.35678	1.1
509.39920	0.4
737.41492	0.5
755.44043	0.3
925.51917	1.5
1037.52441	1.9
1038.52625	0.4
1049.53040	6.5
1050.53113	1.0
1063.55115	2.1
1066.44519	0.3
1081.55762	100.0
1082.56128	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	1081.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00867	4.6
76.50266	0.2
79.01852	0.2
83.01373	1.7
83.55811	0.2
85.02943	7.7
86.00097	1.1
87.00870	4.1
87.04499	1.3
89.02438	2.6
95.01392	2.4
96.95992	0.4
97.02922	0.8
98.00105	0.3
99.00874	6.3
99.19539	0.2
101.02431	4.7
103.03989	0.8
111.00853	1.4
111.04509	0.8
112.01616	0.2
113.02444	5.9
115.03993	1.4
119.03493	0.8
123.00859	0.4
125.02407	0.8
127.04026	0.4
131.03484	2.7
139.00325	0.2
140.01186	0.5
141.01944	0.3
143.03481	2.8
145.05061	0.4
155.03436	1.0
157.01413	0.3
161.04495	0.5
163.06088	1.1
190.44725	0.2
205.07127	1.8
211.13354	0.8
247.08232	0.3
251.81013	0.2
256.90668	0.2
277.21698	0.5
397.13202	0.4
423.04404	0.3
432.27429	0.2
439.35602	0.6
465.37561	0.3
535.41119	0.3
595.40015	0.9
665.44574	0.3
737.43677	0.3
755.44415	0.3
834.24384	0.2
863.51990	0.3
951.53882	0.4
1021.56262	0.4
1063.54736	2.2
1064.54834	0.3
1081.55762	100.0
1082.56042	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	108.0211
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
53.52176	1.9
67.03002	10.8
68.88758	2.0
70.16254	7.2
81.03451	4.1
82.02975	2.9
108.02164	56.7
108.04554	11.9
108.05265	3.7
109.02946	100.0
109.04108	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	1081.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00874	4.9
75.94159	0.2
78.66383	0.2
79.01923	0.2
81.03471	0.2
83.01403	1.2
85.02948	8.2
86.00094	0.9
87.00873	4.3
87.04512	1.0
89.02444	2.4
89.32747	0.2
95.01384	2.5
96.02180	0.2
96.96015	0.9
97.02959	0.6
98.00121	0.3
99.00880	7.3
101.02439	4.8
103.04015	1.0
109.87016	0.2
111.00865	2.0
111.04523	0.8
113.02454	5.6
115.00335	0.3
115.03994	1.4
115.38326	0.2
119.03494	0.7
123.00898	0.3
125.02435	0.6
127.03947	0.2
128.20665	0.2
131.03490	3.2
139.00386	0.3
140.01169	0.9
141.01910	0.4
143.03487	2.6
145.05087	0.4
155.03529	1.1
157.01395	0.5
158.98891	0.2
161.04567	0.5
163.06128	0.9
205.07143	1.2
211.13365	0.4
344.99872	0.2
401.69269	0.2
439.35608	0.7
465.37225	0.5
535.41071	0.3
595.40063	0.8
642.68475	0.2
708.93402	0.2
755.44208	0.5
863.51892	0.3
925.51837	0.7
951.52460	0.3
971.91870	0.2
1049.52930	0.3
1063.55078	2.3
1081.55798	100.0
1082.56079	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	107.0502
Annotation	o-Cresol
Peak:m/z	Relative Intensity
65.99840	1.9
68.27684	0.8
95.05029	0.9
106.04233	3.1
107.02526	1.8
107.05022	100.0
108.02189	6.0
108.04550	13.4
108.05346	6.5
123.04531	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	1071.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00877	1.0
79.01897	0.1
80.02686	0.2
81.03442	0.1
83.01381	3.9
85.02943	1.1
87.00868	0.3
89.02444	0.2
93.03455	0.1
95.01363	0.5
99.00887	0.5
101.02439	0.2
102.19662	0.1
107.01383	11.7
107.04948	0.1
108.02188	3.1
108.99269	0.1
109.02996	0.2
111.00881	0.1
112.48320	0.1
113.02439	1.3
114.69276	0.1
115.00391	0.2
117.01957	0.2
117.03451	0.6
121.02943	0.3
123.00884	0.2
123.04514	1.7
124.01630	0.3
125.02441	2.4
133.03014	0.2
134.03734	15.4
135.04588	0.7
136.01633	1.6
137.02449	0.1
149.06068	11.2
150.06398	0.2
151.00356	43.8
152.00671	0.7
158.03723	0.4
159.04485	0.2
159.27704	0.1
160.01639	0.4
161.02408	0.4
163.04024	0.3
164.01141	4.0
165.01917	2.3
169.01379	1.3
172.05128	0.1
173.02441	0.2
173.06041	0.2
174.03226	1.5
175.02505	0.2
175.03987	1.0
177.01912	4.0
185.02509	0.2
185.24413	0.1
187.04008	0.1
188.04767	0.3
191.07111	0.4
196.00099	3.3
197.06059	0.2
198.03195	0.1
199.03961	1.3
200.01190	0.1
200.04755	0.4
201.01924	1.3
202.02672	0.3
203.03491	0.1
213.05522	0.2
214.06261	0.5
215.03482	0.6
215.07076	0.5
216.04164	0.3
217.04993	0.3
218.05647	0.1
224.04887	0.1
225.05382	0.1
227.03458	0.2
233.08212	0.2
239.07133	0.2
240.04280	0.3
241.04971	0.6
242.05788	1.0
243.03082	0.1
243.06097	0.1
251.03419	0.1
257.08179	1.6
258.05206	0.6
259.06055	0.4
267.80942	0.1
268.03702	0.3
269.04498	0.3
279.50491	0.1
281.04489	0.3
282.05261	0.1
283.06100	3.5
284.03265	0.2
284.06482	0.1
285.03860	0.7
286.04773	2.2
287.05484	0.4
293.04779	0.1
295.06140	0.2
299.05569	0.4
300.06107	0.1
301.07135	100.0
302.07474	3.8
311.05569	5.4
312.06012	0.2
323.05463	0.3
327.05276	0.1
337.07666	1.4
341.06650	0.9
368.65500	0.1
373.09390	0.1
431.09796	4.8
432.10223	0.3
447.08096	0.1
463.11783	0.1
505.09802	0.1
591.13605	0.2
621.14197	0.2
639.15576	64.6
640.15863	5.1
640.26593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00864	3.8
81.03483	0.4
83.01387	2.3
83.74536	0.3
85.02946	7.8
86.00092	1.2
87.00876	3.5
87.04528	1.5
89.02439	3.6
92.89979	0.3
95.01395	1.9
96.96016	1.8
97.02955	0.7
99.00875	6.8
99.04519	1.4
101.02440	5.4
103.03979	0.7
112.01709	0.4
113.02447	5.3
115.03999	1.2
119.03481	1.0
125.02449	0.7
128.57387	0.3
129.01907	0.4
131.03467	2.2
132.54820	0.3
143.03479	2.8
145.05052	0.6
148.52209	0.4
154.56932	0.3
157.01418	0.9
161.04562	0.7
163.06107	0.6
205.07138	1.6
211.13496	0.4
236.15059	0.3
335.50665	0.3
439.35776	0.6
465.37473	2.4
466.37561	0.4
535.41321	0.5
535.79797	0.3
557.86310	0.3
743.43884	0.9
889.97229	0.4
951.53223	1.3
1007.56293	0.7
1051.54846	3.1
1052.53198	0.5
1068.54529	0.9
1069.55725	100.0
1070.56140	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	1069.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00868	6.6
75.01302	0.2
75.75874	0.1
83.01380	2.6
84.02151	0.2
85.02944	15.6
87.00867	3.7
89.02437	2.5
89.02941	0.3
94.84550	0.2
95.01374	3.7
97.02920	0.4
99.00869	6.5
99.01527	0.3
101.02434	2.7
103.00362	4.0
105.03466	0.2
106.47477	0.1
107.01367	0.4
109.02924	0.5
111.00887	0.4
113.02441	23.2
114.02784	0.4
115.00355	1.8
117.01937	1.2
117.03447	1.5
119.04984	0.2
119.47586	0.1
121.02946	0.4
125.02438	0.3
129.01938	1.3
131.03494	1.9
132.74399	0.2
133.01459	0.8
133.02956	2.0
135.04474	0.4
135.55537	0.1
139.00359	0.5
147.04454	0.2
149.02420	0.8
149.04485	0.1
151.00363	0.6
157.01410	1.3
159.02933	0.2
159.04459	0.2
161.02419	0.4
163.00323	0.4
163.02457	0.6
163.03960	0.5
165.01897	0.5
169.06580	0.2
171.04575	0.2
175.02486	4.7
175.03975	0.5
176.46283	0.2
177.01956	0.2
181.06531	0.3
183.04417	0.2
191.03627	0.3
193.03508	11.3
197.06035	0.3
199.04039	0.3
201.01930	0.2
201.05589	0.2
213.05563	0.3
221.15045	0.2
224.04832	0.2
225.05504	0.7
227.03445	0.4
235.04549	0.9
240.04216	0.3
253.04958	0.2
255.02904	0.4
255.06697	0.2
256.03656	0.2
260.34958	0.2
263.04065	0.3
268.03589	0.3
269.04520	23.0
270.04834	1.1
281.04642	0.2
283.02524	0.3
283.05865	0.3
284.03278	1.6
285.03958	1.3
289.05630	1.9
297.04013	2.9
298.04822	1.6
299.05579	3.4
300.06107	0.3
307.06677	0.4
309.03802	0.2
311.05597	1.6
323.05807	0.2
327.05051	14.6
328.05359	0.5
333.04495	0.9
339.05167	0.5
341.06583	0.5
351.05637	100.0
352.05966	2.9
357.06107	4.3
358.06387	0.3
369.06110	0.4
447.09280	12.3
448.09567	0.8
487.08774	1.3
603.09607	0.2
621.10913	34.9
622.11346	2.5
1059.64600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5582
Annotation	Argeloside K
Peak:m/z	Relative Intensity
75.00864	9.2
75.98111	0.4
81.03455	0.5
83.01375	3.1
83.62551	0.6
85.02946	12.1
86.00098	1.3
87.00867	6.6
87.04513	2.4
89.02433	4.6
91.11667	0.5
95.01381	3.5
96.96001	2.8
97.02962	4.2
98.19873	1.8
99.00253	1.0
99.00876	11.5
99.04506	2.9
101.02435	8.1
103.04005	1.8
111.00880	0.8
113.02443	9.8
115.00446	0.5
115.03989	2.3
119.03499	1.1
119.38075	0.5
123.00903	1.1
125.02445	11.8
131.03508	5.1
143.03496	6.0
145.05017	0.8
157.01355	0.9
161.04584	0.7
163.06100	1.5
205.07153	3.6
230.09615	0.6
262.55264	0.6
439.35309	0.8
442.02563	0.6
459.16711	0.6
565.38531	1.5
635.43695	0.6
653.44086	1.4
737.60992	0.6
861.49384	0.7
944.90674	0.5
1033.53601	2.3
1049.52368	0.7
1050.54150	1.2
1051.54688	100.0
1052.55066	13.5
1069.55798	81.4
1070.55981	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	1067.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00867	4.8
75.20187	0.1
76.01202	0.1
78.27783	0.1
81.03462	0.2
83.01372	1.5
85.02943	7.9
86.00076	0.9
87.00874	4.7
87.04514	1.2
89.02441	3.0
95.01380	7.9
96.95999	0.6
97.02936	2.0
97.61624	0.1
99.00871	8.9
99.04507	0.3
101.02435	5.6
103.04009	1.2
103.14614	0.1
111.00881	0.7
112.01639	0.4
113.02441	6.7
115.00349	0.3
115.03988	1.4
119.03485	0.8
123.00872	7.7
124.01228	0.2
125.02439	1.8
127.03995	0.2
131.03484	3.0
139.00322	0.3
141.01941	2.4
143.02415	0.2
143.03493	3.3
145.05037	0.5
149.02441	0.2
157.01395	0.5
159.03029	0.1
161.04512	0.5
163.03932	0.2
163.06116	1.2
178.14890	0.1
205.07173	1.9
244.85626	0.1
247.08130	0.2
358.91290	0.2
439.35785	0.5
441.37039	0.2
723.41016	0.3
925.52026	0.3
978.51501	0.3
987.53741	0.2
1023.55048	1.0
1027.54297	0.2
1028.53723	0.2
1029.55359	2.2
1030.56030	0.2
1031.52917	2.0
1049.53149	100.0
1050.53455	14.5
1067.34985	0.3
1067.53979	2.0
1068.54285	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00867	5.3
81.03451	0.4
83.01387	2.0
85.02943	8.5
86.00085	1.2
86.58807	0.2
87.00867	4.7
87.04507	1.3
89.02435	2.8
95.00831	0.2
95.01392	2.7
96.96004	0.5
97.02946	3.6
99.00872	6.8
99.04517	0.3
101.02435	5.1
103.03982	0.8
111.00874	0.4
112.01665	0.4
113.02443	5.7
115.00317	0.3
115.03998	1.8
119.03495	0.9
125.02439	11.2
126.02745	0.2
127.04027	0.2
131.03494	2.8
139.00368	0.3
143.02426	0.2
143.03487	3.6
145.05049	0.4
157.01402	0.5
159.02933	0.2
161.04543	0.5
163.06122	1.0
205.07159	1.7
225.71143	0.2
264.57980	0.2
437.34201	0.3
455.35229	0.3
520.59845	0.2
581.38452	0.4
723.41589	0.2
733.44922	0.2
741.41821	0.2
753.10620	0.2
879.50494	0.3
941.50415	0.5
967.53833	0.3
1049.53125	2.3
1050.53564	0.4
1065.57642	0.2
1067.54187	100.0
1068.54529	15.9
1099.16125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00869	7.5
81.03442	0.4
83.01379	2.1
83.05012	0.3
85.02946	11.0
86.00061	0.4
87.00868	3.2
87.04503	0.6
89.02450	1.5
95.01389	1.6
96.96000	0.5
97.02947	5.4
99.00877	8.6
99.04512	0.3
101.02430	2.4
103.04004	0.6
104.60122	0.2
109.02934	0.3
111.00871	0.4
112.01657	0.4
113.02439	5.5
115.00340	0.2
115.04014	0.9
119.03461	0.2
123.04602	0.2
123.35895	0.2
125.02442	9.8
127.04009	0.8
129.01892	0.2
131.03496	2.7
139.00337	0.2
142.02638	0.2
143.03503	1.9
145.05038	0.6
157.01385	0.4
163.06111	0.4
187.06055	0.3
193.18291	0.2
205.07173	1.6
213.51740	0.2
247.08197	0.5
461.10526	0.2
465.37320	0.4
565.38940	1.2
567.40802	0.4
681.43652	0.6
687.44818	0.5
725.42505	0.6
813.47571	0.6
833.50482	5.3
834.51086	0.7
875.48114	0.4
959.54187	1.9
960.54199	0.4
1003.52557	0.6
1021.53589	1.4
1022.53235	0.3
1045.54138	1.1
1063.54724	100.0
1064.55139	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	1063.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00465	0.2
75.00871	4.5
81.03452	0.2
83.01380	1.5
85.02948	7.8
86.00104	0.8
87.00873	3.9
87.04506	1.1
89.02439	2.3
95.00819	0.2
95.01385	2.3
96.95995	0.3
97.02937	0.5
99.00875	7.3
99.04526	0.2
101.02440	5.5
103.03996	0.9
111.00913	0.3
112.01616	0.3
113.02442	6.3
115.00371	0.2
115.04009	1.2
119.03502	0.8
119.80795	0.1
120.56680	0.1
125.02438	0.5
127.03993	0.2
129.01907	0.2
131.03491	2.4
133.04958	0.1
135.04506	0.1
139.00345	0.5
143.03487	2.7
145.05045	0.4
157.01393	0.6
159.02936	0.2
161.04541	0.6
163.06119	0.9
205.07138	1.7
244.92239	0.1
384.93985	0.1
404.88416	0.1
405.31827	0.1
423.32434	0.3
437.34500	0.2
439.35748	1.3
441.37390	0.2
459.32718	0.3
465.37332	1.0
485.36203	0.3
493.36475	0.2
509.39935	0.2
535.41608	0.3
541.38855	0.4
543.40479	0.3
599.39722	0.3
611.43091	0.4
647.64789	0.1
657.43695	0.3
701.42657	0.3
951.53455	0.4
1009.53888	1.1
1027.54749	100.0
1028.54980	13.9
1032.54346	0.2
1063.52087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.356
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03967	0.2
77.37175	0.1
79.01904	0.2
81.03456	0.2
83.01393	0.5
85.02954	2.0
87.00887	0.4
89.02440	8.4
93.03464	1.0
95.01372	1.0
97.02956	0.2
98.19915	0.2
99.04517	6.4
101.02435	5.3
105.03418	0.2
107.01404	0.3
109.02972	0.6
109.06634	0.2
110.81596	0.2
111.04523	0.2
113.01688	0.3
113.02445	3.2
119.03499	3.0
119.04973	0.3
121.02956	0.4
121.06604	0.2
125.02464	0.6
131.03540	0.2
133.02943	3.7
133.03889	0.3
134.03767	0.2
135.04521	0.5
137.02441	2.1
143.03554	0.2
147.04489	0.4
149.02438	0.4
149.04510	0.2
151.00337	0.2
151.04034	0.2
161.02464	0.4
163.00342	0.5
163.03990	1.1
165.01915	0.8
171.11786	0.3
173.02454	0.3
175.04019	1.2
177.01979	0.3
179.05611	0.5
189.12834	2.5
191.03505	0.6
193.01376	0.5
199.03972	0.4
201.01903	0.4
203.03596	0.2
207.13882	16.2
208.14226	0.4
209.11739	0.9
213.05612	0.4
215.03476	0.3
225.05646	0.3
227.03409	0.3
227.07126	0.2
229.05132	0.2
233.11784	0.6
240.04247	0.4
241.04996	0.4
250.77527	0.2
251.12862	21.7
252.13153	0.9
253.04976	0.8
255.02901	0.4
255.06599	0.2
257.04617	0.3
257.11398	0.2
269.04544	0.3
269.13858	1.4
271.06052	1.5
272.06412	0.9
273.06738	0.3
283.05917	0.2
284.03223	3.7
284.06369	0.2
285.04025	2.6
297.04025	5.4
298.04767	3.2
299.05576	6.5
300.05841	0.4
309.04059	0.5
311.05466	1.0
318.07520	0.2
324.02863	0.2
325.03473	0.3
327.05066	27.3
328.05469	1.6
329.05661	0.2
339.05008	1.0
340.05389	0.2
341.06403	0.5
357.06137	6.7
358.06427	0.3
369.06161	1.0
387.20096	0.4
393.06125	0.2
399.07108	0.2
431.19168	17.3
432.19452	0.8
447.09280	16.9
448.09564	1.2
449.10425	0.4
449.20212	1.4
450.20993	0.2
506.10062	0.2
591.13446	0.2
592.13928	0.3
593.14081	0.4
609.14459	0.4
610.15216	0.8
611.25470	100.0
612.25818	6.4
612.36053	0.3
989.01245	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02942	29.8
75.00870	0.9
83.01384	12.0
85.02943	5.7
86.01111	0.7
87.00881	2.6
89.02441	5.8
93.03445	7.1
95.01404	2.8
95.05045	0.8
96.96014	6.5
97.02982	1.2
101.02439	34.5
105.03468	0.8
107.04942	0.8
108.02185	2.3
109.02947	4.2
113.02448	13.7
117.03448	2.2
119.03493	5.1
121.02951	9.7
122.03734	16.6
123.00862	2.5
123.04536	1.7
124.01663	1.6
125.02426	2.9
131.03531	3.6
133.02954	4.9
134.03731	3.3
135.04529	1.7
136.01646	19.0
136.02626	1.3
137.02412	9.1
138.03130	0.9
143.03506	4.6
145.02942	9.3
146.03741	7.6
147.04465	2.1
149.02444	30.2
149.04443	6.1
149.05969	1.0
150.03218	100.0
151.00356	7.6
151.04008	39.7
152.01082	1.1
152.04646	2.8
153.01952	2.4
155.03481	0.9
159.04465	1.0
160.01671	0.9
160.05287	1.4
161.02460	8.6
161.04546	11.7
161.06058	5.5
162.03218	69.4
163.03860	2.3
164.04794	7.4
165.01889	2.3
165.05559	95.5
166.02687	17.3
166.05951	2.3
167.03444	2.3
175.02602	0.9
175.03992	3.3
176.01302	1.1
176.04800	1.0
177.02005	1.4
177.05556	47.2
178.05928	1.4
179.03545	1.8
179.05673	1.4
179.07111	4.8
180.04294	8.6
181.05060	21.4
184.03729	1.1
187.03960	1.7
190.02707	0.8
191.03532	1.6
192.04297	1.4
193.05109	1.8
195.06613	59.6
196.06935	1.5
203.03618	0.9
203.05547	1.7
204.04250	1.4
205.05038	4.4
206.05717	1.1
207.06551	2.4
219.06607	2.9
220.07372	3.0
221.06540	3.9
253.04887	0.9
315.08826	1.0
329.10275	1.8
339.10745	2.1
341.10260	0.8
357.11981	0.9
387.10428	1.9
387.14893	3.6
388.11176	0.8
399.12875	2.8
402.13208	2.5
403.13614	1.6
416.14526	1.4
417.15527	14.7
418.15552	1.6
421.14932	1.1
446.17081	0.7
471.16287	0.8
488.64474	0.7
527.23871	0.8
535.16278	2.1
550.18018	1.6
563.19958	3.7
564.19897	1.0
565.12164	1.3
565.20728	26.8
566.21027	2.0
577.20819	9.1
578.21661	1.0
595.22137	3.5
612.21783	1.7
613.22815	15.5
614.23102	1.2
619.21320	0.9
667.24005	1.6
713.26154	1.4
725.25946	28.4
726.25934	2.9
743.26984	1.3
755.26636	2.2
761.14954	1.0
761.28040	13.4
762.27258	1.3
773.28009	18.1
774.27899	2.2
791.29193	3.2
809.30255	15.0
810.30298	1.7
817.28912	1.9
905.31726	1.9
953.34058	1.4
965.34601	9.2
966.33960	1.3
995.35248	0.9
1013.36426	10.1
1014.38574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02938	0.2
79.01894	0.3
83.01373	0.3
85.02952	0.2
92.54441	0.1
93.03490	0.7
95.01400	0.2
101.02452	0.5
101.04044	0.2
109.03056	0.1
113.02460	0.4
117.03461	2.6
119.05002	0.4
121.02946	0.3
126.46564	0.1
131.05031	0.2
133.02972	0.2
135.04521	1.1
137.02454	0.3
141.82814	0.2
145.72806	0.2
147.04504	0.4
149.02412	0.3
149.06056	0.3
151.03990	0.2
159.04529	0.2
161.02463	1.2
161.04541	0.2
161.06079	0.3
163.03972	1.0
165.05620	0.3
173.06042	0.3
175.03979	0.7
177.01852	0.3
177.05557	0.7
177.86752	0.1
179.03502	0.4
187.04019	0.3
189.01912	0.3
189.05577	0.3
191.03539	1.0
197.05994	0.2
201.01926	0.2
203.03510	0.9
205.05067	0.4
215.03479	0.3
217.04994	0.2
219.02888	0.2
221.04597	0.2
224.08452	0.3
233.04578	0.6
237.05650	0.3
238.06378	0.2
239.07144	0.2
241.05011	0.3
245.04570	0.3
251.07127	0.2
253.05061	0.3
253.08659	0.3
254.05835	0.2
267.06592	0.3
268.04584	0.1
268.07303	0.7
269.04568	0.3
279.06696	0.5
281.04547	0.4
282.05338	1.3
283.06046	2.6
284.03705	0.2
284.06473	0.2
293.04633	0.2
295.06082	2.6
295.09320	0.1
296.06836	1.5
297.07645	13.1
298.05017	0.2
298.07996	0.9
307.06088	1.3
308.06613	0.2
309.04202	0.3
309.07529	1.3
311.05585	2.3
311.09039	0.2
312.02640	0.1
312.06195	0.5
314.04288	0.2
321.04041	0.1
323.05588	2.1
324.06216	0.4
325.07138	4.8
326.07437	0.2
327.04691	0.2
328.05887	1.9
335.05627	1.1
337.07202	1.9
338.07629	0.2
339.04883	0.4
341.06467	0.3
347.15726	0.2
349.07156	0.2
351.05103	0.7
352.05835	0.2
353.06638	25.6
354.06927	1.6
355.07980	0.7
356.05301	0.5
361.16531	1.1
365.06580	2.8
367.08163	0.3
369.05994	0.4
370.06567	0.2
377.06592	0.2
379.08182	0.2
381.06229	0.2
383.07693	15.1
384.08170	1.0
395.07593	1.9
396.07990	0.2
397.09259	0.3
399.07300	0.2
413.08859	1.7
414.09305	0.2
415.06378	0.3
425.08795	0.8
427.10342	0.2
431.09979	0.2
437.08331	0.2
439.10144	0.4
455.09851	0.3
457.11404	12.5
458.11923	1.0
469.11612	0.8
473.10641	0.9
487.12491	6.1
488.12753	0.4
489.10321	0.3
499.12250	0.8
505.09802	0.6
509.22284	0.4
517.13831	0.2
517.26416	0.4
529.13489	0.2
533.55835	0.2
535.28131	0.2
559.14398	0.5
575.14008	0.8
576.14404	1.1
577.15570	100.0
578.15887	8.4
579.16180	1.8
591.13464	1.4
609.14923	0.2
780.24329	0.2
809.48779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	1.1
73.02945	3.5
73.66795	0.4
75.00874	5.3
81.03462	0.8
83.01381	6.7
85.02948	7.7
86.00095	1.2
87.00877	4.3
87.04500	1.1
89.02423	2.2
95.01390	6.8
96.96003	2.6
97.02943	1.7
99.00879	7.4
99.04534	0.4
101.02444	3.4
103.04015	0.9
111.00849	0.5
112.01694	0.5
113.02436	5.0
115.03986	1.6
119.03522	0.4
123.00886	5.1
125.02443	22.3
131.03494	3.7
141.01947	0.4
141.06229	0.3
143.03465	2.7
157.01364	0.7
163.06111	0.8
205.07147	1.6
565.39020	1.0
633.49677	0.5
635.42883	0.8
725.42883	0.6
895.50165	0.6
1007.42859	0.4
1019.52039	2.6
1020.52612	0.6
1033.53455	2.9
1034.54248	0.6
1051.54712	100.0
1052.54907	13.1
1085.59680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.381
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00895	0.2
79.01904	0.3
83.01401	0.2
85.02936	0.4
86.74223	0.2
89.02492	0.2
93.03460	0.8
95.01391	0.2
95.32475	0.2
101.02434	0.5
113.02439	0.4
115.33625	0.2
117.03450	2.9
119.05021	0.5
121.02936	0.3
124.20275	0.2
125.02439	0.2
131.04973	0.2
133.03003	0.3
135.04514	0.7
137.02434	0.2
143.86528	0.2
145.02977	0.4
147.04572	0.3
149.02441	0.5
149.06085	0.3
153.62680	0.2
158.03964	0.2
159.04506	0.5
161.01309	0.2
161.02405	1.2
161.05978	0.3
163.04008	0.9
165.05569	0.4
173.06035	0.2
175.04005	0.7
177.01907	0.4
177.05571	0.6
179.03490	0.6
189.01888	0.4
189.05516	0.3
191.03397	0.8
197.06026	0.3
203.03499	0.8
205.01526	0.2
205.05025	0.5
209.06052	0.2
211.51874	0.2
215.03333	0.2
217.04927	0.4
219.02956	0.3
221.04396	0.4
223.07625	0.2
225.05482	0.2
233.04581	0.4
237.05582	0.2
245.04343	0.3
251.07054	0.4
253.05049	0.5
253.08615	0.3
267.06693	0.4
268.07288	0.5
269.04507	0.5
281.04572	0.5
281.08002	0.3
282.05255	0.9
283.06104	2.5
284.06277	0.2
295.06088	2.8
296.06824	1.7
297.07642	12.5
298.07968	0.8
300.02896	0.2
307.06104	1.4
309.07578	1.0
311.05539	2.6
313.06754	0.3
319.05667	0.2
322.04724	0.2
323.05539	2.9
324.06158	0.5
325.07126	4.6
326.07471	0.5
328.05807	2.3
335.05521	0.9
337.07132	2.1
341.06549	0.5
351.05057	0.9
353.06613	26.8
354.07010	1.8
355.07919	0.7
356.05145	0.3
361.16458	1.7
363.65002	0.2
365.06592	2.5
366.06808	0.2
367.08316	0.3
369.05966	0.5
377.06644	0.2
381.05920	0.3
383.07654	15.5
384.08041	0.7
385.05411	0.2
389.21313	0.3
395.07660	2.1
396.07629	0.2
399.06851	0.2
413.08887	1.8
415.06345	0.3
425.08701	0.7
427.10367	0.3
437.08707	0.4
439.10306	0.5
455.09662	0.5
457.11359	13.0
458.11700	0.8
460.09729	0.2
469.11313	0.7
473.10986	1.2
487.12463	6.8
488.13028	0.4
489.11792	0.2
499.12372	0.9
505.09653	1.2
509.21982	0.3
517.13367	0.4
517.26172	0.3
529.13751	0.5
559.14172	0.7
575.14185	0.9
576.14203	1.4
577.15540	100.0
578.15869	7.0
579.16156	1.2
591.13477	1.1
609.14545	0.3
775.93500	0.2
843.60260	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5479
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99297	1.1
73.02948	3.6
75.00465	0.5
75.00871	8.2
79.01869	0.7
83.01403	2.2
85.02946	12.9
86.00088	1.4
87.00876	6.2
87.04516	1.5
89.02447	1.9
91.08699	0.3
95.01382	12.3
96.96061	0.6
97.02953	2.0
97.89261	0.3
99.00874	11.7
101.02441	2.5
103.04005	0.9
108.14906	0.3
111.00845	1.0
112.01665	0.5
113.02447	6.5
114.02740	0.3
115.04018	1.4
119.03436	0.3
123.00878	11.8
125.02431	2.0
129.01949	0.6
131.03500	4.5
139.00310	0.6
141.01955	2.8
143.03499	3.1
145.05095	0.4
157.01367	0.5
163.06097	0.7
180.08542	0.3
205.07196	1.9
439.35699	0.5
543.70782	0.3
948.50671	0.4
1001.51141	1.2
1016.51593	0.4
1019.52161	100.0
1020.52264	12.3
1020.73840	0.7
1033.53357	0.5
1051.54712	29.4
1052.54944	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	1051.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99288	1.0
73.02943	2.7
75.00867	7.4
83.01376	1.2
85.02945	10.4
86.00096	1.0
87.00866	4.7
87.04506	1.2
89.02446	1.6
90.28545	0.4
95.01392	1.9
96.02134	0.4
96.96014	0.9
97.02950	0.4
99.00871	8.3
101.02430	1.9
111.00883	2.5
111.04504	1.2
112.01657	0.4
113.02455	6.2
115.00325	0.4
115.04001	1.3
119.03461	0.4
125.02439	1.1
131.03494	3.6
140.01141	1.0
141.01894	0.5
143.03481	3.2
144.00601	0.4
145.05052	0.8
155.03468	1.3
155.71136	0.4
157.01405	0.7
205.07161	1.2
258.94867	0.4
293.21136	0.4
341.23187	0.4
341.64481	0.4
397.13437	0.4
404.07513	0.4
439.35306	0.4
460.62854	0.4
464.93073	0.4
465.37845	0.5
595.39941	0.7
653.56677	0.4
679.91150	0.4
687.45331	0.5
895.50702	0.7
921.52649	0.5
1033.53064	1.9
1051.54724	100.0
1052.54895	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	1051.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99297	1.3
73.02941	3.6
74.03355	0.2
75.00870	5.9
81.03458	0.3
83.01387	2.3
83.01852	0.4
85.02947	10.5
86.00068	0.9
87.00870	5.5
87.04503	1.9
89.02441	2.8
95.01388	2.2
96.95995	0.6
97.02946	3.1
99.00876	7.6
101.02428	5.5
102.02774	0.2
103.03990	0.9
111.00904	0.3
112.01675	0.4
113.02444	6.1
115.04017	1.7
119.03490	0.9
125.02442	4.9
131.03488	2.6
139.00352	0.4
143.03516	3.4
145.05057	0.5
157.01443	0.3
161.04503	0.6
162.25819	0.2
163.06137	1.0
205.07181	1.7
234.19144	0.2
247.08165	0.3
294.58859	0.3
309.20764	0.3
325.20200	0.4
327.21777	0.4
397.13525	0.4
438.77475	0.2
460.21902	0.2
465.37411	0.6
508.77194	0.2
565.38818	1.6
635.43750	0.9
725.42480	0.3
951.52728	0.3
989.54315	0.4
1015.53229	0.3
1019.53979	0.3
1033.53491	2.4
1051.54712	100.0
1052.54956	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	1051.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	1.3
73.02949	3.7
75.00871	5.7
78.23499	0.2
81.03471	0.4
83.01383	1.8
85.02945	8.0
85.03463	0.4
86.00099	1.1
87.00339	0.2
87.00874	4.9
87.04511	1.4
89.02442	2.5
89.02950	0.3
95.01391	2.3
96.96019	1.4
97.02950	5.3
97.03577	0.3
98.20356	0.6
99.00883	6.6
99.04526	0.3
101.02444	5.4
103.03989	0.9
103.70688	0.2
111.00870	0.6
112.01709	0.3
113.02450	5.8
115.00384	0.3
115.04024	1.4
119.03483	0.7
125.02444	17.4
127.73237	0.2
131.03510	2.9
139.00334	0.4
143.03490	2.7
145.05074	0.7
150.03229	0.2
156.35068	0.2
157.01402	0.4
159.02960	0.3
161.04559	0.4
163.06148	1.2
185.70009	0.2
199.92163	0.2
205.07120	1.5
247.08322	0.3
278.89108	0.2
423.32675	0.2
439.35803	1.9
456.44324	0.2
509.39597	1.0
565.38757	0.3
717.46320	0.3
863.52216	0.3
922.57019	0.2
925.51563	4.0
926.52917	0.4
1033.53418	2.6
1034.53625	0.3
1051.54773	100.0
1052.55103	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	1051.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99304	1.3
73.02939	4.2
73.03352	0.2
75.00869	6.0
81.03449	0.3
83.01386	2.1
85.02948	9.8
86.00105	1.1
87.00874	5.1
87.04519	1.6
89.02441	3.3
95.00819	0.2
95.01393	2.6
96.83803	0.1
97.02342	0.3
97.02947	4.0
99.00877	7.8
99.04554	0.2
100.01139	0.2
101.01791	0.3
101.02441	5.6
103.03999	1.2
107.01375	0.2
109.41592	0.1
111.00878	0.4
112.01655	0.4
113.02450	7.1
114.02729	0.1
115.00380	0.3
115.04012	2.3
119.03510	0.9
121.19909	0.2
125.02444	6.3
127.03970	0.2
129.01883	0.2
131.03499	3.5
139.00352	0.3
142.02701	0.2
143.02415	0.2
143.03491	3.5
145.05074	0.5
157.01396	0.6
159.02934	0.1
161.04526	0.3
163.06126	0.9
190.86935	0.1
205.07161	2.0
233.52664	0.1
247.08177	0.3
256.04788	0.1
327.71616	0.2
416.74365	0.1
439.35654	0.2
465.37094	0.4
535.40790	0.2
565.38849	1.3
635.43414	0.4
707.41034	0.2
725.42627	0.4
858.34058	0.2
863.50964	0.3
951.53198	0.3
1033.53748	2.0
1034.52905	0.3
1051.54749	100.0
1052.55066	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	1051.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00853	0.3
83.01359	0.4
85.02946	1.1
93.03444	0.8
95.01396	0.6
98.19730	0.2
113.01752	0.2
113.02448	1.6
117.03460	2.3
119.05019	0.5
121.02911	0.2
131.05028	0.3
135.04530	0.9
145.02969	0.3
147.04535	0.2
149.02412	0.5
151.03958	0.3
159.04491	0.3
161.02446	1.1
163.03954	0.7
165.01913	0.6
173.02382	0.2
175.02425	0.8
175.03944	0.9
177.01872	0.7
177.05556	0.7
179.03471	0.8
183.65346	0.2
189.01907	0.6
191.03491	0.8
193.05045	0.2
203.03488	1.1
205.01451	0.4
205.05026	0.3
207.02968	1.9
219.02930	0.4
223.07457	0.3
233.00813	0.3
237.03871	0.4
238.06326	0.3
239.07092	0.4
249.04051	0.7
251.07019	0.5
253.05069	0.4
253.08611	0.5
254.05779	0.3
256.03818	0.3
267.06577	0.4
268.07278	0.6
269.04553	1.6
275.05603	0.3
279.05383	0.3
281.04553	1.3
282.05359	1.3
283.06110	5.7
284.03262	4.7
284.06244	0.3
285.03934	0.6
293.04474	0.6
294.05136	0.3
295.06070	3.9
296.06802	1.2
297.04163	0.5
297.07632	9.6
298.04752	0.7
298.07919	0.3
299.05588	5.4
306.05432	0.2
307.06125	1.6
308.03265	0.4
309.04211	0.4
309.07635	1.4
310.04718	0.3
311.05615	5.9
312.06085	0.3
314.04156	0.4
321.04279	0.4
321.07858	0.2
322.04770	0.9
323.05606	4.4
324.06003	0.4
325.07153	3.3
327.05002	0.5
328.05865	1.4
335.05661	1.0
337.07132	1.4
339.05151	1.4
341.06604	2.2
349.07117	0.2
351.05051	3.6
351.08890	0.3
352.05435	0.3
353.06635	21.4
354.07080	1.4
355.08182	0.5
356.05301	0.8
363.04901	0.5
365.06680	1.5
367.04514	1.3
367.08472	0.3
369.06107	13.6
370.06448	0.7
379.08234	0.3
381.06110	2.0
383.07663	9.0
384.07968	0.5
393.05969	0.3
395.07544	1.0
397.05460	0.8
399.07187	7.9
400.07291	0.4
411.07227	0.7
413.08548	0.3
419.07883	0.2
425.08749	0.6
429.08102	0.4
431.09760	0.9
441.08484	0.3
455.09732	0.7
461.11209	0.2
471.09286	1.2
473.10867	5.9
475.08832	3.8
476.09338	0.5
487.08554	0.7
489.10309	7.4
490.10785	0.5
503.11978	1.3
557.12897	0.5
575.14020	100.0
576.14392	8.2
577.14618	0.5
593.14667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
72.98803	0.2
79.01859	0.2
85.02943	0.2
101.02422	0.2
107.01405	0.2
109.02961	0.9
121.02960	0.3
123.00878	0.2
125.02438	0.2
125.34725	0.2
130.00014	0.2
132.02170	0.3
133.02936	3.9
134.03618	0.3
134.44746	0.2
135.04483	0.6
147.04494	0.5
149.02414	0.5
149.06038	0.2
150.03217	0.3
151.03990	0.4
159.04401	0.2
161.02406	0.7
161.06143	0.3
163.03964	0.7
165.01903	0.2
165.05467	0.2
167.03452	0.3
171.04547	0.2
173.02409	0.4
175.03955	1.5
177.01944	1.0
177.05537	0.3
179.03413	0.4
187.04005	0.4
189.01921	0.2
190.02660	0.2
191.03445	0.6
193.01311	0.4
201.01886	0.6
203.03519	0.7
205.01411	0.3
205.05029	0.3
207.02946	0.2
211.07695	0.2
212.04768	0.2
213.05544	0.5
217.04982	0.3
221.04506	0.3
225.05534	0.3
227.03403	0.4
227.07008	0.3
229.05028	0.2
233.04491	0.5
235.02383	0.2
239.03511	0.2
239.07120	0.2
240.04298	0.3
241.04872	0.2
243.02859	0.2
245.04485	0.4
253.04913	0.3
254.05853	0.2
255.02817	0.2
255.06589	0.5
257.04602	0.2
267.06580	0.5
269.04596	0.4
271.06192	0.3
279.06516	0.3
281.04550	0.2
282.05197	0.4
283.06018	1.0
284.03223	1.1
284.06497	0.3
285.03946	1.1
293.04477	0.3
295.06033	0.4
297.03961	2.9
297.07574	0.6
298.04810	4.7
298.07803	0.2
299.05557	3.6
300.05862	0.4
309.03925	0.5
309.07480	0.3
310.04672	0.4
311.05606	5.0
312.06345	10.2
313.07095	4.0
321.03766	0.2
321.07672	0.2
323.05515	1.5
324.06000	0.4
325.03406	0.4
325.07117	1.1
326.04047	0.4
326.07709	0.3
327.05051	11.9
328.05350	1.0
329.05704	0.3
330.03781	0.2
335.05554	0.2
337.03406	0.2
337.07092	0.3
338.04169	0.4
339.00946	0.3
339.05045	6.0
339.09027	0.4
340.05411	0.7
341.06674	3.0
344.05222	0.7
351.04971	0.8
353.06586	2.6
354.07294	0.3
355.04318	0.3
355.08133	0.6
357.06082	3.2
358.06799	0.4
363.04910	0.3
365.06619	0.4
367.04446	0.5
368.05066	0.4
369.06097	19.3
370.06442	1.2
371.07568	0.5
381.06146	2.2
383.07678	9.0
384.08057	0.5
385.05557	0.5
386.05869	0.4
393.05902	0.3
395.07547	1.0
397.05624	0.5
398.06161	0.3
399.07166	14.0
400.07526	0.6
411.07156	2.1
413.08701	4.9
415.06955	0.3
416.06970	0.3
425.08789	0.9
429.08160	2.9
430.08609	0.3
437.09076	0.3
441.08112	1.0
443.09656	0.7
445.07718	0.3
447.09314	8.3
448.09869	0.8
449.09195	0.4
453.08142	0.4
455.09659	0.6
459.09366	0.6
467.09692	0.3
471.08987	1.0
473.10812	3.2
485.10751	0.6
489.10364	3.6
490.10880	0.3
501.10645	0.2
503.11905	3.1
505.09729	1.9
506.10150	2.2
507.10437	1.4
519.11346	0.5
533.12872	0.2
573.12305	0.3
574.12762	0.2
575.13867	1.3
591.13379	1.3
592.13843	1.6
593.15015	100.0
594.15369	6.4
599.92352	0.2
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
51.47959	1.1
56.42410	0.8
57.01927	0.9
58.44663	0.9
59.01377	20.3
65.18063	0.9
66.15905	1.0
69.74133	5.0
72.99305	63.7
73.99649	2.0
75.00870	23.0
105.01926	100.0
106.02258	3.0
111.52239	0.9
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
51.91094	0.9
58.00551	1.0
59.01376	22.1
67.61263	0.8
69.82763	3.1
69.83174	1.5
72.99305	66.1
73.99670	1.2
74.17060	0.9
75.00465	1.7
75.00867	21.4
82.72955	0.9
105.01933	100.0
106.02261	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	1039.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99299	1.3
73.02946	7.3
75.00872	4.8
81.03444	0.6
82.09226	0.3
83.01385	2.4
83.14502	0.3
84.48343	0.3
85.02452	0.7
85.02946	11.6
86.00089	1.2
87.00867	4.1
87.04501	1.3
89.02454	2.0
90.07245	0.3
95.01385	1.8
96.96015	1.7
99.00266	0.6
99.00881	9.0
99.04517	1.7
101.02444	1.6
103.03996	0.9
111.00858	0.5
113.02445	5.7
115.03986	1.2
125.02412	0.5
129.01913	0.3
131.03496	3.8
143.03474	2.7
157.01421	0.8
163.06107	0.6
193.84874	0.3
205.07191	1.2
268.97705	0.3
286.64810	0.4
330.07828	0.3
339.92096	0.4
340.60065	0.3
414.28021	0.4
465.37326	2.3
467.94656	0.3
493.89056	0.3
535.41418	0.6
557.28308	0.4
743.44153	0.8
763.10413	0.3
921.52026	1.8
977.52557	0.5
995.46564	0.5
1021.54089	2.0
1039.54785	100.0
1040.55054	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	1041.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01920	0.3
83.01391	0.3
83.38438	0.2
94.69095	0.2
94.83274	0.2
95.56298	0.2
101.02426	0.2
107.01401	0.2
109.02936	1.4
117.03474	0.2
119.05023	0.4
121.02927	0.3
123.04539	0.3
125.02467	0.3
133.02948	5.6
134.03706	0.3
135.04541	1.0
137.02423	0.2
139.04056	0.2
147.04521	0.6
149.02432	0.8
149.06062	0.2
151.03981	0.5
159.04488	0.2
161.02443	0.5
163.00308	0.4
163.04010	1.2
165.01877	0.4
167.03616	0.2
173.02553	0.3
174.03177	0.2
175.03986	2.3
177.01941	1.3
177.05521	0.7
179.03494	0.4
187.04005	0.3
189.01915	0.4
189.05571	0.5
190.02673	0.2
191.03453	1.0
199.04099	0.3
201.01938	0.8
203.03484	0.8
205.01431	0.4
205.05099	0.6
211.04021	0.3
213.05579	0.7
215.03455	0.2
217.05064	0.6
219.03091	0.2
221.04533	0.3
225.05571	0.6
226.06238	0.2
227.03484	0.5
229.01546	0.2
229.05138	0.3
233.04521	0.5
235.02403	0.4
238.06201	0.2
239.07158	0.3
241.05046	0.5
243.02882	0.3
245.04594	0.4
252.04309	0.2
253.05103	0.6
254.05792	0.2
255.03043	0.2
255.06628	0.3
257.04556	0.3
259.02408	0.2
265.05078	0.2
266.05975	0.2
267.06561	0.6
269.04498	0.7
269.07550	0.2
270.05301	0.2
281.04535	0.4
282.05334	0.3
283.06250	0.9
284.03259	1.3
284.06442	0.4
285.04065	1.1
293.04568	0.3
295.06149	0.7
296.03250	0.2
297.04153	3.2
297.07645	0.6
298.04770	6.6
299.05579	4.2
300.05981	0.3
307.06158	0.2
309.04059	0.8
309.07404	0.3
310.04767	0.7
311.05579	5.6
312.06335	6.6
313.07135	5.2
314.07541	0.3
323.05542	1.5
324.06238	0.4
325.03491	0.5
325.07123	1.0
327.05072	12.7
328.05350	1.0
329.05667	0.2
330.03790	0.2
335.05612	0.3
337.07458	0.4
339.05075	7.8
340.05591	0.8
341.06635	4.0
344.05322	1.0
351.05035	1.0
352.05286	0.2
353.06577	2.4
354.07025	0.3
355.04361	0.3
355.08167	0.3
356.05063	0.3
357.06186	3.0
363.04959	0.3
365.06677	0.2
367.04486	0.6
369.06113	28.5
370.06488	1.4
371.07578	0.7
381.06128	3.4
383.07697	2.9
385.05530	0.3
393.05804	0.3
395.07855	0.5
397.05478	0.3
399.07181	22.0
400.07385	1.1
411.07147	3.4
413.08810	1.4
415.06763	0.3
416.06952	0.2
423.07166	0.2
425.09149	0.3
429.08252	4.2
430.09045	0.4
435.07269	0.3
437.08752	0.4
441.08240	1.3
443.10028	0.4
445.07730	0.7
446.07220	0.2
447.09344	7.8
448.09692	0.8
453.08630	0.4
455.10147	0.5
459.09335	0.5
467.09885	0.2
471.09296	1.6
473.10895	2.6
485.10623	0.5
489.10397	5.6
490.10812	0.4
501.10284	0.3
503.11920	1.9
505.09656	1.2
506.10114	1.5
507.10165	0.9
516.79669	0.2
519.11591	0.9
557.12415	0.2
574.12323	0.3
575.14008	2.5
591.13190	0.9
592.14117	1.3
593.15063	100.0
594.15393	6.1
788.94885	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
71.96009	0.2
72.99297	1.4
73.02940	3.4
75.00868	8.0
77.47560	0.2
81.03442	1.1
83.01391	2.5
83.05005	0.4
84.02126	0.2
85.02946	10.5
86.00105	1.3
87.00872	4.6
87.04497	1.7
89.02443	1.2
95.00809	0.2
95.01382	2.7
96.96001	0.6
97.02946	6.0
99.00876	9.3
99.04505	0.7
101.02428	1.9
103.04001	0.7
108.02155	0.2
109.02943	0.8
111.00846	0.4
112.01684	0.3
113.02439	4.1
115.00339	0.3
119.03482	0.5
125.02438	9.7
127.04012	1.3
131.03491	3.0
139.00375	0.2
142.02708	0.3
143.03481	3.5
145.05067	1.1
156.91597	0.2
157.01398	0.8
162.35979	0.2
163.06094	0.5
205.07094	1.2
227.08353	0.2
229.33771	0.2
345.87692	0.2
439.35757	0.4
465.37411	0.5
565.38934	1.8
635.43066	0.4
701.45898	0.3
847.52460	0.3
892.01245	0.2
1017.54486	2.2
1018.53363	0.3
1035.55261	100.0
1036.55432	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	1037.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99294	1.4
73.02937	4.2
75.00867	8.6
76.59692	0.1
81.03446	0.4
83.01380	2.1
84.02162	0.2
85.02946	12.1
86.00097	1.2
87.00869	5.5
87.04512	1.9
89.02440	2.3
95.01376	2.0
96.96005	0.5
97.02946	5.4
98.44245	0.1
99.00875	9.2
99.04485	0.3
101.02433	2.2
103.04000	1.2
104.82800	0.1
111.00890	0.5
112.01671	0.3
113.02442	6.5
115.00356	0.4
115.04014	1.6
119.03527	0.3
125.02438	18.1
126.02757	0.2
128.03539	0.1
131.03496	4.6
137.86327	0.1
139.00346	0.3
140.03076	0.1
140.63434	0.1
143.02406	0.3
143.03487	3.6
143.04614	0.2
145.05078	0.7
157.01364	0.7
163.06105	0.8
195.88586	0.1
205.07185	1.7
212.71051	0.1
247.08211	0.2
260.80020	0.1
342.63440	0.1
431.32144	0.2
437.34042	0.3
455.35287	0.5
465.30978	0.1
581.38538	0.3
723.41278	0.1
741.42792	0.3
849.48975	0.2
891.47015	0.2
911.49896	0.3
937.52386	0.2
987.68799	0.2
1019.51819	1.4
1020.53113	0.3
1037.53186	100.0
1038.53357	12.2
1039.53308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	1.2
73.02938	4.1
75.00869	8.3
79.01894	0.2
81.03457	0.2
83.01381	1.8
84.02155	0.2
85.02947	11.1
86.00091	1.2
87.00871	4.6
87.04494	1.3
89.02443	1.6
89.39050	0.1
94.69091	0.1
95.01382	9.6
96.01707	0.1
96.96012	0.3
97.02944	2.4
98.20662	0.1
99.00874	12.6
99.04526	0.3
101.02430	2.1
103.04017	0.7
111.00839	0.6
112.01672	0.4
113.02447	7.8
115.00368	0.4
115.04005	1.5
119.03495	0.3
123.00883	11.2
124.01192	0.1
125.02438	1.5
127.03985	0.2
131.03490	4.6
139.00330	0.3
140.01096	0.3
141.01933	3.5
141.51190	0.1
143.03499	3.6
143.04616	0.2
145.05081	0.5
149.02454	0.1
157.01396	0.7
161.04623	0.1
163.06119	0.7
191.05640	0.1
192.68279	0.1
194.38838	0.1
205.07126	1.4
247.08131	0.2
307.70044	0.1
379.38678	0.1
439.35812	0.5
723.40625	0.2
873.46051	0.2
895.51007	0.4
948.50665	0.3
993.53540	1.1
994.53754	0.2
1001.51184	1.2
1019.52124	100.0
1020.52332	11.9
1037.53198	9.2
1038.53796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02943	0.1
83.01407	0.1
87.32230	0.0
89.00339	0.1
91.01887	0.4
93.03443	0.1
101.02428	0.0
107.01384	0.8
109.02939	0.1
114.04314	0.0
117.03438	0.1
117.73265	0.0
121.02930	0.1
123.04520	0.1
130.04320	0.0
130.16904	0.0
132.02159	0.4
133.02953	2.2
134.03751	0.1
135.00880	0.4
135.04494	0.4
141.03473	0.1
143.05054	0.1
151.00331	0.2
153.01933	0.1
154.04158	0.0
155.05098	0.2
156.05838	0.1
157.02937	0.4
157.06561	0.1
158.03767	0.0
159.04514	1.0
161.02388	0.2
167.05017	0.1
168.05809	0.1
169.06581	0.5
171.04550	0.2
173.06038	0.1
176.01152	0.1
180.05788	0.6
181.06572	1.1
182.03697	0.1
182.06888	0.1
183.04488	0.9
184.05090	0.1
185.06012	0.1
190.28557	0.0
192.75674	0.0
195.04451	0.2
196.05287	0.5
197.04242	0.0
197.06096	0.6
199.04012	0.4
201.05566	1.2
202.05830	0.0
208.05222	0.1
209.06104	0.2
210.03285	0.0
211.04025	0.2
211.07568	0.0
212.04721	0.1
213.05588	0.5
223.04083	0.2
224.04767	1.2
225.05537	1.1
226.02817	0.1
226.05966	0.0
227.03496	0.4
237.05484	0.1
239.03503	0.6
239.07237	0.1
240.04283	0.5
241.05028	0.4
252.04381	0.1
253.05052	0.8
255.06570	0.1
265.05072	0.1
267.02972	0.6
268.03766	6.5
269.04523	100.0
270.04855	4.1
270.07938	0.1
271.06073	0.1
279.06601	0.1
281.04660	0.1
282.05283	0.1
283.06134	0.4
291.06647	0.8
292.07053	0.1
293.04288	0.1
297.03995	0.1
307.06152	0.0
311.05585	6.1
312.05911	0.3
335.05630	0.5
353.06772	0.4
413.08826	0.1
473.10809	1.1
474.11053	0.1
680.56201	0.0
800.69507	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02924	0.1
75.00874	0.2
82.88563	0.1
85.02964	0.2
95.01398	0.1
96.95993	0.3
99.00864	0.2
113.02457	0.1
126.97801	0.1
169.03171	0.1
174.25267	0.1
181.78847	0.1
195.04526	0.3
211.03989	14.2
212.04300	0.4
239.03479	53.1
240.03787	1.8
254.05826	68.9
255.06165	2.8
260.92938	0.1
269.08167	100.0
270.08502	3.7
739.35638	0.1
787.50403	0.2
961.42511	0.1
981.09711	0.1
1023.04755	0.1
1035.51636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5486
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	18.1
72.99309	2.0
73.02946	5.1
75.00872	6.7
80.36102	0.2
83.01385	2.1
85.02948	12.2
85.63985	0.2
86.00100	1.2
87.00874	6.0
87.04515	1.9
89.02438	3.6
93.03470	0.2
93.22864	0.2
95.01384	3.3
96.95993	1.0
97.02953	0.7
99.00878	10.3
99.04469	0.2
101.02438	7.3
103.03999	1.1
111.00865	0.6
113.02445	9.4
115.00344	0.3
115.04022	1.5
119.03538	0.9
125.02397	0.5
127.04014	0.2
129.01933	0.5
131.03494	3.9
139.00348	0.6
143.03488	3.6
145.05055	0.8
157.01382	0.7
161.04495	0.6
163.06133	1.3
168.00612	0.2
173.09531	0.2
202.99333	0.2
205.07133	1.8
219.86275	0.2
353.10382	0.3
391.30338	0.3
405.31827	0.3
423.32574	0.5
437.33969	0.3
439.35834	1.6
441.37796	0.3
465.37402	0.9
491.35300	0.5
493.36945	0.3
535.41479	0.2
541.39038	0.5
597.03888	0.2
599.39270	0.4
611.43323	0.6
701.43268	0.7
951.53461	0.3
965.53931	0.5
1009.54095	2.0
1027.54749	100.0
1028.54932	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	1033.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	1.0
73.02549	0.2
73.02945	3.6
75.00867	6.0
83.01376	2.2
85.02946	12.3
86.00101	0.7
87.00874	3.7
87.04527	1.1
89.02440	1.6
95.01389	2.2
96.95976	0.8
97.02956	0.2
99.00877	9.0
100.01189	0.2
101.02446	2.2
103.03993	0.6
108.26636	0.1
111.00909	0.3
112.01643	0.2
113.02445	7.1
115.00359	0.4
115.04015	1.3
119.03509	0.3
125.02451	0.2
127.03941	0.2
129.01912	0.3
131.03499	3.5
138.23277	0.1
139.00381	0.3
143.03494	3.0
145.05055	0.4
157.01398	0.7
163.06108	0.6
205.07115	1.6
247.08360	0.2
291.97623	0.2
326.02737	0.1
336.87622	0.2
338.92651	0.2
339.26868	0.2
405.31705	0.2
423.32541	0.3
437.34207	0.3
439.35773	1.0
441.36835	0.2
465.37357	0.9
475.35916	0.2
485.35947	0.2
509.40482	0.2
535.40979	0.2
541.38544	0.4
543.40613	0.4
553.37909	0.2
599.39142	0.3
611.43439	0.3
657.44147	0.3
701.42792	0.4
745.21875	0.2
921.51654	0.4
979.52277	0.9
997.53687	100.0
998.54028	13.3
1033.51550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	0.1
71.56491	0.1
75.00890	0.1
79.95737	6.5
85.02934	0.1
87.00872	0.1
89.02455	0.0
94.98106	0.1
96.96011	100.0
97.95950	0.2
99.00878	0.1
101.02455	0.0
102.98625	0.0
110.44243	0.0
113.02442	0.1
143.03488	0.0
157.18326	0.0
202.24652	0.0
205.07091	0.0
295.52133	0.0
395.38171	0.0
529.79150	0.0
704.25061	0.0
925.51428	0.7
926.51855	0.1
962.62549	0.0
963.47540	0.1
969.33606	0.0
1023.49359	0.9
1024.49963	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	1021.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	16.1
72.01035	0.2
72.38051	0.2
72.99303	1.4
73.02943	4.3
75.00867	8.0
75.83057	0.3
81.03446	0.4
82.14504	0.2
83.01382	2.1
85.02948	11.3
85.99609	0.2
86.00067	1.2
87.00869	5.4
87.04496	1.4
89.02442	1.8
95.01382	2.2
96.96017	2.1
97.02946	6.7
99.00874	8.9
99.04494	0.4
101.02436	2.6
103.03986	1.0
110.50526	0.2
111.00881	1.0
112.01648	0.4
113.01715	0.5
113.02447	6.3
115.00320	0.3
115.04005	1.4
117.03407	0.3
119.03455	0.3
121.02879	0.2
125.02439	21.5
126.02774	0.4
127.03986	0.3
129.01953	0.3
131.03493	3.5
137.02365	0.3
139.00359	0.4
143.03496	3.1
145.05121	0.5
157.01407	0.4
163.06056	0.9
194.97321	0.3
202.98393	0.3
203.54320	0.2
205.07114	1.2
262.68417	0.2
290.36459	0.3
439.35818	2.0
458.20398	0.3
509.40152	0.5
833.51990	0.3
877.49615	0.3
895.50720	4.3
896.50592	0.5
977.51807	0.3
1003.52557	1.7
1021.53699	100.0
1022.53955	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	1023.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	0.6
73.02932	0.3
79.01906	0.4
83.01395	0.2
85.02928	0.5
87.00856	0.3
93.03443	0.6
101.02438	0.3
101.62418	0.2
107.01376	0.5
109.02946	0.6
112.75722	0.2
117.03447	3.1
119.05013	0.8
121.02927	0.6
123.04500	0.5
125.02471	0.4
133.02937	3.0
135.04501	0.9
137.02417	0.4
145.02924	0.3
147.04488	0.9
149.02403	1.2
151.00185	0.2
151.03981	0.3
153.01862	0.2
159.04523	0.6
161.02396	1.9
161.04552	0.2
163.00304	0.8
163.03981	1.1
165.01878	0.8
173.02435	0.5
175.03979	2.3
177.01912	1.4
177.05464	0.2
179.03384	0.5
183.04527	0.3
185.06024	0.3
187.04042	0.5
189.01865	0.9
189.05569	0.5
191.03455	1.8
193.01457	0.5
193.06470	0.3
197.05966	0.3
199.03908	0.6
201.01889	0.8
203.03458	1.6
204.00516	0.3
205.01389	0.3
205.05136	0.3
207.02925	0.8
211.04060	0.3
211.07579	0.2
213.05521	0.3
215.03459	0.3
217.01381	0.5
217.05034	0.3
219.02931	1.6
221.04474	0.3
223.07515	0.4
225.05473	0.4
227.03514	0.4
227.07088	0.2
228.04082	0.2
229.04886	0.2
231.02939	0.7
233.04510	0.6
235.02402	0.7
235.07654	0.3
237.05586	0.4
239.07156	0.7
241.04988	0.5
243.03096	0.4
245.04425	0.6
247.06088	0.7
251.07082	0.7
253.04982	0.6
254.05940	0.3
255.03111	0.3
255.06584	0.3
257.04456	0.5
259.06049	0.2
263.07184	0.5
266.05695	0.3
267.06613	1.0
269.04443	1.0
271.06015	0.3
275.02423	0.3
275.05573	2.7
278.06064	0.2
279.06549	0.6
281.04626	1.8
282.05240	1.7
283.06100	6.5
284.03323	2.2
284.06183	0.3
285.04068	2.2
290.38635	0.3
293.04547	1.0
293.07938	0.3
294.05304	0.9
295.06104	5.5
296.06747	1.1
297.03995	4.8
297.07617	3.6
298.04749	1.6
299.05548	4.5
305.06915	1.3
306.05127	0.4
307.06030	3.1
308.03372	0.4
308.06757	0.3
309.03973	0.7
309.07645	1.7
311.05576	8.3
312.05972	0.3
314.04251	0.4
317.06885	0.3
319.06088	0.5
321.03931	1.2
321.07669	1.2
322.04715	1.3
323.05573	6.0
324.02582	0.4
324.06024	0.5
325.03690	0.5
325.07095	2.4
327.05054	23.7
328.05539	1.8
334.04559	0.3
335.05505	1.2
337.03824	0.2
337.07153	4.2
339.05048	5.8
339.08994	0.4
340.05453	0.3
341.06711	2.4
349.07126	1.6
350.04440	0.3
351.05045	7.8
351.08664	0.3
352.05383	0.4
353.06567	5.1
355.08090	0.6
357.06125	6.8
358.06357	0.3
363.05029	2.0
365.06592	3.2
367.08359	1.4
369.06097	6.1
377.06403	0.4
381.06091	6.0
383.07681	6.4
384.08130	0.3
393.05920	1.3
395.07474	1.2
397.08908	0.2
399.07202	0.8
409.09222	0.4
411.07275	2.6
413.08722	2.4
423.07187	0.4
425.08835	0.3
427.10260	1.6
431.09760	1.4
437.09052	1.0
439.10129	0.3
441.08270	0.4
443.09833	1.2
445.07523	0.2
447.09271	22.5
448.09583	1.2
455.09860	0.4
457.11517	0.3
459.09213	6.7
460.09787	0.3
467.09644	0.3
471.09293	12.2
472.09702	0.6
473.10736	1.5
483.09250	0.9
485.11032	1.8
489.10291	0.9
501.10428	3.5
503.11905	3.4
531.11353	3.4
557.12939	4.4
575.14001	100.0
576.14246	5.9
593.15588	0.5
594.15094	0.5
595.15253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	17.2
72.01714	0.1
72.99303	1.5
73.02941	4.6
75.00870	9.0
79.01882	0.1
81.03452	0.3
83.01383	2.6
84.02165	0.1
85.02947	13.7
86.00095	1.3
86.03269	0.1
87.00873	5.6
87.04511	2.0
89.02439	2.2
95.01384	2.2
96.95998	0.1
97.02946	6.4
98.03300	0.1
99.00877	10.2
99.04504	0.3
100.01139	0.1
100.01698	0.1
101.02440	2.4
102.26621	0.1
103.04004	0.9
107.01392	0.1
109.02969	0.1
111.00861	0.4
112.01651	0.3
113.02445	7.0
115.00395	0.3
115.04003	1.9
119.03471	0.2
123.00889	0.1
125.02441	10.9
126.02781	0.2
127.03997	0.1
129.01933	0.2
131.03496	4.8
139.00343	0.3
141.01932	0.2
142.02693	0.2
143.03499	3.5
145.05087	0.5
150.87390	0.1
157.01414	0.7
161.04460	0.1
163.06117	0.7
175.06345	0.1
189.04095	0.1
205.07161	1.9
211.13408	0.1
247.08223	0.1
259.38882	0.1
300.16364	0.1
308.73486	0.1
344.18518	0.2
350.58923	0.1
439.35574	0.2
456.19489	0.1
465.37329	0.3
535.41193	0.2
551.75085	0.1
565.38953	1.2
566.39600	0.1
567.40594	0.3
635.43121	0.3
681.43616	0.3
725.42792	0.3
769.31281	0.1
833.50555	0.2
875.48315	0.1
921.51654	0.3
1003.52570	1.6
1004.52966	0.1
1021.53668	100.0
1022.53888	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	1021.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	11.0
72.99307	1.0
73.02941	2.8
74.39361	0.2
75.00868	9.6
81.03448	0.7
83.01382	2.7
83.05026	0.4
84.02141	0.2
85.02944	11.9
86.00092	0.5
87.00872	1.3
87.04510	0.4
89.02428	1.6
95.01377	2.2
96.95994	0.2
97.02945	6.1
99.00876	11.9
99.04493	0.4
101.02430	3.2
103.03998	0.4
106.00967	0.2
109.02924	0.5
111.00867	0.6
112.01629	0.5
113.02440	6.1
115.00366	0.4
115.04024	0.3
121.02954	0.3
124.07504	0.2
125.02440	11.4
126.02831	0.2
127.04005	1.0
129.01926	0.9
131.03496	6.5
139.00320	0.2
141.01768	0.2
143.03484	0.7
145.05061	1.1
157.01393	0.7
175.06169	0.2
191.05560	0.6
205.07161	0.4
205.99716	0.2
211.13399	1.3
212.13713	0.3
244.24722	0.2
255.52762	0.2
261.20264	0.2
277.21677	0.6
278.21988	0.4
344.18646	0.3
397.13538	0.5
439.36246	0.2
465.37393	0.4
565.38892	1.3
567.40973	0.4
681.44098	0.3
889.49731	0.3
921.51422	0.3
1003.53186	1.0
1021.53705	100.0
1022.53949	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	1011.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	11.6
72.99291	0.8
73.02949	3.0
73.88594	0.3
75.00462	0.4
75.00869	7.1
79.95728	0.2
81.03448	0.7
83.01387	2.4
83.04990	0.3
85.02944	10.9
86.00068	0.5
87.00385	0.4
87.00874	3.6
87.04485	0.5
89.02431	2.6
91.89205	0.2
95.01379	3.1
96.96012	2.4
97.02934	0.9
99.00263	0.5
99.00875	7.8
99.04466	0.3
101.01781	0.5
101.02437	7.0
101.25100	0.2
103.03966	0.3
109.02934	0.3
111.00864	0.5
112.01669	0.4
113.02450	6.7
114.93356	0.4
115.00362	0.4
115.03992	0.9
119.03497	0.7
125.02430	1.2
127.03990	1.0
129.01926	0.4
131.03491	1.7
143.03499	1.8
145.05034	1.0
157.01335	0.5
159.03008	0.3
161.04453	0.4
174.30077	0.3
187.06183	0.3
205.07115	1.6
247.08209	0.6
439.35782	2.8
485.37033	0.3
507.70636	0.3
509.39902	1.6
581.37793	0.4
599.39600	0.4
800.28479	0.3
863.51599	0.8
907.50952	0.5
925.52124	1.1
931.18097	0.3
949.51428	1.1
967.52618	100.0
968.53015	12.0
1011.52484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.3
73.02937	0.2
79.01926	0.3
83.94423	0.2
93.03459	0.7
98.20777	0.2
106.60708	0.2
109.02897	0.2
117.03451	2.5
119.05044	0.4
121.02947	0.2
121.58993	0.2
123.04500	0.2
131.04979	0.2
133.02965	1.2
135.04527	0.8
137.02437	0.3
145.02888	0.2
147.04562	0.4
149.02435	0.7
159.04486	0.4
161.02422	1.5
161.06139	0.2
163.04010	0.7
165.01942	0.2
173.02321	0.2
175.04015	1.0
177.01953	0.2
177.05547	0.7
179.03465	0.4
187.03978	0.3
189.01851	0.3
191.03497	0.8
197.05916	0.3
199.04012	0.3
203.03470	0.7
205.01598	0.2
205.05048	0.4
215.03482	0.3
217.04980	0.4
221.04579	0.3
225.05597	0.5
227.03603	0.2
233.04669	0.5
235.07613	0.3
237.05614	0.4
245.04405	0.2
253.08586	0.4
265.08655	0.3
268.07431	0.5
269.04504	0.5
279.06702	0.2
281.04553	0.4
282.05298	1.3
283.06143	1.7
284.03168	0.4
285.04013	1.7
295.06177	2.9
296.06851	1.4
297.04050	2.1
297.07666	10.9
298.04749	1.6
298.08029	0.4
299.05618	1.1
306.05011	0.2
307.06137	1.2
309.07742	1.3
311.05560	2.5
319.06070	0.2
323.05682	2.1
323.09146	0.2
324.06174	0.6
325.03412	0.3
325.07114	4.0
326.07553	0.4
327.05112	5.9
328.05881	2.0
335.05746	1.0
337.07162	1.3
339.05066	0.8
341.06863	0.3
351.05005	0.5
353.06641	23.6
354.07077	1.2
355.08203	0.4
356.05426	0.6
357.06140	4.6
358.06357	0.3
365.06638	3.3
369.06378	0.2
377.06522	0.2
383.07684	16.7
384.08008	0.9
389.06360	0.3
395.07730	2.1
407.07535	0.5
413.08691	2.8
425.08676	1.4
429.08322	0.5
437.08893	0.3
443.09796	8.2
444.10260	0.5
447.09283	12.0
448.09802	0.5
455.09869	1.1
467.09729	0.2
473.10846	5.6
474.10858	0.3
485.10904	0.5
503.12006	0.5
545.13031	0.4
563.14020	100.0
564.14417	7.8
930.62213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58568	0.1
72.99297	0.2
73.02930	0.9
83.01367	0.4
85.02928	0.3
87.00838	0.2
89.02439	0.8
91.01862	0.2
93.03430	0.2
96.96000	0.4
101.02432	1.4
113.02438	0.9
119.03487	0.4
119.05003	0.2
121.02953	0.3
123.04522	0.2
125.02428	0.2
125.42673	0.1
132.02167	0.3
133.02910	0.1
134.03766	0.3
135.00876	0.7
136.01636	0.5
137.02393	0.2
139.72771	0.1
143.03554	0.2
145.02902	0.2
147.00851	0.2
148.01639	1.3
149.02428	0.3
149.04553	0.4
150.03203	0.5
151.00394	0.3
151.04013	0.4
153.01872	0.3
158.03726	0.2
160.01657	0.9
161.02457	0.2
161.04504	0.5
165.01920	0.3
165.05573	0.3
166.02701	0.3
167.03474	0.1
172.05226	0.2
175.03961	1.1
176.01094	0.5
179.05606	0.3
181.04984	0.3
183.04492	0.2
187.03859	0.1
193.05083	0.2
195.04543	0.2
196.05305	0.1
198.03168	0.1
199.04044	0.4
200.04752	0.7
211.03981	1.0
212.04781	1.0
214.02667	0.2
216.04144	0.3
223.03908	0.2
225.05495	0.2
227.03476	2.0
228.04230	0.9
239.03490	0.9
240.04179	0.6
242.02145	0.2
252.04149	0.3
253.05101	0.2
255.02951	3.2
256.03674	1.7
267.02994	0.7
267.06610	0.2
268.03714	1.0
269.04602	0.9
269.07489	0.2
270.05179	0.5
271.05579	0.1
277.81372	0.1
280.03839	0.2
283.02457	3.3
283.06033	0.8
284.03241	50.8
285.03580	4.5
286.03830	1.0
295.06021	0.2
296.03271	0.2
297.04068	1.5
297.07172	0.2
298.04822	3.7
299.05582	100.0
300.05920	9.9
301.06140	2.7
306.05365	0.4
311.05734	0.3
312.06439	0.4
313.07156	0.5
321.07614	1.0
323.05402	0.3
324.09912	0.1
326.04343	0.5
327.05032	0.2
341.06641	11.8
342.06946	1.1
343.07413	0.4
350.04388	0.1
357.09662	0.2
357.13617	0.3
365.06760	0.8
369.13257	0.2
383.07651	0.8
387.14740	0.3
415.10626	0.2
415.23315	0.6
416.62030	0.2
473.10760	0.2
503.12308	0.3
525.59668	0.2
563.24939	1.0
597.23328	1.0
605.25769	0.2
683.75812	0.2
711.29773	0.2
741.28210	0.2
759.31696	0.5
939.31274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.5
69.07077	0.6
71.01358	0.4
71.04990	0.2
71.54999	0.3
73.02921	2.9
79.05484	1.9
81.03427	1.1
81.07052	2.0
85.02910	4.2
87.04504	0.4
91.03961	2.2
91.05497	1.5
93.07030	1.9
95.04990	0.4
95.08579	1.4
97.02898	4.3
97.03506	0.3
97.06517	0.3
99.04483	0.8
99.08114	0.3
101.02380	1.2
103.03960	0.3
105.07064	0.8
107.08643	1.0
109.02914	0.8
109.10194	0.6
115.03941	0.4
119.08588	0.5
120.66692	0.3
121.10194	0.7
127.03928	1.2
129.05502	0.3
131.08583	0.3
135.11760	0.3
137.06073	0.3
145.10217	0.4
178.08681	0.4
185.04230	0.8
203.05388	0.8
243.08458	1.7
330.16907	0.5
333.20352	1.7
335.25977	0.5
347.09543	2.6
363.09079	0.7
365.10693	0.9
405.13721	4.8
413.17975	0.3
439.19534	0.4
519.29248	4.5
519.36145	0.4
551.28333	3.4
552.28369	0.3
565.40234	0.4
681.34521	5.6
713.33636	2.2
829.50507	1.3
991.56055	100.0
992.56152	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	975.565
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.1
69.07072	0.6
69.29713	0.8
69.30137	1.4
71.01363	0.3
71.04996	0.5
73.02909	2.2
74.69136	0.2
79.05484	1.8
81.03448	1.2
81.07057	1.6
83.08600	0.3
85.02908	3.9
89.39920	0.3
91.03953	2.2
91.05498	1.7
93.07039	2.4
95.08614	1.6
97.02901	4.5
99.04472	0.4
101.02409	1.2
105.07079	1.3
105.68372	0.3
107.08588	1.2
109.02897	0.5
109.10168	0.3
115.03953	0.4
119.08584	1.2
121.10178	0.7
123.11640	0.3
127.03912	1.2
131.08563	0.5
133.10158	0.7
135.11699	0.5
145.10092	0.5
147.11754	0.4
149.13252	0.3
157.04768	0.3
161.85725	0.2
167.03096	0.3
171.11879	0.2
173.13287	0.3
185.04260	1.0
193.75394	0.2
201.03671	0.5
203.05347	0.7
222.45479	0.2
241.59863	0.2
243.08337	1.8
249.11240	0.2
252.74252	0.3
258.45609	0.2
259.20566	0.3
301.09140	0.4
315.10944	0.3
317.20963	0.3
347.09436	3.4
363.09201	0.9
365.10739	0.7
373.23508	0.3
405.13629	6.2
405.18448	0.4
463.14429	0.8
477.15775	0.4
517.19080	0.6
519.29340	3.8
533.22400	0.3
535.16339	0.4
535.28888	3.8
559.23865	0.4
627.26520	0.6
681.34601	5.0
697.34265	3.5
753.37317	0.7
813.51160	1.1
975.56519	100.0
976.56720	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	986.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	7.2
69.07076	22.3
71.04981	4.2
71.55193	1.9
72.99107	1.1
73.02893	2.5
78.52407	1.1
79.05494	54.6
80.05827	1.1
81.03425	7.3
81.07059	66.9
83.04975	5.2
83.08620	12.3
83.79174	1.1
85.02906	11.6
85.06553	4.0
91.03964	4.3
91.05485	53.9
93.07046	57.0
93.07635	2.8
95.04959	7.8
95.08614	51.7
97.02901	8.9
97.06528	8.1
97.10168	11.6
99.04462	1.9
99.08101	2.4
103.05476	1.3
105.04535	2.7
105.07034	39.7
107.04964	4.0
107.08603	41.8
109.02895	1.4
109.06509	4.5
109.10155	24.2
111.08079	5.2
113.09662	2.2
115.05434	2.1
117.07020	17.3
119.08585	29.9
121.06516	2.2
121.10152	24.8
123.08078	3.4
123.11722	7.4
125.09627	9.1
127.03910	3.8
127.07657	1.2
128.06255	2.0
129.05598	1.4
129.07007	7.4
131.08578	25.4
133.10136	36.0
135.08052	5.5
135.11690	13.2
137.09637	2.8
141.06987	2.2
142.07748	1.9
143.08585	7.0
145.04936	1.6
145.10120	22.8
147.08109	1.7
147.11707	17.5
149.09625	11.2
149.13239	9.4
153.09073	2.2
155.08554	2.4
157.10124	6.4
158.10909	1.3
159.11713	17.1
160.64528	1.1
161.13283	6.3
163.11218	4.9
163.14795	3.4
165.12737	1.6
169.10136	4.4
171.10242	2.5
171.11697	6.9
173.13245	9.0
175.11214	3.7
175.14859	2.5
179.14330	2.9
181.10187	1.4
183.11751	3.8
185.13307	5.5
187.14819	5.0
189.11237	7.6
191.14352	1.2
197.13284	3.6
199.14864	1.5
201.16385	2.0
213.16548	1.6
219.17436	2.5
227.12827	8.0
229.14386	4.8
229.19545	1.6
231.86963	1.5
239.17970	3.6
241.19513	2.1
243.21146	3.6
247.20667	1.3
257.19025	12.4
259.20615	4.9
261.22040	10.2
267.15921	2.0
269.17526	4.7
275.20074	36.0
293.21066	3.5
317.24948	1.6
331.22702	5.3
333.24277	3.0
335.25821	99.8
336.26208	1.8
337.20151	1.9
349.23737	36.5
485.29184	2.7
489.35721	3.7
505.35211	6.0
515.37140	5.2
517.40552	2.0
529.39044	15.2
555.40778	2.8
569.42096	3.4
591.43994	2.1
605.70978	1.3
609.45166	100.0
610.45221	3.8
627.46216	15.2
649.39191	2.0
753.49542	1.6
772.77655	1.4
986.60657	3.5
987.56946	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	970.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
67.88719	1.7
69.03425	4.4
69.06767	2.0
69.07075	19.5
71.04984	4.4
71.08630	2.0
71.09589	3.8
73.02919	5.1
77.03963	2.0
79.05495	68.5
79.61474	2.0
81.03422	4.2
81.06577	4.1
81.07060	82.4
83.04993	2.9
83.08618	10.5
85.02908	18.7
85.06557	2.2
91.03960	13.4
91.05482	71.6
91.75282	1.7
93.07047	80.3
95.04960	7.1
95.08607	61.4
95.53045	1.7
97.02914	10.1
97.06543	4.7
97.10161	7.9
99.08106	3.0
103.05457	4.3
104.46282	1.9
105.04523	1.8
105.07031	66.0
107.04984	3.3
107.08604	46.8
109.06529	4.5
109.10170	25.8
111.08104	2.5
115.05420	2.1
117.07024	17.7
119.08587	52.9
119.63147	2.0
121.10152	40.4
123.08063	3.4
123.11708	9.7
125.09698	2.2
127.03919	5.5
129.06981	11.8
131.08566	31.3
133.10136	47.6
135.08112	2.5
135.11708	27.2
137.09647	2.7
141.07027	2.4
143.08598	15.1
144.09366	2.5
145.04964	7.2
145.06351	2.2
145.10126	31.3
147.11697	38.7
149.09579	3.1
149.13269	18.5
155.08620	2.5
157.10141	16.2
159.11700	26.6
161.13266	26.9
163.06027	7.5
163.14809	5.1
169.10077	3.1
171.11687	15.3
173.13309	17.2
175.14833	10.1
183.11699	3.2
185.13287	9.9
187.11185	2.2
187.14876	4.9
189.12801	2.3
189.16357	2.2
192.03430	1.8
194.45343	1.9
197.13281	3.9
199.14856	6.8
201.16386	3.0
203.17940	2.6
208.93350	2.0
212.31511	1.8
213.16420	1.9
215.17966	2.7
228.40443	1.9
231.21104	6.2
239.17813	2.0
241.19499	25.5
243.21066	3.3
257.18961	8.8
259.20593	56.2
261.22067	9.0
263.23972	2.1
308.75186	2.0
315.23163	4.4
317.16052	1.8
331.22787	3.0
333.20383	3.6
333.24243	47.6
335.25848	74.4
337.27325	4.8
351.25446	1.9
367.03296	2.8
388.62637	2.1
489.35657	2.3
503.37772	2.4
515.37073	2.1
519.42133	5.6
537.42993	2.9
541.38995	2.6
593.45508	18.3
611.46741	100.0
701.47485	4.4
719.48767	3.1
748.85638	2.3
970.58417	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	966.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	5.4
68.99803	1.8
69.03432	20.3
69.07072	49.4
70.00172	1.9
70.06592	5.6
71.04995	3.5
71.08631	13.8
73.02904	2.5
81.03416	21.7
81.07054	8.2
83.04984	4.1
83.08622	71.5
83.39764	1.8
85.02907	40.3
87.00835	14.8
87.04460	15.3
89.06031	100.0
91.05493	2.4
93.07048	4.4
95.04973	2.8
95.08615	12.2
97.02890	16.2
97.06560	2.3
97.10174	97.4
99.04456	7.5
103.07600	2.4
105.01891	6.7
105.07040	2.5
108.33864	1.7
109.02881	24.7
109.10123	2.6
111.04489	5.1
111.11713	15.8
117.09112	3.0
127.03914	26.8
127.04800	2.6
129.01817	1.9
130.08672	2.5
131.07036	6.1
131.08543	2.1
133.08609	81.5
139.07515	2.3
145.04956	6.1
149.26157	1.8
157.15897	4.0
159.02896	6.9
162.09181	3.3
167.07030	3.2
169.15906	4.1
171.17442	36.1
175.09717	10.7
177.11229	41.7
189.18532	9.4
213.04015	4.3
215.20033	3.7
219.12215	3.3
221.13861	11.8
227.19847	2.0
229.21626	25.0
230.15269	3.3
231.04994	5.3
242.99965	1.9
265.16458	3.6
273.24130	2.4
279.19687	2.1
283.17554	6.6
287.25708	13.1
289.09259	3.6
292.19086	6.0
309.19098	4.5
327.20071	5.4
353.22049	4.0
371.22742	6.9
397.24344	3.9
415.25400	46.5
437.10635	1.8
443.65811	1.9
443.72177	1.7
455.28827	9.9
473.29788	10.7
513.32806	5.4
645.25067	2.3
701.50439	15.9
966.55353	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	970.61
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	4.7
69.07077	21.2
71.04996	2.5
71.08633	3.0
73.02925	5.4
79.05064	4.5
79.05496	65.1
81.07059	69.7
83.04951	3.3
83.08636	12.1
85.02904	15.3
85.06528	3.4
87.41743	2.5
91.03973	13.3
91.05483	71.5
91.09807	2.0
93.06473	4.9
93.07046	77.6
95.04967	7.1
95.08604	58.6
97.02886	9.9
97.06528	5.3
97.10165	5.0
99.04436	2.6
103.05479	3.2
105.07040	66.0
107.08607	46.3
109.10165	21.9
116.12393	2.2
117.07016	20.7
119.08578	50.1
121.10148	32.5
123.08083	2.8
123.11681	7.7
127.03928	5.0
128.06245	2.7
129.06987	12.3
131.08572	37.8
133.10135	44.6
135.11722	24.5
141.07014	2.4
143.08548	14.6
145.04973	5.9
145.10129	31.6
147.11710	35.5
149.13303	16.5
155.08566	4.7
157.10161	11.1
159.11713	30.6
161.13272	19.9
163.06023	8.0
163.14836	6.5
169.10141	4.4
171.11687	11.7
173.13287	20.7
175.14780	6.9
183.11742	4.0
185.13252	10.0
187.14816	5.0
197.13228	2.6
199.14851	5.6
201.16331	2.7
213.16235	5.0
215.18166	2.5
231.21036	4.7
239.18016	3.5
241.19519	19.5
243.21042	4.5
257.19019	8.4
259.20587	68.1
261.22092	13.3
281.21472	2.9
285.21860	2.5
315.23199	4.8
333.24240	49.9
335.25839	85.7
337.27463	8.2
367.22354	2.4
417.98895	2.8
519.41724	6.3
529.38306	2.5
593.45825	21.0
611.46783	100.0
612.46289	3.0
623.47339	2.7
701.47614	3.0
737.49371	6.1
970.63171	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	959.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05519	1.7
69.03444	2.1
70.63821	0.5
71.01371	0.6
71.55462	0.8
73.02913	2.6
79.05506	2.0
81.03426	1.4
81.07064	2.1
85.02905	4.7
91.03967	2.7
91.05473	0.9
93.07040	2.4
95.08627	0.9
97.02902	3.9
99.04487	0.9
101.02415	1.1
107.08606	1.4
109.10176	1.0
121.10160	1.0
127.03963	1.3
133.10179	0.8
135.11734	0.7
185.04294	1.0
243.08557	1.9
289.01065	0.5
300.56311	0.5
325.85605	0.5
347.09567	1.7
365.10837	0.8
403.13556	0.5
405.13623	4.5
519.29102	5.6
627.57123	0.5
681.34491	8.2
755.76453	0.5
797.51373	1.1
959.56976	100.0
960.56927	2.5
962.63275	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6153
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	55.2
69.03439	2.5
69.07073	14.9
71.05003	1.2
71.08627	0.6
71.21373	0.8
73.02917	4.1
77.03942	1.0
79.05499	35.3
81.03412	1.5
81.07062	59.9
83.04980	1.5
83.08617	8.0
85.02907	15.9
85.06555	1.7
91.03963	12.6
91.05487	25.0
93.07050	45.6
95.04980	2.9
95.08614	46.5
96.04504	0.4
97.02895	9.1
97.06553	3.0
97.10193	3.6
99.04452	1.0
99.08093	1.1
105.04517	1.7
105.07035	18.2
107.08601	23.6
109.02885	0.5
109.06519	1.5
109.10166	20.6
111.08090	1.4
111.11789	0.4
115.03949	1.0
115.05498	0.6
117.07023	6.7
119.08588	16.6
121.10155	23.1
123.08076	0.8
123.11726	9.8
125.09593	0.9
127.03912	4.4
129.07007	1.8
131.08582	12.1
133.10144	15.6
135.08087	0.5
135.11708	14.8
137.09608	1.1
137.13275	3.1
139.11281	0.4
143.08597	2.3
145.04962	6.0
145.10144	11.1
147.11697	11.0
149.13263	10.7
151.14825	1.0
153.12744	0.6
157.10126	1.9
159.11703	9.9
161.13277	10.8
163.06046	8.5
163.11255	0.6
163.14848	5.2
169.10091	0.7
171.11723	3.3
173.13261	7.3
175.14828	3.9
177.12787	0.8
177.16406	1.8
182.94012	0.4
185.13330	2.1
187.14836	3.9
189.16423	1.4
191.17995	0.7
197.13185	0.5
197.98289	0.4
199.14909	1.6
201.16422	1.6
203.17917	0.5
211.14819	0.8
213.16467	0.8
214.65311	0.5
215.17976	1.0
215.46881	0.4
219.17656	0.5
225.16408	0.5
227.16246	0.5
229.19608	0.7
231.21071	0.9
233.22719	0.9
239.18018	0.6
241.19701	4.2
243.21115	6.2
245.22743	1.3
247.20532	0.8
255.19238	0.6
257.19101	0.6
259.20593	9.7
261.22165	20.7
262.62445	0.5
263.23572	2.3
273.22177	0.8
275.20200	0.4
277.21671	1.0
279.23163	1.2
280.80267	0.5
287.23590	0.6
299.23749	1.6
301.25226	0.6
303.23300	0.5
309.24365	0.7
313.25040	0.6
315.23224	0.9
317.24640	3.1
319.26266	0.6
333.24243	10.0
335.25818	100.0
336.26248	1.1
337.27396	15.1
341.28403	0.7
351.25375	0.6
353.26913	0.6
355.29828	1.0
367.29510	0.5
477.35910	0.5
489.35605	0.5
503.36383	0.7
503.42996	0.9
521.43555	3.6
529.38873	0.7
539.44543	1.4
543.40350	1.8
595.47235	19.2
613.48291	28.9
640.46967	0.5
830.46753	0.6
954.57208	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.558
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05161	0.8
67.05508	8.9
69.03432	4.6
69.07074	9.3
70.92957	1.0
71.01353	1.8
71.04997	43.9
71.08645	1.0
73.02908	2.6
75.04488	6.6
79.05500	5.1
81.03416	2.3
81.07061	28.3
83.01316	0.5
83.04986	22.3
83.08633	6.2
85.02908	100.0
86.06089	0.5
87.04480	2.2
91.03960	1.1
91.05476	4.2
93.07043	14.2
93.07626	0.7
95.01340	6.5
95.04969	0.8
95.08612	51.8
97.02891	10.8
97.10172	3.4
99.00813	1.3
99.04446	3.2
99.08068	1.0
99.99474	0.5
100.43899	0.5
101.05995	1.2
103.03952	1.6
105.07032	9.5
107.07870	1.1
107.08597	24.5
109.02895	1.9
109.10162	30.7
111.04450	22.9
111.08094	0.6
111.11730	1.7
113.02360	2.4
115.03921	0.8
117.06998	1.1
119.08588	13.7
121.10150	25.7
123.00860	0.7
123.04438	0.6
123.08092	0.7
123.11713	16.8
125.09621	0.7
125.13232	0.5
127.03931	8.2
129.05487	41.3
131.03397	1.5
131.08572	6.3
133.10138	12.4
133.11093	1.0
135.10675	1.0
135.11702	17.4
137.13266	17.3
138.50694	0.6
139.11191	0.8
141.01837	32.8
143.08597	0.8
145.04965	13.1
145.10144	6.8
146.08173	1.1
147.06529	29.3
147.11688	10.3
149.13263	19.0
151.14833	1.5
157.10085	0.6
159.02905	12.5
159.11719	8.3
161.13258	11.3
163.06021	8.2
163.11215	1.1
163.14836	9.5
164.09178	2.6
165.07635	2.3
165.12830	0.7
171.06494	1.4
171.11679	1.3
172.12489	0.5
173.13245	5.2
175.14836	10.4
175.16278	0.8
175.49747	0.5
177.03996	2.0
177.05389	0.5
177.16397	17.3
179.17958	2.7
185.13295	1.0
187.14879	4.6
189.16393	9.3
191.14299	0.5
191.17960	14.3
193.15886	0.9
195.06522	0.5
199.14752	0.9
199.54997	0.5
200.05528	0.6
201.03879	0.7
201.16386	6.7
203.17981	13.3
205.15990	1.3
205.19540	16.1
207.17416	2.9
213.07509	1.0
213.16470	1.1
215.17949	9.3
217.19519	10.1
219.17455	3.6
219.21039	2.9
221.18988	2.7
225.07538	0.8
227.18011	1.7
229.19518	12.1
231.08665	1.6
231.21172	3.2
233.19020	7.1
235.20676	0.7
237.07578	2.7
241.19498	1.8
243.08621	0.5
243.21130	1.9
245.19005	0.7
245.22627	2.4
247.20631	4.1
251.05612	0.9
255.08653	3.6
255.21075	1.7
257.22656	4.3
259.08185	1.2
259.20737	0.9
261.06006	0.5
269.06631	3.2
269.22687	2.8
271.24173	1.5
273.09711	6.3
273.22076	1.2
275.23712	4.5
283.24158	2.0
285.06015	0.9
287.07635	8.1
287.23721	2.0
291.10626	0.7
297.25760	1.5
301.25250	1.4
303.07025	0.7
304.31921	0.6
305.08691	15.7
309.11792	12.1
313.28906	1.9
315.26810	0.5
321.08142	6.1
323.09738	6.9
339.09351	1.0
353.32034	1.8
393.45908	0.5
407.36752	26.8
425.37790	75.3
426.38123	1.2
431.11594	0.6
467.13538	0.8
613.88611	0.6
784.00330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	4.2
68.99775	2.6
69.03436	16.2
69.07074	28.8
69.14879	1.5
70.06614	2.6
71.04996	2.2
71.08620	4.0
72.45481	1.2
73.02905	3.5
73.06559	2.0
79.05486	1.8
81.03425	17.8
81.07066	7.9
82.88826	1.3
83.04983	3.4
83.08623	100.0
85.02910	31.9
86.09700	1.3
87.00832	12.3
87.04475	14.1
89.06036	80.8
91.05486	1.8
91.07605	1.6
93.07074	2.2
95.04964	3.2
95.08585	5.6
97.02882	12.2
97.06510	2.0
97.10178	38.7
98.97646	1.2
99.04475	7.2
103.07541	1.7
105.01859	5.9
107.07066	1.7
107.08605	1.3
109.02887	18.5
109.06499	1.6
109.10184	1.2
111.04427	4.3
111.11707	2.9
117.07021	1.3
117.09187	3.1
119.04939	1.1
119.08535	1.4
121.06499	1.9
127.03082	1.7
127.03926	20.6
129.01842	1.5
131.07027	7.0
133.08609	68.1
137.06044	1.4
145.04935	3.4
147.02963	1.5
147.10121	1.4
155.14301	4.6
157.15881	23.4
159.02867	4.8
167.07091	1.8
171.17416	1.8
175.09648	6.3
175.16954	6.4
177.11241	37.8
189.03873	2.4
213.03885	4.3
215.20065	17.4
219.12349	2.2
221.13896	7.7
231.05055	2.1
239.14923	2.5
265.16388	3.4
273.24182	9.7
283.17410	4.3
289.09106	3.1
309.18994	4.7
327.20181	2.2
353.21393	1.6
371.22894	3.3
397.24344	3.4
415.25427	31.2
441.26245	1.5
455.28577	10.3
459.27866	5.6
473.29709	7.7
499.31381	1.9
513.32446	3.9
621.23914	1.4
687.48822	14.1
952.57135	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	937.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	1.5
67.48428	0.2
69.03435	2.7
69.07082	0.4
71.05013	0.5
71.08630	0.7
73.02922	3.1
75.56457	0.2
79.05492	1.0
81.03417	1.2
81.07068	2.0
83.05006	0.3
83.08643	0.5
85.02911	4.7
85.10207	0.5
87.04485	0.4
90.68063	0.2
91.03960	3.0
91.05511	0.7
93.07048	1.4
95.08607	2.0
97.02893	4.8
99.04470	1.0
101.02381	1.9
103.03983	0.5
105.07052	0.3
107.08614	0.8
109.02877	0.5
109.10195	0.9
115.03972	0.6
117.07088	0.3
119.08596	0.5
121.10200	0.6
127.03959	1.7
135.11726	0.4
144.57100	0.2
145.05025	0.3
177.62839	0.2
185.04321	0.7
190.42924	0.2
203.05362	0.5
243.08418	1.9
313.27490	0.5
335.25937	0.4
347.09579	2.5
363.09012	0.3
365.10837	0.8
405.13724	5.6
497.30875	3.8
519.29303	5.3
589.43195	0.2
646.36206	0.2
659.36066	3.5
681.34595	5.8
775.53052	1.3
937.58643	100.0
938.59265	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	942.5944
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05180	0.3
67.05511	4.2
68.05019	0.5
69.03436	2.1
69.07078	1.3
69.26076	2.1
70.06585	0.5
70.97188	0.2
71.04964	0.4
73.02921	2.5
74.57272	0.2
79.05497	3.7
80.05019	6.2
81.03410	0.7
81.07063	4.5
82.06564	0.6
83.08607	0.6
83.17814	0.2
84.08134	0.3
85.02905	2.9
87.04466	0.3
91.03957	1.6
91.05486	28.6
91.78812	0.2
93.05785	0.5
93.07043	3.1
94.06566	1.0
95.04978	0.5
95.08607	3.3
96.08129	0.7
97.02903	2.6
97.06532	0.3
98.06060	0.5
98.09687	0.5
98.21505	0.5
99.04438	0.3
99.71277	0.2
101.02377	1.0
104.10728	0.3
105.04603	0.3
105.07053	1.2
106.06553	0.7
107.07355	0.8
107.08596	2.2
108.08118	4.3
108.83530	0.3
109.06544	1.5
109.08956	0.3
109.10176	1.3
110.09697	2.0
111.04398	0.3
117.07021	0.5
119.04952	13.2
119.08591	1.2
120.08129	0.6
121.06483	0.5
121.08899	1.0
121.10152	1.5
122.09677	2.7
123.04440	1.0
123.11697	0.3
124.11231	1.2
127.03929	0.6
131.08559	0.6
133.10141	0.6
134.09654	0.8
135.10570	0.3
135.11725	0.7
136.11218	4.8
137.05984	39.9
145.10153	0.3
147.11710	0.5
148.11201	0.4
149.13254	0.4
150.12788	0.7
160.07513	0.3
164.07079	3.1
178.08833	0.3
183.92502	0.2
184.07303	0.5
187.18648	0.2
190.08661	1.0
201.07813	0.2
202.08450	0.3
204.14014	0.3
206.15547	0.2
216.10239	3.2
218.11862	1.6
218.15501	1.1
220.20653	0.7
232.13535	0.2
234.11296	0.3
234.14886	0.5
236.16617	0.5
244.13383	2.3
246.15027	0.3
246.16190	0.3
246.18515	2.3
248.20122	8.8
250.18138	0.8
258.15039	1.1
264.19690	0.8
266.21207	5.6
278.21313	0.9
322.23685	2.1
332.18515	0.3
335.25815	1.6
340.24829	2.2
356.26239	0.6
372.21442	0.5
384.25223	1.6
400.24902	0.5
402.26422	14.3
407.36694	0.5
428.28268	0.5
446.29233	0.8
458.29160	1.7
476.30295	0.6
600.46289	4.5
612.46375	0.7
620.33990	1.3
734.50183	0.9
736.51447	10.1
774.52289	0.3
780.53973	0.9
861.64423	0.3
866.46967	0.3
868.90942	0.3
898.56744	28.9
899.57324	0.6
942.59393	100.0
943.58990	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	942.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05173	0.3
67.05508	3.6
68.05020	0.3
69.03445	1.8
69.07050	1.0
70.06582	0.3
70.14743	0.6
70.15133	0.6
72.96700	0.2
73.02921	2.4
79.05496	2.6
80.05019	7.4
81.03415	0.7
81.06645	0.4
81.07062	3.9
82.06578	0.4
83.08604	0.4
85.02903	2.8
87.04449	0.4
90.77811	0.2
91.03964	1.3
91.05484	26.3
93.05769	0.7
93.07047	3.6
94.06568	1.1
95.04995	0.6
95.07325	0.3
95.08617	3.0
96.08112	0.8
96.79213	0.2
97.02906	2.8
97.06486	0.3
98.06043	0.6
98.09702	1.2
99.04443	0.5
101.02380	0.7
105.07040	1.3
106.06537	0.8
107.04934	0.3
107.07324	0.6
107.08598	1.6
108.08111	3.3
109.02853	0.3
109.06519	1.5
109.08907	0.2
109.10181	1.5
110.09688	1.5
117.07027	0.6
117.73632	0.2
118.06502	0.3
119.04952	12.2
119.08584	1.1
120.08149	0.6
121.06493	0.2
121.08887	1.0
121.10165	1.3
122.09687	3.7
123.04430	1.0
123.10509	0.3
123.11694	0.3
124.11211	0.8
127.03921	0.6
131.08580	0.6
133.10127	1.0
134.09665	0.7
135.10518	0.4
135.11708	0.7
136.11217	3.8
137.05984	38.4
138.12764	0.3
145.10130	0.5
146.09616	0.3
147.11668	0.3
148.11205	0.4
149.06042	0.4
150.12817	0.6
152.07123	0.4
159.11768	0.4
161.13254	0.2
162.12813	0.3
164.07074	3.1
166.08627	0.3
173.13425	0.3
176.14462	0.3
190.08531	1.2
202.08589	0.3
204.13858	0.8
206.15468	0.3
214.08734	0.2
216.10210	3.3
218.11839	0.5
218.15422	0.7
220.20659	0.9
230.11671	0.2
232.13210	0.2
234.11415	0.3
234.14949	0.8
236.16441	0.5
244.13437	1.1
246.18509	2.1
248.20117	9.3
250.18079	0.9
258.14874	1.2
264.19531	1.2
266.21170	4.7
278.21231	0.9
283.08777	0.5
292.22943	0.3
305.11658	0.3
322.23834	1.5
335.25897	1.4
338.23221	0.4
340.24857	2.5
356.26028	0.6
384.25211	1.6
400.25031	0.6
402.26389	14.1
403.27118	0.3
428.28384	0.4
446.29199	0.7
458.29086	1.0
476.30038	0.6
582.45184	0.4
600.46277	4.6
607.57745	0.3
612.46497	0.5
620.34106	1.2
644.48828	0.3
734.49261	1.1
736.51526	9.8
736.64850	0.5
737.51477	0.4
762.51752	0.3
780.54071	0.6
898.56775	25.4
899.57196	0.5
924.58392	0.3
942.59436	100.0
943.59467	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	937.586
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.1
67.18362	0.1
69.03432	3.2
69.07065	0.6
71.01353	0.6
71.01725	0.2
71.04996	0.4
71.08621	0.8
73.02916	3.7
75.04438	0.2
79.05499	1.2
80.94855	0.8
81.03423	1.4
81.07063	2.1
81.40962	0.2
83.01343	0.2
83.08607	0.7
85.02906	5.4
85.10195	0.5
87.04468	0.5
91.03954	3.2
91.05486	0.8
93.07045	1.3
95.04977	0.3
95.08603	2.1
97.02889	5.2
97.10190	0.2
99.04445	0.9
101.02394	1.6
103.03941	0.3
104.99266	1.4
105.07040	0.5
107.08614	0.5
109.02901	0.9
109.10153	0.9
111.77476	0.1
115.03937	0.4
119.08597	0.4
121.10181	0.7
122.04500	0.1
123.11727	0.3
127.03923	1.5
129.05478	0.2
131.08563	0.2
133.10152	0.2
135.11737	0.4
137.13179	0.1
145.04973	0.4
149.13313	0.2
157.96669	0.1
157.98180	0.1
164.92126	0.5
172.00104	0.1
185.04216	0.8
186.99617	0.4
191.71880	0.1
203.05327	0.6
239.23643	0.2
243.08408	2.0
244.95515	0.6
245.95543	0.1
246.92462	0.3
268.99994	0.4
286.99173	0.4
313.27466	0.4
329.08768	0.2
335.25839	0.5
347.09485	2.4
363.09082	0.3
365.10611	1.2
405.13672	5.9
466.91809	0.2
497.30899	3.9
497.37845	0.3
497.65344	0.1
505.29913	0.1
519.29297	5.6
659.36115	3.8
681.34564	6.6
682.34888	0.2
775.52887	1.1
797.51959	0.9
831.51947	0.2
879.49390	0.2
937.58569	100.0
938.58551	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	933.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.0
67.05509	17.0
69.03434	7.8
69.07065	6.5
71.01359	1.2
71.57148	1.2
73.02919	7.4
79.05495	9.2
81.03418	5.3
81.07063	12.7
83.04995	1.3
83.08629	3.7
85.02906	16.4
85.06540	0.7
87.04455	1.1
91.03968	9.4
91.05486	9.2
93.07056	10.3
95.04956	1.6
95.08613	12.7
97.02899	15.1
97.06541	2.0
97.09146	0.6
97.10165	2.0
97.19359	0.6
99.04475	1.3
101.02390	2.1
105.04556	0.7
105.07034	9.1
107.04930	1.2
107.08588	7.8
109.02901	1.6
109.06567	0.9
109.10175	5.2
109.39632	0.6
111.08121	0.9
115.03952	0.8
115.05417	1.0
117.07018	4.9
117.14375	0.6
119.08580	7.6
121.10132	5.8
123.11748	1.5
125.09608	1.3
127.03932	4.5
128.06230	2.0
129.07001	6.5
131.08575	7.6
133.10149	6.6
135.08148	0.6
135.11714	2.7
141.06952	3.4
142.07805	2.3
143.08551	7.2
145.05003	2.8
145.10121	7.4
147.11703	4.4
149.13255	0.8
153.06898	0.8
154.07857	0.8
155.08540	6.0
156.09369	0.7
157.10133	8.2
159.11707	5.2
161.13240	0.9
163.06017	1.1
167.08568	3.0
169.10161	8.6
170.10843	0.8
171.11696	5.8
173.13287	3.4
175.11240	1.0
175.14877	1.0
176.02087	0.7
179.08629	1.9
181.10095	4.3
182.10817	0.9
183.11667	6.9
185.13252	4.4
187.14786	1.6
192.50993	0.6
193.10225	2.0
194.10912	0.8
195.11726	6.1
197.13249	5.5
199.14877	2.7
201.16393	1.3
207.11752	2.6
209.13269	4.2
211.14900	4.0
213.16443	1.7
215.17975	0.8
219.08328	0.6
221.13359	2.1
223.14948	3.1
225.16377	2.2
227.18260	1.0
233.13405	1.0
235.14870	1.7
237.16405	2.7
239.17970	1.7
241.19676	1.0
247.14752	0.7
249.16505	1.1
251.17937	1.4
259.86032	0.6
261.22098	0.9
263.17996	1.0
265.19452	0.7
269.18683	0.8
278.48334	0.7
279.21082	0.6
287.12680	0.7
289.19492	0.7
319.20596	0.7
323.23761	0.8
333.13303	1.8
334.13736	0.8
335.26004	4.6
336.26172	3.6
337.25143	1.4
339.27020	0.9
349.25165	0.9
351.26822	1.0
367.26291	0.8
425.18155	1.1
426.18384	1.9
517.40253	3.3
527.37134	1.0
528.37567	1.5
535.41498	1.5
539.37555	1.3
541.39630	1.3
591.44116	5.2
607.43530	3.4
609.45154	100.0
610.45917	4.0
621.45392	1.9
633.45465	1.2
651.46204	2.0
675.45679	1.0
686.28229	0.8
686.39587	2.8
699.46570	1.2
703.40686	0.8
704.41754	1.5
705.07538	0.7
717.46863	1.6
735.48279	2.5
753.49451	3.0
771.50446	27.7
772.50079	1.3
933.55908	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	932.6304
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	0.9
67.05504	28.2
69.03412	2.0
69.07072	8.8
69.12284	0.6
69.19963	6.7
71.04989	1.6
71.08633	17.7
73.02898	3.0
75.05325	0.6
79.05493	19.2
81.03403	1.0
81.07054	37.8
83.08612	9.5
85.02428	1.0
85.02904	14.1
85.06528	1.3
85.10182	10.4
87.31870	0.6
91.03950	9.2
91.05479	9.8
93.07039	24.6
95.05002	1.4
95.08605	34.7
96.04465	1.0
97.02886	7.2
97.06525	2.0
97.10171	4.4
99.08122	1.1
103.07584	1.6
105.07032	7.5
107.08596	14.8
109.02925	1.0
109.06465	1.0
109.09458	1.3
109.10159	16.1
113.09600	0.7
117.06995	3.1
119.08584	7.3
121.10134	12.7
123.11710	6.8
127.03904	5.8
131.08574	5.8
133.10124	7.6
135.11700	8.1
137.13232	2.3
139.11246	0.7
145.04980	6.1
145.10095	5.7
147.11690	5.1
149.13246	6.8
159.11728	3.6
161.13248	2.7
163.06024	6.8
163.14841	4.5
173.13264	4.6
175.14876	1.1
177.16418	1.5
187.14835	2.7
190.77081	0.6
204.02399	0.6
204.08597	0.7
233.22842	0.9
239.23697	2.9
243.21129	8.8
257.24789	1.4
261.22137	38.9
279.23062	0.9
313.27353	100.0
314.27747	1.1
317.24680	7.0
335.25797	85.2
336.26129	1.0
499.44962	1.0
573.48749	49.7
591.49811	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	929.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	1.6
67.05505	5.3
69.03425	9.0
69.07066	2.8
69.48000	2.9
69.48420	5.4
71.04975	1.7
73.02900	1.0
73.31335	1.0
79.05499	1.8
81.03416	8.9
81.07062	1.2
85.02923	5.6
86.47795	1.0
87.04471	1.8
91.05477	2.5
93.07060	2.1
94.06569	6.8
95.04987	1.8
97.02897	3.2
99.04463	3.0
106.06535	1.1
108.08120	7.2
109.02892	6.0
111.28365	1.1
117.05597	1.0
120.04541	1.4
120.08121	2.4
122.06043	17.8
124.07606	2.3
127.03917	3.6
132.08159	1.3
134.06047	4.9
136.07588	11.0
137.06000	2.3
138.05499	1.1
138.09117	1.4
140.07054	5.2
144.08052	1.2
145.02873	1.0
145.05029	1.1
146.06010	4.5
146.09668	1.6
146.88863	1.3
147.01845	1.2
147.04419	1.4
148.07611	7.9
150.09109	2.8
152.07114	2.1
154.02744	1.1
160.07591	3.0
160.28828	1.2
162.09125	2.1
163.07539	1.4
164.07100	3.8
164.28722	1.1
166.08652	3.3
172.04007	1.5
172.07599	1.3
174.05537	4.9
174.09186	2.3
178.08711	1.5
180.10266	1.2
188.07027	1.4
190.04958	2.1
198.09200	2.1
199.05934	1.4
200.06953	1.2
202.08701	1.8
204.06567	3.1
206.08237	2.1
208.09686	2.0
210.11446	1.8
211.08716	2.0
211.12247	1.6
212.09241	1.3
213.10211	3.5
221.10780	2.2
221.68010	1.0
222.11287	2.0
223.08690	6.7
223.12296	5.0
224.09180	1.9
224.13074	3.0
225.10255	21.5
225.13889	4.4
226.11037	4.6
227.08133	2.1
227.11836	4.6
234.11443	1.5
235.08640	6.5
235.12268	2.4
236.09346	5.2
236.13005	1.4
237.10278	14.5
237.13818	7.3
238.10963	14.5
239.11771	22.5
240.12555	9.7
241.09785	2.5
241.13373	4.8
243.11470	1.4
243.45090	1.3
247.12227	3.3
248.09505	3.9
249.10242	17.8
249.12842	1.4
249.13991	2.3
250.10977	22.1
251.08133	5.5
251.11809	69.2
252.12553	10.7
253.09801	3.5
253.13377	22.3
254.14134	2.6
255.06653	1.2
255.11250	2.8
261.10159	1.9
262.10971	2.9
263.07715	1.6
263.08963	1.4
263.11816	37.9
264.08975	3.2
264.12534	8.2
265.09814	13.7
265.13370	77.7
266.10635	9.9
266.14011	7.6
267.11423	11.1
267.14719	7.9
268.12070	3.4
269.12936	2.9
275.11810	3.2
276.09961	1.5
276.12723	1.7
277.09854	8.5
277.13141	6.3
278.10324	9.0
279.11307	43.0
280.12192	8.3
281.12924	12.4
283.10812	10.7
283.14368	3.2
284.11349	1.5
285.12408	4.3
289.09933	1.6
289.13297	1.4
291.11304	16.1
292.12045	4.4
293.12845	42.6
293.16156	2.2
294.13647	5.5
295.10825	6.6
295.14420	16.1
296.11591	5.8
297.12363	13.0
298.13058	4.7
299.13983	7.3
300.14893	2.0
303.11246	1.6
305.09372	2.3
305.12881	3.4
307.10794	3.7
307.14386	2.5
309.12375	19.2
309.15805	1.3
310.12933	5.2
311.13913	51.2
312.14474	3.2
313.15536	8.1
317.12784	1.7
319.10840	8.3
320.11404	1.6
321.12369	22.9
323.10501	1.4
323.13882	5.2
325.11694	1.7
325.15344	2.4
327.13577	1.6
333.12411	1.9
335.09973	1.7
335.13739	1.5
337.11838	8.3
338.12601	3.1
339.13458	17.9
341.15021	4.8
342.16098	1.8
344.13858	3.4
344.17413	2.9
351.13348	6.3
352.14401	2.6
353.14996	23.7
355.16571	5.9
357.14865	3.4
358.15579	1.7
359.16333	1.3
360.17300	1.5
365.14813	1.3
367.12711	1.5
369.14478	14.3
370.15256	3.2
371.16107	27.7
372.17038	3.9
379.12814	1.9
381.14420	4.4
383.16180	1.8
385.18170	1.7
386.18848	2.0
393.14160	1.3
395.16016	3.9
399.15900	1.5
400.16440	3.3
407.16037	1.9
411.15561	5.1
412.16516	1.4
413.17188	9.8
414.18286	8.3
415.18530	2.1
416.19733	3.0
419.15677	3.2
421.17743	2.4
423.15652	3.9
424.16568	1.8
425.17114	2.4
427.18744	2.4
431.18576	1.3
432.19482	5.3
434.20724	2.6
435.15518	6.8
436.15204	1.3
437.17099	14.1
440.15762	1.7
441.16675	5.8
442.17728	6.1
443.17911	3.1
447.15582	3.1
453.16446	7.8
454.17334	3.5
455.18106	17.4
457.19919	1.6
459.17447	1.9
460.18604	4.0
463.14920	6.7
464.16129	2.8
465.16617	20.2
471.17322	3.5
473.19473	5.8
474.20361	7.8
479.18320	3.4
480.21091	3.6
481.16043	12.6
482.16562	6.1
483.17728	29.1
492.21439	7.5
494.22656	4.3
495.17810	8.7
496.18317	2.5
497.19327	27.0
501.18411	4.7
502.19565	2.2
512.23706	1.7
513.18768	26.3
514.19391	2.8
515.20319	59.4
530.22357	1.4
534.22351	9.8
540.21143	7.7
542.22827	4.3
558.22308	8.6
560.23688	2.1
562.21478	1.5
568.20801	6.3
576.23077	5.0
582.22687	1.4
583.25031	3.4
586.22034	21.9
588.23187	8.9
594.24146	3.1
600.23456	53.4
601.25708	6.0
602.24707	1.9
604.22894	19.8
605.23303	2.2
606.24591	12.4
615.28864	7.1
617.23236	3.6
618.24524	64.6
619.25122	10.0
620.26105	8.9
622.23517	2.6
624.25220	4.2
635.24695	5.8
636.25562	100.0
637.26105	7.5
638.27435	6.1
643.27118	2.0
654.26556	5.8
655.26709	3.5
656.27899	5.1
665.25110	2.9
667.16577	1.7
667.27148	19.2
675.30170	5.2
681.28925	2.1
691.27527	3.2
709.28723	18.1
720.27344	2.3
722.30634	1.9
723.30322	28.2
727.29730	10.7
738.28412	4.7
741.31403	56.4
742.31415	1.4
745.30713	7.3
756.29688	73.3
757.29779	2.4
758.30597	3.1
759.11218	1.4
759.32489	20.2
774.30414	1.6
777.33429	24.5
779.95734	1.3
788.32556	21.3
806.33612	2.0
840.78394	1.3
861.34216	2.5
879.35797	1.7
897.37311	3.1
929.41040	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	926.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.5
67.05511	4.1
69.03411	1.8
69.07065	1.2
71.01350	0.5
73.02914	2.5
73.48679	0.4
75.06324	0.5
77.03938	0.9
79.05490	2.8
80.05013	2.5
80.45383	0.4
81.03410	0.9
81.07068	3.9
83.08617	0.6
85.02900	3.2
91.03963	2.3
91.05489	10.2
93.05770	0.6
93.07051	12.9
95.04973	2.9
95.08605	2.8
96.08113	0.9
97.02911	2.5
97.40334	0.4
101.02384	0.9
103.05473	9.0
105.04546	1.4
105.07037	1.4
106.06489	0.6
107.04996	0.7
107.07387	0.6
107.08597	1.8
108.08132	3.2
109.10148	1.4
110.09704	1.5
117.07021	0.5
119.08563	0.8
120.08075	0.4
121.06514	59.7
121.10138	1.0
122.06817	0.4
122.09692	2.4
123.11739	0.5
124.11248	0.7
127.03957	0.9
134.09644	0.6
135.11711	1.2
136.11235	4.5
138.12793	0.6
141.98874	0.4
145.04959	0.5
145.10127	0.8
147.11749	0.6
150.12836	0.5
200.10699	3.4
216.20316	0.4
218.11813	2.9
218.15398	1.1
220.20650	0.9
228.13930	1.7
229.44485	0.6
242.15456	1.0
246.18617	1.8
248.20152	9.9
248.22624	0.6
250.18251	0.5
264.19659	0.9
266.21133	5.9
267.10651	0.5
270.48093	0.4
302.17554	0.5
319.39743	0.5
319.62338	0.4
322.23871	1.9
335.25906	1.8
340.24811	2.9
368.25870	1.2
386.26901	15.2
386.31833	0.8
430.29037	0.6
442.29584	1.2
511.88208	0.5
548.69360	0.5
582.45081	0.6
600.46271	5.0
604.35046	1.2
612.46381	0.8
700.47888	0.7
718.50348	0.9
720.51996	10.3
757.73572	0.5
882.57288	32.4
883.57928	0.8
926.60205	100.0
927.62408	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	929.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
66.67569	1.6
67.05501	5.1
69.03436	13.0
69.07083	2.8
69.43712	13.8
70.06585	3.1
71.04992	2.0
71.45116	1.7
79.05479	2.9
81.03439	9.3
81.07074	2.2
85.02907	9.3
87.04483	1.9
91.05483	5.3
93.07038	3.5
94.06571	4.6
95.04950	2.2
95.08606	3.0
97.02875	5.4
98.21528	3.7
98.97608	3.4
99.04457	3.7
105.07037	2.2
108.08125	12.2
109.02885	6.9
119.04914	3.1
119.08609	2.7
120.08134	5.5
122.06036	18.7
124.07643	2.8
127.03929	7.6
133.10129	4.1
134.06004	5.2
136.07597	13.4
137.05981	5.5
138.09126	2.8
140.07072	4.0
146.05983	5.2
147.04422	2.6
148.07549	9.9
150.09146	1.7
152.07108	3.6
160.07617	3.1
163.07765	2.1
164.07092	6.1
166.08675	4.5
172.04022	2.6
174.05502	7.2
174.09154	3.5
176.07089	2.5
177.05460	2.8
186.09094	2.1
190.05020	2.6
198.09146	1.8
202.08601	2.0
204.06554	4.1
206.08182	2.0
207.06558	2.0
208.09808	4.9
211.08675	4.9
211.12158	2.5
213.10291	3.9
213.13890	2.0
221.10625	1.9
222.11510	4.7
223.08752	5.3
223.12308	6.4
224.09277	3.3
224.13141	3.4
225.08249	3.3
225.10223	21.4
225.13887	6.5
225.47162	1.8
226.08745	3.2
226.10989	5.1
227.11812	8.2
230.08220	2.3
232.09589	2.0
235.08543	10.2
235.12349	3.9
236.09547	7.6
237.10201	21.0
237.13812	9.8
238.10974	16.7
239.11821	30.4
239.15388	2.6
240.12550	8.3
241.13336	5.5
243.11238	1.7
247.12514	2.6
248.09261	3.1
248.10991	2.5
248.13138	1.8
249.10223	17.7
250.10999	25.3
251.07986	5.9
251.11787	78.9
252.08928	3.4
252.12556	12.1
253.09677	8.0
253.13336	23.0
254.14133	4.4
255.06776	1.9
255.11386	3.7
255.14935	3.2
257.13120	2.6
261.10159	2.9
262.10953	3.4
263.08923	3.4
263.11783	41.5
264.08902	4.3
264.12585	11.1
265.09793	14.6
265.13358	97.6
266.10596	9.4
266.14075	8.7
267.11469	12.4
267.14807	11.7
268.08774	1.8
268.11893	2.7
269.12747	4.6
275.11755	5.3
276.10083	1.9
276.12643	2.6
277.10083	9.6
277.13171	10.4
278.10379	10.3
278.14374	2.3
279.11301	52.5
280.12128	12.6
281.12933	15.0
281.16122	2.4
283.10846	9.8
283.13733	1.8
284.11588	2.2
285.12415	5.4
289.09769	4.2
291.11313	16.2
292.12039	5.1
293.09637	2.9
293.12857	49.3
294.13623	7.6
295.10751	5.8
295.14389	19.7
296.11581	7.6
297.12369	16.2
298.13116	7.0
299.13922	10.5
303.11319	2.3
304.11908	2.0
305.13037	4.0
307.10785	5.5
307.14252	2.9
309.12375	25.0
310.12939	7.1
311.13889	61.5
312.14499	2.8
313.15463	8.5
318.73651	1.9
319.10889	10.5
320.11496	3.4
321.12366	26.5
323.13895	6.5
324.14688	2.4
325.11646	4.2
325.15314	4.0
327.13617	2.5
335.13940	2.5
337.11862	8.8
338.12460	4.5
339.13431	23.4
340.14462	3.4
341.15005	2.6
344.13965	3.9
351.13422	9.3
353.14932	25.9
354.15442	2.0
355.16449	8.4
357.14694	5.1
358.15729	3.6
369.14523	14.8
370.15442	5.1
371.16028	34.1
372.17081	4.6
379.12732	3.6
381.14511	5.7
383.15927	5.8
393.13983	2.4
395.15869	2.9
400.16556	5.1
401.17422	2.7
411.15561	4.8
413.17224	9.6
414.18170	9.4
416.19806	5.1
419.15961	3.8
432.19092	7.1
435.15411	4.0
437.17130	13.6
439.19064	3.0
441.16699	6.3
442.17606	6.2
443.18103	3.0
447.15216	4.2
453.16675	10.1
455.18158	24.4
460.18530	7.1
462.19998	3.1
463.14944	7.7
465.16605	24.0
471.17892	2.7
473.18961	6.1
474.20157	13.7
479.18298	5.2
480.21152	4.0
481.16037	12.8
482.16635	8.1
483.17645	36.1
484.18524	2.5
487.21231	10.1
492.21057	6.6
494.22461	7.8
495.17587	6.6
497.19226	41.9
499.16931	2.8
501.19012	4.4
502.19867	2.6
505.24106	2.6
513.18658	28.7
514.19226	2.3
515.20306	83.3
534.22253	12.6
540.21143	5.2
542.22339	3.9
558.22467	6.9
560.23920	3.0
562.21448	2.1
568.20770	6.5
576.22650	5.5
582.21332	2.7
583.25684	4.9
586.21814	24.9
588.23602	9.5
594.24255	2.6
600.23505	55.7
601.25079	5.9
602.24518	2.0
604.23035	17.4
606.24249	11.7
615.28455	10.1
617.23083	3.5
618.24432	75.6
619.24927	10.3
620.25824	13.4
622.23645	3.7
624.25458	5.1
633.21790	2.5
634.23749	3.4
635.24042	7.5
636.25531	100.0
637.26294	9.7
638.26605	10.3
643.27045	2.5
650.23798	3.9
652.24445	2.8
654.26398	6.0
655.27057	2.7
656.27844	6.2
665.25342	5.7
667.27020	34.3
675.29950	7.9
691.27429	6.3
709.28363	19.2
720.27301	2.9
722.30054	2.8
723.30273	26.3
727.29742	17.0
738.28552	6.0
739.28851	3.2
741.31317	56.0
745.30823	8.6
754.28857	2.1
756.29681	84.9
757.30170	3.1
759.32239	28.2
775.31177	3.9
777.33386	30.5
788.32379	31.0
861.35815	3.2
897.37018	3.7
929.44104	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	922.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	3.8
65.07976	0.2
67.05508	2.9
69.03437	1.2
69.07055	0.7
69.28737	0.3
69.29140	1.5
71.01349	0.2
71.04981	0.3
73.02921	1.2
79.05058	0.2
79.05495	2.4
81.03423	0.4
81.07060	3.6
83.08618	0.5
85.02915	1.7
91.03950	0.7
91.05486	40.4
93.07043	2.4
95.08605	2.6
97.02908	1.3
101.02392	0.4
105.07021	0.8
106.06550	2.2
107.07341	0.3
107.08620	0.9
109.06499	1.5
109.10159	1.0
117.05757	0.9
117.07021	0.2
118.06541	3.9
119.04950	16.7
119.08595	0.5
120.08113	0.2
121.10146	1.0
123.11698	0.4
127.03954	0.2
130.06506	0.9
131.07321	3.0
131.08296	0.3
132.08102	2.1
133.08856	0.4
133.10199	0.2
134.09648	0.6
135.11711	0.5
137.05986	38.0
144.08110	0.5
145.08932	0.4
145.10074	0.2
146.09641	2.5
147.11679	0.3
148.11226	0.3
158.09663	0.2
159.10487	0.2
159.11717	0.4
160.11234	3.7
161.11984	0.2
162.12883	0.4
172.11259	0.7
173.11990	0.3
174.12810	0.8
188.14326	0.3
202.15997	0.5
216.17584	0.2
244.20616	4.4
261.22156	0.2
272.20102	48.5
273.20474	0.6
290.21161	11.1
328.22488	0.3
335.25824	4.0
346.23798	5.8
347.24231	0.2
364.24844	9.8
426.26428	11.3
563.39319	0.2
606.45081	1.6
610.32507	0.2
624.46277	3.9
644.34210	1.2
733.00708	0.2
760.51483	1.1
786.52252	0.3
918.63098	0.3
922.56763	100.0
923.57318	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	922.6674
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07059	1.9
71.08635	67.0
71.56727	1.0
73.02911	1.7
73.06552	4.2
73.13851	1.0
77.12738	0.9
83.08620	1.8
85.10184	62.4
86.25219	1.0
87.04473	21.5
89.06033	100.0
90.62627	1.0
91.05475	3.6
97.10159	2.4
99.11735	11.3
101.09624	1.1
102.50937	1.4
107.07066	1.7
113.05978	1.5
113.13258	5.1
117.09148	9.3
130.08653	3.0
131.07045	9.4
133.08609	74.4
137.05974	3.4
145.94736	0.9
155.17966	8.3
161.11702	2.0
175.09700	6.5
177.11221	36.3
181.21635	1.0
201.11310	0.9
206.28235	1.1
213.22121	16.3
219.12373	3.2
221.13863	8.1
228.23604	1.1
247.15588	1.0
254.24692	2.2
265.16605	1.9
271.26413	6.6
272.20169	5.1
272.66141	1.1
283.17480	2.4
290.21008	1.1
309.19083	2.1
327.20139	1.2
330.56665	1.0
353.21448	1.5
369.34650	1.0
397.24088	1.0
400.62384	0.9
559.48120	1.1
635.38446	6.4
675.41870	1.1
922.53351	4.4
922.66467	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	922.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28523	1.2
67.05505	6.3
68.99775	3.0
69.03434	20.5
69.07069	53.0
70.03614	2.1
70.04006	2.8
70.06597	4.3
71.04996	2.7
71.08634	15.7
71.63738	1.2
73.02919	3.0
79.05481	2.3
81.03419	24.1
81.07065	6.5
83.04987	4.7
83.08622	67.4
85.02908	40.7
85.03426	1.9
85.06538	1.6
86.09709	1.6
87.00835	16.1
87.04468	13.3
89.06033	81.3
91.03989	1.6
91.05467	3.1
93.07037	2.9
95.04962	4.6
95.08607	10.7
96.76835	1.0
97.02901	13.3
97.06516	1.8
97.10173	100.0
99.04479	6.8
101.05991	1.9
103.03918	1.2
105.01870	8.8
107.08600	1.8
109.02884	28.6
109.10166	2.5
111.04450	4.8
111.11726	20.6
117.01849	2.5
117.09116	4.4
121.06504	1.7
121.83443	1.0
125.05949	1.7
127.03925	28.2
129.01839	2.4
130.08678	2.9
131.07045	4.9
131.86844	1.3
133.08607	71.6
137.06012	1.7
137.13193	1.0
145.05013	5.9
147.02908	1.2
147.10204	1.3
149.05984	1.6
157.15854	4.9
159.02893	6.1
159.11600	1.2
167.07065	2.8
169.15886	4.8
171.17456	33.4
175.09680	6.1
177.11234	42.3
185.08086	2.3
189.03989	1.9
189.18480	7.4
191.12801	1.5
213.03906	6.6
215.20076	3.1
219.12346	2.0
221.13805	11.0
229.21645	26.4
231.04955	6.0
237.16968	1.1
239.14919	2.6
247.22726	2.5
254.11530	1.1
265.16562	4.8
273.24295	3.0
283.17462	4.2
287.25790	14.3
289.09232	3.6
309.19067	3.8
327.20102	6.3
353.21762	6.0
367.23026	1.2
371.22769	42.4
385.24335	1.3
411.26022	12.3
429.26849	9.9
441.96768	1.3
452.56601	1.2
455.42044	1.2
469.30130	7.2
573.13226	1.3
619.76984	1.3
657.47906	17.5
922.55585	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	920.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28465	0.5
65.03947	2.1
67.05506	51.2
69.03434	2.4
69.07067	9.9
69.26124	4.7
71.04596	0.9
71.04993	17.2
73.02922	1.7
73.06549	0.9
79.05493	27.3
81.03419	2.3
81.07058	74.7
83.04961	3.5
83.08627	7.4
85.02908	9.6
85.06544	7.0
91.03951	5.7
91.05482	25.5
93.07046	31.8
95.04958	2.3
95.08607	22.8
96.04519	0.6
97.02892	5.9
97.06530	4.6
97.10178	2.1
98.21584	0.6
99.08104	1.1
104.02757	0.5
105.04531	0.6
105.07034	13.8
107.08601	19.2
109.06535	1.3
109.10151	12.5
111.08096	2.0
117.07012	4.5
119.08580	7.8
120.11724	0.5
121.06542	1.1
121.10147	15.6
123.08116	0.7
123.11713	10.4
125.09660	1.2
127.03931	2.5
129.05495	0.7
129.07016	1.3
129.19814	0.6
131.08577	8.7
133.10130	17.3
135.11697	8.6
137.09633	0.8
143.08563	0.6
145.04968	2.9
145.10135	4.1
147.11720	4.3
149.13263	6.5
150.35323	0.5
151.11186	6.3
153.12787	1.1
157.10153	1.6
159.11661	6.2
161.13284	3.1
163.06049	3.0
163.14841	1.3
169.12292	1.9
171.11681	1.5
173.13266	3.6
175.14891	1.0
177.12825	2.0
179.14160	0.7
183.13826	1.9
185.13327	0.7
187.13307	3.4
187.14816	1.1
195.13869	1.4
199.14954	0.8
201.14873	0.8
201.16533	0.7
207.91551	0.6
218.87498	0.5
227.16486	2.0
243.21295	0.6
253.18094	0.8
257.17545	1.5
259.20828	1.0
261.22275	2.9
269.17505	5.5
295.98041	0.6
301.20105	18.4
317.24637	0.9
335.25821	15.9
411.32639	0.8
419.33371	0.8
429.33978	0.9
437.34189	2.5
445.24326	1.3
455.35043	0.7
485.36237	4.5
493.37030	0.8
503.37329	72.4
504.37796	1.5
511.37717	3.2
517.38623	2.7
529.38885	30.4
530.39099	0.6
543.40399	0.9
547.39886	1.4
561.41516	100.0
562.41827	1.9
673.43256	1.3
694.53656	0.8
705.45471	2.2
827.26495	0.6
920.56738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.464
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	4.0
67.05483	0.4
67.68084	0.2
69.03426	2.2
70.94358	0.4
70.94688	0.2
71.01359	0.4
71.04990	0.2
73.02915	2.6
79.05489	0.6
81.03424	1.1
81.07080	1.2
82.70744	0.2
84.08169	0.2
84.48168	0.2
85.02908	3.1
91.03973	1.5
91.05482	42.2
91.46268	0.2
93.07022	0.5
95.08596	0.4
97.02895	3.0
98.24026	0.2
99.04431	0.7
101.02352	0.9
106.06550	0.2
107.07334	0.5
107.08591	0.2
108.08169	0.2
108.79878	0.2
109.02859	0.5
109.06535	2.2
110.97573	0.2
117.05715	0.2
118.06543	1.6
119.04945	19.1
119.08566	0.4
120.08115	0.4
123.04456	0.2
127.03908	0.9
130.06502	1.2
131.07300	0.6
131.08583	0.2
132.08092	1.5
133.08920	0.3
137.05980	38.2
144.08099	0.6
145.10101	0.3
146.09648	1.3
156.08183	0.3
158.09634	0.4
160.11238	0.3
161.06003	0.2
167.06953	0.3
202.15904	0.4
214.15825	0.3
228.17506	0.7
244.17027	0.3
255.06444	0.4
256.16934	1.0
258.18658	0.3
269.10260	0.2
269.27060	0.2
312.26849	0.5
324.26883	3.3
332.63327	0.2
335.30661	0.2
340.22287	0.4
340.26331	6.3
340.30307	0.4
344.94287	0.2
356.25824	0.3
358.27509	0.7
368.25848	19.6
374.27048	0.3
386.26877	12.0
404.27982	4.2
442.29529	5.7
460.30612	34.9
461.30966	0.7
510.31958	0.3
540.33160	1.7
596.35718	1.5
604.35919	0.3
622.36017	0.9
688.20111	0.2
758.41144	3.6
789.29761	0.2
920.46393	100.0
921.46875	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	920.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66955	0.4
65.03926	1.9
67.05505	38.3
69.03429	1.6
69.07073	6.3
70.67617	0.4
70.67937	0.7
71.04993	12.4
71.08630	0.4
73.02919	1.6
77.03961	0.3
79.05492	21.3
81.03420	1.4
81.07056	59.5
83.04978	2.3
83.08621	5.6
85.02902	6.2
85.03371	0.6
85.06546	5.4
87.04484	0.5
91.03966	4.1
91.04491	0.4
91.05481	16.6
93.07043	25.0
95.04980	1.6
95.08604	17.8
97.02885	3.4
97.06523	3.3
97.10165	1.6
99.04481	0.5
99.08112	0.9
105.04515	0.6
105.07029	11.1
107.08595	13.0
109.02878	0.6
109.06524	1.4
109.10152	8.6
111.08084	1.1
113.09623	0.4
114.28182	0.3
117.07026	3.4
119.08588	5.9
121.06548	0.5
121.10141	10.6
123.08053	0.5
123.11707	9.4
127.03934	1.8
127.11238	0.5
131.08566	6.3
133.10135	13.4
135.08057	0.5
135.11688	7.0
137.13254	0.4
143.08636	0.4
145.04959	1.7
145.10117	3.5
147.11702	3.0
149.09637	0.5
149.13246	4.7
151.11183	4.1
153.12804	0.4
155.08578	0.4
157.10165	0.9
159.11697	4.2
161.13220	1.9
163.06030	2.1
163.14774	0.8
169.12302	0.6
173.13258	2.1
175.14861	0.7
177.12790	1.2
179.14349	0.5
183.13799	1.9
187.13321	2.5
187.14900	0.8
195.13831	0.9
199.14742	0.4
201.14783	0.4
227.16368	1.2
243.15927	1.2
243.21202	0.6
253.17908	0.5
257.17615	1.2
259.20712	0.4
261.22192	1.9
269.17447	4.2
301.20093	9.9
317.24728	0.4
335.25787	21.0
411.32339	0.7
437.34229	0.4
445.24457	0.8
485.36334	2.1
503.37320	61.9
504.37646	1.3
511.37680	0.9
517.38873	2.2
529.38928	14.0
530.38947	0.5
547.39874	1.1
561.41504	100.0
562.41577	1.9
573.61188	0.3
583.57861	0.4
627.86969	0.4
647.42090	0.5
673.43134	0.5
691.43817	0.6
705.46106	2.6
920.56299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86716	0.4
67.05502	3.0
68.32462	0.4
69.07073	2.1
69.35667	0.4
70.06596	1.1
71.04993	1.0
71.56550	0.4
79.05507	1.5
81.07060	6.9
83.08606	0.9
85.02917	1.6
86.09736	0.6
91.05489	1.6
93.07059	3.2
95.08611	11.0
96.08975	0.6
97.02921	0.7
97.10204	0.9
98.97585	0.5
105.07029	2.6
107.08600	5.3
109.10168	4.9
113.02186	0.6
114.03789	1.1
119.01074	4.6
119.08583	2.3
121.10155	4.4
123.11715	2.5
131.08604	1.0
133.10139	2.1
135.11688	2.8
137.02109	2.9
137.13242	2.0
145.10158	1.3
145.96074	0.4
147.11725	1.4
149.13272	2.8
155.03185	0.8
159.11748	1.4
161.13312	1.8
163.00113	1.5
163.14912	1.2
166.03270	0.8
169.04796	1.1
173.13329	0.8
174.98880	0.6
175.14891	1.3
177.16489	0.9
181.01141	1.7
182.99673	0.5
184.04214	0.6
187.14870	0.9
189.16417	0.6
191.14362	0.5
191.18019	1.1
199.02243	1.5
201.16455	0.8
203.18030	1.2
205.19641	1.1
215.05359	1.6
215.18027	0.7
217.03198	6.5
229.19547	1.5
239.05328	1.2
247.20592	0.6
251.05388	0.6
257.05966	2.2
269.06473	1.6
273.09167	0.6
283.07681	1.5
301.08945	12.9
313.05374	0.5
319.10269	0.5
331.06500	1.2
349.07419	6.5
361.11108	7.8
381.34912	0.4
385.11032	8.2
385.15445	0.8
397.11188	1.2
407.36880	0.6
415.12119	8.7
425.38019	0.7
433.13071	2.8
455.06812	0.6
459.11423	1.2
477.12195	28.9
495.13223	6.1
495.19711	0.6
512.17010	0.4
785.48474	3.2
919.50287	100.0
920.50732	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	915.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	5.4
67.08599	1.2
68.94166	1.3
69.03413	5.7
69.07053	4.7
69.91473	5.2
70.06581	3.2
71.04979	1.2
72.08121	1.4
73.02918	1.5
79.05478	2.4
79.66106	1.3
81.03411	10.0
81.07056	4.7
84.08129	1.5
85.02895	5.4
86.09675	1.7
91.05468	8.6
92.01512	1.3
93.07033	3.7
94.06570	8.3
95.04959	2.9
95.08585	4.7
96.04534	1.7
97.02876	3.9
97.10172	1.3
98.79556	1.3
99.04473	1.3
105.07030	2.6
107.04936	2.4
107.08588	3.7
108.08122	7.3
109.02863	6.2
109.10149	3.7
119.04951	2.8
119.08577	3.8
120.04427	1.4
120.08086	4.8
121.02924	1.8
121.10152	3.4
122.06024	20.1
122.09643	1.8
123.04411	1.7
124.07610	2.1
127.03898	4.4
133.10107	4.4
134.06004	4.5
136.07591	9.8
137.04999	2.1
137.05978	26.5
140.07060	7.7
145.10161	1.9
146.05978	5.1
147.11609	3.0
148.07567	11.3
149.13278	2.5
152.07094	1.4
153.00822	1.6
154.08617	4.0
159.11752	1.4
160.07585	2.9
162.09129	2.5
163.14847	2.0
164.07042	5.1
166.05009	1.8
166.08604	3.7
172.03899	3.8
172.07420	1.3
174.05545	4.6
174.09125	2.8
175.14807	2.7
176.07095	2.6
177.05429	1.5
178.08647	1.4
187.14894	1.9
188.07045	1.9
189.16383	1.9
190.04997	3.7
191.07086	2.8
191.17982	3.8
196.07658	1.8
196.09717	1.5
198.09215	1.4
200.07201	2.0
202.08589	2.0
204.06563	6.2
206.08063	3.0
208.09735	4.5
209.10504	2.4
210.11401	2.3
211.08688	3.3
211.12164	3.1
213.10246	2.1
214.08621	1.8
221.10840	2.8
222.11443	2.7
223.08701	8.0
223.12262	4.7
224.09343	2.4
224.13043	3.4
225.10223	17.7
225.13875	5.3
226.11012	4.0
227.11758	5.3
235.08638	8.5
235.12247	3.4
236.09398	5.1
236.13054	2.0
237.10188	19.2
237.13753	8.7
238.10965	17.7
239.11813	21.8
240.12563	7.1
241.09567	1.7
241.13379	3.3
247.12283	2.0
248.09433	4.6
248.13133	1.5
249.10236	17.2
249.13882	2.3
250.11002	21.6
251.08275	6.5
251.11800	66.5
252.12610	11.7
253.09747	3.8
253.13382	19.0
254.14131	2.6
255.06464	2.2
255.11157	2.2
261.07605	2.2
261.10141	2.6
262.11099	4.0
263.07813	2.4
263.08740	2.1
263.11853	40.1
264.09195	3.6
264.12567	11.8
265.09769	14.9
265.13333	76.7
266.10645	9.0
266.13995	8.8
267.11365	9.0
267.14816	8.3
268.11917	2.0
269.12759	3.9
274.10739	3.3
275.11713	6.3
276.12543	4.0
277.09708	14.5
277.13287	7.9
278.10339	15.9
279.11298	66.0
280.12094	8.5
281.12888	13.1
282.13684	2.2
283.10678	9.3
283.13849	2.3
284.11581	1.8
285.12418	4.5
291.11282	20.1
292.11746	7.3
293.09622	1.3
293.12830	39.1
294.13547	5.1
295.10818	5.5
295.14395	13.1
296.11362	12.3
297.12332	18.3
298.13092	5.0
299.13998	8.7
301.13327	1.5
303.11365	2.3
303.14844	1.7
305.12750	4.5
307.10617	5.5
309.12366	20.2
310.13022	11.4
311.13898	59.7
312.14868	1.4
313.15408	5.6
317.12735	1.8
319.10706	8.4
321.12384	26.2
323.13852	5.9
324.10931	2.2
324.14474	1.9
325.15457	3.0
327.13800	1.6
328.14471	1.7
337.11862	12.3
338.12735	3.3
339.13361	23.6
341.15228	3.6
344.13916	2.7
347.13779	1.6
349.11743	1.8
351.13397	5.1
352.14017	2.8
353.15002	24.7
355.16611	3.1
356.13852	2.1
358.15518	3.3
365.15027	1.7
369.14389	10.4
370.15265	3.6
371.16083	34.6
372.16855	5.1
373.17810	1.9
377.15024	2.9
379.12582	2.6
381.14273	5.5
383.15683	2.4
386.18994	3.0
393.14343	2.2
395.16092	4.9
397.17679	2.4
400.16330	5.2
401.17184	1.5
402.18344	1.9
407.16031	2.9
407.36838	3.3
409.18222	2.0
411.15356	5.4
412.16205	1.9
413.17184	14.6
414.18350	7.0
416.19492	4.4
419.16080	4.1
423.15411	4.7
425.16931	2.1
427.18936	2.1
432.19061	4.5
432.24509	2.0
435.15378	9.0
437.17123	17.7
439.19000	2.4
440.15775	3.8
441.16464	7.5
442.17438	8.9
447.15500	5.4
453.16678	9.7
454.17252	4.5
455.18030	17.7
458.16968	1.7
460.18887	6.8
462.20477	1.7
463.15073	9.8
464.15863	2.7
465.16614	28.3
466.16852	2.0
473.19180	1.6
474.20428	11.6
479.18048	5.2
480.20822	5.7
481.15973	21.4
482.16776	7.3
483.10828	2.5
483.17642	37.8
484.19553	1.5
485.19354	1.8
492.21439	10.0
494.23126	9.0
495.17358	9.1
497.19199	53.7
498.20325	1.6
513.18805	25.2
514.19452	5.0
515.20300	75.4
516.20361	2.1
522.21484	1.9
533.21216	4.2
534.22430	13.7
540.21094	6.1
542.22662	5.9
558.22614	6.7
560.23706	2.8
568.20917	10.8
570.22406	1.7
576.23163	4.0
578.24298	2.5
582.23071	2.1
583.25171	5.3
586.21777	32.8
587.22198	3.3
588.23578	13.3
594.24255	4.6
600.23444	74.3
601.25494	7.4
602.24640	3.4
604.22900	30.4
605.23560	4.6
606.24475	15.5
615.27655	5.7
618.24463	68.1
619.25427	14.5
620.26270	10.3
622.24017	30.5
623.23901	2.0
624.25293	4.3
636.25519	100.0
637.26068	12.5
638.26715	7.5
643.27380	1.9
653.23291	4.3
654.26428	8.3
655.26971	3.8
656.27332	2.5
667.35663	3.6
675.29840	4.0
681.29193	4.4
691.28094	7.7
709.28650	32.9
723.30267	27.8
727.29791	15.3
741.31329	39.4
742.26300	5.7
745.30688	18.2
759.32410	11.7
774.29846	2.4
777.33160	8.4
871.42957	3.9
915.40668	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	914.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	0.7
67.05169	0.6
67.05508	11.1
69.03432	12.7
69.07069	12.6
70.56427	0.8
70.56802	0.9
71.01356	2.8
71.04995	40.3
71.08641	0.6
72.39877	0.4
73.02918	11.7
75.04472	4.4
79.05499	6.1
81.03428	1.3
81.07059	35.4
83.04986	19.0
83.08622	8.0
85.02906	78.3
85.06554	0.6
87.04476	2.3
91.05471	5.2
93.07050	16.6
95.01335	4.0
95.04987	2.2
95.08609	62.2
97.02892	28.4
97.06538	0.8
97.10169	5.5
98.20777	0.4
99.00808	1.0
99.04468	2.5
99.08082	1.0
101.06032	0.8
103.03951	1.3
103.62743	0.4
105.07030	12.3
107.04966	0.5
107.08595	30.9
109.02886	1.3
109.06519	1.4
109.10158	37.5
111.04447	19.6
111.08099	0.4
111.11721	2.1
113.02378	3.2
113.06018	1.4
113.09608	0.5
115.03934	16.5
117.05480	1.8
117.07022	1.3
118.79215	0.4
119.08582	17.8
121.02865	0.4
121.10146	33.0
123.04451	0.5
123.08090	0.6
123.11707	20.7
125.02325	0.6
125.05975	0.4
125.09657	0.9
125.13272	0.7
127.03921	1.7
129.05484	26.1
129.46262	0.4
131.03381	0.7
131.08569	6.3
133.04962	3.4
133.10138	17.0
135.04425	0.8
135.11697	20.9
137.02338	0.6
137.06001	0.5
137.09618	0.7
137.13254	21.0
139.03896	2.3
139.11192	1.6
141.01836	21.1
141.05467	0.4
143.03455	0.6
143.08589	0.9
145.04945	0.6
145.10121	7.7
146.08147	1.2
147.06522	16.2
147.11688	11.7
149.13263	24.6
151.03947	0.5
151.07471	0.4
151.11218	0.7
151.14787	1.9
153.05415	0.7
155.03368	0.7
157.04968	2.9
157.10179	1.3
159.02898	10.5
159.11693	9.8
160.12444	0.6
161.13257	16.0
163.06029	3.0
163.11179	1.7
163.14830	11.1
164.09201	3.4
165.01877	0.5
165.05533	0.5
165.07593	1.3
165.12772	1.0
169.04977	1.3
171.06584	1.8
171.11670	1.6
173.04366	0.4
173.13255	7.0
175.14830	12.5
177.03963	1.4
177.12834	1.1
177.16389	21.0
179.07082	0.7
179.17902	2.5
181.05005	0.8
183.02917	0.6
183.06526	0.6
185.13255	1.5
186.14125	0.5
187.06067	1.2
187.14819	6.1
189.16383	11.0
191.14346	0.7
191.17950	17.9
193.15892	0.6
193.19481	0.7
199.06029	1.2
199.14896	1.2
201.04004	0.6
201.07643	0.5
201.16389	8.4
203.16013	0.6
203.17950	15.0
205.16118	2.4
205.19531	20.6
207.17476	3.2
213.04027	0.6
213.07617	0.6
213.16463	1.5
215.17960	11.8
217.07082	2.5
217.19514	13.0
219.05009	1.3
219.17464	5.1
219.21027	3.2
221.18994	3.6
225.04198	0.5
225.07574	14.2
227.05611	0.4
227.17979	1.9
229.19522	13.6
231.08690	1.0
231.21066	4.4
233.19019	9.5
235.20555	0.8
241.07153	0.5
241.19566	1.8
243.08636	9.3
243.21132	2.8
245.22696	2.5
247.20621	5.5
253.19588	0.4
255.04933	2.3
255.21097	2.4
257.22653	5.6
259.08200	0.5
259.20590	0.9
261.09726	3.4
261.22266	1.0
269.06567	3.5
269.22644	3.6
271.24359	2.0
273.06076	3.9
273.22305	2.0
275.23694	5.5
279.10760	21.0
283.24252	1.6
285.25781	0.7
287.07544	6.1
287.23715	2.7
291.07098	2.7
296.13394	0.6
297.25797	1.4
301.25302	2.0
305.08682	10.1
305.11978	0.7
309.08176	3.1
311.27374	0.4
313.28815	1.9
315.26904	0.4
323.09744	5.3
337.28879	0.7
339.30487	0.5
341.28226	0.6
351.30096	0.5
353.31946	2.0
365.32245	0.5
383.33054	0.5
401.10812	1.2
407.36743	33.4
408.36987	0.5
419.11688	0.5
425.37787	100.0
426.37994	1.6
713.29749	0.4
777.23267	0.4
858.03473	0.5
914.51746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	4.1
69.03415	4.4
69.07053	3.1
70.06590	1.8
71.04988	2.4
73.02934	1.5
73.68386	1.1
81.03413	8.7
81.07058	2.4
81.37689	1.1
83.04971	2.9
85.02892	5.2
86.06070	1.9
91.05482	3.0
93.07055	2.4
94.06555	4.0
95.04956	1.9
95.08596	2.1
97.02882	3.5
97.06525	1.1
98.97569	2.4
99.04462	1.2
105.07027	1.6
107.04926	2.1
107.08602	1.3
108.08136	6.9
109.02868	4.7
116.98636	1.1
119.08549	1.4
120.04498	1.5
120.08110	1.5
121.05648	1.0
121.06481	1.9
122.06046	14.0
123.04425	1.3
124.07561	1.9
127.03906	5.5
130.04999	2.5
131.04921	2.3
134.06000	4.3
134.09602	1.1
136.07588	8.6
137.05943	6.8
138.06288	1.1
140.07042	3.4
140.98657	1.2
146.06010	2.4
146.09685	1.6
148.07605	6.2
149.05980	1.7
151.03926	1.8
151.07564	1.9
160.07555	1.1
162.09123	1.5
163.03868	1.1
164.07097	2.8
166.08684	3.0
167.07037	5.0
172.03937	1.1
172.07516	1.9
174.05475	2.3
174.09113	1.0
177.05499	2.2
178.08568	1.5
179.03458	1.4
181.04994	1.5
199.12309	1.6
202.08600	1.4
204.06528	2.2
207.06496	1.8
208.09616	1.8
211.08632	1.4
211.12270	2.4
219.01698	1.6
221.10745	2.3
222.11473	1.5
223.08589	6.3
223.12289	3.9
224.09317	1.4
224.13045	2.2
225.10231	17.0
225.13831	2.8
226.10936	3.6
227.11774	5.0
232.09753	1.4
233.10608	1.2
234.09125	1.3
235.08595	5.7
236.09476	4.4
237.10222	16.9
237.13887	4.9
238.10947	10.1
239.11812	14.9
239.15468	1.5
240.12494	6.4
241.09610	1.6
241.13390	3.6
243.11304	1.5
245.14862	1.3
247.12361	1.3
248.09613	3.7
249.10257	11.1
249.69737	1.1
250.10953	14.5
251.08092	4.6
251.11794	48.7
252.08865	1.8
252.12636	9.1
253.09654	3.6
253.13383	17.1
254.14076	2.8
255.06665	1.9
255.11174	2.0
262.11057	2.2
263.08752	1.4
263.11771	28.4
264.08826	2.0
264.12579	7.9
265.09799	11.5
265.13342	57.1
266.10629	6.8
266.14117	5.4
267.11325	7.5
267.14795	6.3
268.11926	2.8
269.12878	2.9
271.10724	1.4
275.11609	2.4
276.10034	1.4
276.12784	1.6
277.09647	6.4
277.13281	5.0
278.10370	9.0
279.11285	30.3
280.12225	6.3
281.12848	10.9
282.13641	2.3
283.10794	8.0
283.13879	1.5
284.11655	1.8
285.07474	2.5
285.12283	4.7
289.13281	1.4
291.11258	11.4
292.12030	4.7
293.09613	1.2
293.12833	31.3
294.13544	4.4
295.10815	4.9
295.14377	9.8
296.11578	3.6
297.12338	11.5
298.13037	3.9
299.13922	6.5
303.08640	3.0
305.09225	1.4
305.12836	2.0
307.10739	4.6
309.12311	16.0
310.12967	3.3
311.13910	39.8
312.14655	3.3
313.11948	2.0
313.15494	6.8
316.14319	1.6
319.10657	5.8
319.14035	1.4
321.12286	17.5
322.13275	1.5
323.13849	4.7
325.15408	1.9
327.14441	1.5
329.15417	1.5
335.13953	1.7
337.11584	5.5
338.12427	1.9
339.13306	11.0
340.14157	1.5
341.14786	3.8
343.13327	1.3
344.13992	2.8
349.11581	1.2
351.13403	5.3
352.14017	1.8
353.14951	17.8
355.16400	3.7
357.14514	3.0
358.15454	2.3
359.16443	1.6
360.17139	1.9
363.12653	1.1
368.25760	2.5
369.14426	10.4
371.16037	18.9
372.16843	3.8
381.14362	3.3
383.15854	3.1
384.16977	1.8
386.18768	2.5
386.26831	1.8
393.14218	1.5
395.16135	2.0
397.17819	1.8
398.18570	1.7
399.15796	1.7
400.16284	3.7
401.16833	1.5
411.15579	5.2
412.16617	2.0
413.17010	6.9
414.18411	5.0
416.19635	3.1
419.16382	1.3
421.17938	1.8
423.15442	2.4
424.16299	1.5
425.11523	1.6
425.17108	1.7
427.18848	1.7
430.17493	1.7
432.19003	4.7
435.15237	3.2
437.17261	7.8
439.19458	1.5
440.15765	2.1
441.16602	4.3
442.17480	4.9
446.20663	1.5
447.15341	2.0
453.16782	5.9
454.17184	3.1
455.18195	12.1
456.19009	1.3
460.18475	3.4
460.30545	5.6
462.19839	2.0
463.15118	3.5
465.16574	9.5
467.18515	2.0
473.18991	4.2
474.20355	9.1
476.21976	1.8
479.18008	3.5
480.21036	1.9
481.16052	6.9
482.16696	4.8
483.17581	13.9
485.19394	1.5
492.21429	11.1
494.22784	7.1
495.17722	5.0
497.19339	13.2
499.16898	2.4
501.18948	2.0
513.18756	22.6
514.19684	2.6
515.20258	35.7
526.20227	1.4
533.21240	1.8
534.22168	8.9
540.21027	4.4
542.22681	2.8
558.22034	4.6
560.23462	1.4
564.22302	1.3
568.20612	3.9
570.21765	1.7
576.23077	3.4
583.25146	2.6
586.21881	12.6
588.23602	5.6
594.24646	5.2
600.23407	45.5
601.23926	4.6
602.24200	1.4
604.22913	9.3
606.24353	6.2
615.28290	7.5
618.24493	54.0
619.24994	9.1
620.26019	11.1
622.23761	2.6
633.28650	3.0
636.25519	100.0
637.25543	4.1
638.26361	3.9
643.27448	1.9
649.25873	2.7
651.27380	7.7
654.27057	5.2
656.27563	3.0
663.28094	1.4
675.30359	6.2
681.28906	1.5
690.46771	1.4
691.26831	2.1
709.28491	11.4
722.28137	1.8
723.17688	1.4
723.30267	26.0
727.29559	6.6
729.02106	1.2
740.30377	31.4
741.31256	47.0
742.31720	2.4
745.31201	5.1
751.25684	1.1
754.31250	1.6
758.30786	4.0
759.32245	17.8
772.32886	22.0
777.19775	1.7
777.33362	20.0
778.32837	1.4
790.32513	2.0
819.27771	1.3
863.34729	1.4
881.38269	1.2
913.45367	5.6
934.27484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.4
67.05499	4.4
69.03428	6.3
69.07061	4.5
69.41090	10.7
70.06593	2.9
71.05006	2.1
79.05523	1.6
81.03424	7.3
83.04975	4.3
84.05630	1.3
85.02901	6.8
91.05464	1.9
92.99895	1.4
93.07043	2.2
94.06577	7.7
95.60481	1.4
97.02881	3.3
98.97591	1.6
105.07071	1.8
107.05045	1.8
108.08121	8.9
109.02879	6.4
119.08523	1.5
120.04456	3.2
120.08095	4.8
122.06023	18.6
124.07604	1.6
127.03914	6.3
134.06009	5.6
136.07591	14.2
137.05940	4.4
140.07068	5.0
144.08186	2.0
146.06013	5.5
148.07591	9.8
150.09111	1.8
152.07013	3.1
160.07501	1.9
162.09094	2.1
164.07060	5.1
166.08636	4.4
167.07083	2.9
172.03967	2.1
174.05519	3.4
174.09067	1.9
177.05472	2.1
178.08600	1.8
186.39923	1.6
190.08687	1.9
192.06688	1.7
198.09306	1.7
199.08731	1.7
200.07047	1.8
202.08546	1.6
204.06529	6.0
206.08171	2.5
208.09650	2.6
209.10803	2.4
210.11508	2.7
211.08588	2.2
211.12404	2.9
213.10193	3.3
215.11798	3.1
222.11345	2.6
223.08707	6.1
223.12350	6.3
224.10896	2.2
224.12955	2.5
225.10231	24.5
225.13853	5.5
226.10912	5.1
227.11832	6.7
232.09654	2.0
234.11459	2.1
235.08675	7.2
235.12364	5.6
236.09329	8.7
236.13118	2.3
237.10226	18.4
237.13797	9.4
238.11005	17.8
238.14622	2.0
239.11792	30.0
240.12518	9.9
241.13397	5.7
243.11276	7.4
247.12251	3.6
248.09315	4.1
248.13237	2.1
249.10275	18.5
250.10947	21.8
251.08110	8.7
251.11819	74.9
252.12537	14.4
253.09744	7.5
253.13394	20.1
254.14119	4.0
255.11272	2.2
255.15074	2.1
262.11127	3.6
263.08905	3.1
263.11819	40.9
264.09079	3.9
264.12567	8.4
265.09769	17.5
265.13364	88.4
266.10544	14.0
266.13992	7.5
267.11423	11.9
267.14792	9.1
268.12064	4.4
269.12851	2.8
275.11609	3.6
276.09921	3.0
276.12689	3.2
277.09741	12.6
277.13370	7.4
278.10471	7.1
279.08374	3.4
279.11313	45.3
280.12106	10.5
281.09897	2.2
281.12848	13.6
282.13651	2.4
283.10797	11.3
283.13831	3.0
284.11734	2.9
285.12323	11.1
291.11316	19.0
292.12006	5.9
293.09674	2.1
293.12860	40.3
294.13696	5.6
295.10812	7.6
295.14417	16.7
296.11444	5.1
297.12433	17.8
298.13199	7.5
299.14035	10.9
305.09320	3.3
305.12750	3.7
307.10754	6.0
307.14142	2.7
309.12360	17.1
310.13043	5.2
311.13889	59.0
312.14716	2.4
313.15585	8.9
317.12759	1.9
319.10751	9.4
319.14319	2.6
320.11444	2.3
321.12399	28.9
322.13333	2.0
323.13828	6.5
324.14572	1.8
325.15509	2.0
330.16147	2.4
335.13834	2.5
337.11859	10.5
337.15448	2.8
338.12592	4.8
339.13422	18.7
341.14996	5.6
344.13974	2.8
351.13287	7.2
352.14273	2.7
353.14987	22.9
355.16653	6.9
357.14624	3.4
358.15912	2.5
359.16589	2.9
365.14984	1.9
369.14526	11.4
370.15628	3.2
371.16049	28.4
372.17130	5.6
380.13815	1.6
381.14435	6.2
383.16098	3.6
386.18817	3.1
395.16071	2.6
398.18457	2.0
400.16525	3.8
401.17371	2.4
405.14456	2.3
407.15948	3.1
409.17722	2.5
411.15491	9.7
413.17188	10.5
414.18225	7.5
416.19583	4.7
419.16446	3.1
421.17438	3.6
423.15329	4.0
425.16968	1.9
427.18845	2.9
430.17828	2.1
431.18127	2.2
432.19159	3.8
434.20856	1.9
435.15765	7.5
437.17178	18.0
439.18658	3.0
440.15866	3.7
441.16586	5.7
442.17670	9.1
447.15933	5.2
453.16595	10.1
455.18185	21.3
457.19724	3.4
460.18796	6.0
462.20056	2.0
463.15012	6.6
464.15662	3.2
465.16504	23.1
467.18054	4.4
471.17526	2.3
473.19247	8.0
474.19980	8.7
476.22400	1.8
479.18204	4.7
480.21143	3.3
481.15921	10.8
482.16824	6.2
483.17712	27.4
484.18304	2.7
485.18835	2.2
492.21472	8.7
494.22626	7.5
495.17587	6.3
497.19174	30.3
501.18481	3.5
502.19839	3.0
513.18701	24.4
514.19226	2.1
515.20288	71.0
516.21014	3.0
533.21698	2.3
534.22217	13.0
540.21100	6.3
542.22632	4.6
558.22638	8.6
560.23798	2.5
568.20789	8.0
576.23114	5.2
578.24854	2.7
583.24481	3.2
586.21777	25.2
587.21497	2.5
588.23468	10.8
594.24579	2.2
600.23474	59.0
601.24298	11.5
602.25409	3.1
604.22937	22.1
605.23895	2.3
606.24548	12.7
615.27991	7.2
617.23132	4.0
618.24487	77.5
619.24988	17.8
620.25897	9.2
622.23602	3.4
624.25403	5.7
636.25549	100.0
637.26147	9.7
638.27374	8.6
643.27826	2.7
649.25995	5.7
651.17676	2.8
651.27734	25.8
654.26184	7.3
655.27094	3.0
656.27704	6.2
675.30359	7.1
691.27563	4.8
704.27924	2.5
709.28766	17.7
722.28619	4.1
723.30280	28.8
724.30585	2.1
727.29614	14.1
740.30267	81.5
741.31281	59.8
742.32434	3.0
745.31097	7.9
758.31152	2.8
759.32263	25.2
772.32770	23.7
777.33411	22.7
790.30457	2.2
845.34790	2.6
881.37134	2.7
913.39685	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	910.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	1.6
67.05510	22.2
68.92747	0.7
69.03436	7.1
69.07072	18.9
70.06602	3.6
70.67986	2.2
71.01380	1.6
71.04997	2.9
72.66811	0.8
73.02925	5.5
79.05498	17.9
80.53117	0.7
81.03423	5.9
81.07060	22.8
81.07518	1.2
83.05001	3.1
83.08624	7.4
85.02910	8.2
85.06541	0.9
86.06070	0.8
87.04489	1.5
89.06043	4.5
91.03969	3.9
91.05481	14.4
93.07048	12.1
95.04975	3.4
95.08615	13.6
96.08144	1.1
97.02891	7.8
97.06554	2.8
97.10184	7.7
99.04449	1.4
99.08102	1.3
101.02405	1.9
103.05492	1.7
105.07036	10.8
107.04975	2.8
107.08591	10.6
107.09183	0.9
108.68060	0.7
109.02896	2.0
109.06550	2.5
109.10177	5.2
109.10819	0.7
111.08138	1.4
115.05514	1.2
117.07036	3.4
117.80161	0.7
119.04983	2.0
119.08578	8.4
121.06538	2.0
121.10145	4.2
123.04472	2.4
123.08113	1.5
123.11740	2.2
125.09689	2.5
127.03940	2.2
129.07018	2.0
131.04945	2.9
131.08540	3.5
132.05710	0.8
133.06560	1.3
133.08658	2.3
133.10107	5.8
135.08109	1.8
135.11728	3.2
137.05981	8.5
137.09738	0.9
138.12837	0.9
141.07031	1.3
143.05017	1.7
143.08574	1.0
144.08087	1.1
145.05052	1.9
145.06473	1.3
145.10188	3.5
146.06087	1.1
147.04463	1.8
147.11678	4.2
148.05258	1.5
149.05960	4.5
149.09665	2.2
149.13268	1.7
150.06778	1.2
151.07654	0.9
155.08607	1.3
155.46956	0.7
157.06575	1.5
159.08102	1.1
159.11763	2.8
160.07568	1.0
161.06012	4.6
161.13274	1.3
162.05525	6.6
162.06697	1.1
162.09323	0.9
163.06366	1.4
163.07632	1.6
163.11224	1.5
164.07072	24.4
172.07637	0.9
173.05969	6.6
173.13179	0.8
175.06314	3.1
175.07619	4.2
176.07074	5.6
177.07860	36.6
177.11258	1.9
177.12791	1.0
178.08603	4.6
184.07672	0.7
187.07628	2.8
188.07161	2.2
189.07889	1.2
189.11293	2.2
190.08641	22.3
190.10219	1.1
191.09416	15.5
191.11018	0.9
195.13943	0.8
199.07639	1.1
201.09253	1.2
202.08769	1.6
203.09511	1.2
204.10156	5.3
216.10220	1.3
227.12859	1.9
253.18135	1.8
257.15466	1.0
269.17664	2.2
272.16577	1.1
274.15033	1.8
274.18024	34.8
275.20023	1.9
284.16400	1.3
300.15967	4.4
302.17529	52.0
310.42932	0.8
318.16983	1.9
319.18094	1.6
320.18582	31.4
328.19189	1.1
332.18793	0.9
346.20236	2.7
349.24008	2.2
351.10321	0.7
358.20331	2.2
374.19571	0.9
376.21277	10.0
392.21069	1.2
393.21686	1.5
394.22269	17.8
398.23297	0.9
448.23514	1.1
494.61316	0.8
518.31531	2.3
546.30542	3.5
570.34717	2.6
572.36212	2.7
574.33881	2.7
588.35382	7.0
590.33600	1.5
599.34930	4.0
640.41644	1.3
650.40503	1.9
668.41608	41.2
686.42670	14.7
694.43097	1.3
708.36414	2.3
712.44128	12.2
730.45435	14.3
732.39734	1.7
745.33612	0.8
752.39374	0.8
761.40515	2.0
798.49609	0.9
812.45837	1.2
830.47034	25.2
831.48938	1.0
848.47961	60.1
856.48346	1.6
874.49530	16.9
886.56305	0.8
892.50574	100.0
893.50403	2.3
910.51691	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	909.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	0.3
67.05505	3.0
69.03075	0.3
69.03435	3.9
69.03807	0.3
69.07062	0.8
71.01361	0.5
71.05001	0.6
71.08630	0.2
73.02924	4.1
79.05496	2.6
81.03412	1.7
81.07059	4.5
83.08640	0.4
85.02909	6.4
87.04492	0.5
89.06065	0.3
91.03965	4.1
91.05497	1.7
93.07046	2.9
95.04977	0.3
95.08613	2.5
97.02897	6.4
97.06541	0.2
98.20703	0.3
99.04446	1.0
103.03950	0.5
103.05489	0.2
103.70740	0.1
105.07032	1.4
107.08589	1.3
109.02900	1.1
109.10163	1.0
115.03961	0.5
119.08591	1.1
121.06530	0.6
121.10169	1.6
122.42541	0.1
123.08084	0.2
123.11763	0.6
127.03922	2.0
129.05588	0.2
131.08614	0.6
133.10201	0.4
135.11702	0.8
145.04980	0.6
145.10146	0.3
147.11667	1.7
149.13318	0.4
159.11742	0.2
161.13300	0.2
165.12828	0.5
169.07037	0.1
173.13390	0.2
183.86739	0.2
185.04224	1.1
201.50021	0.1
203.05327	1.0
213.09790	0.2
225.13249	0.2
229.09140	0.2
243.08417	1.8
243.14709	0.2
251.11432	0.7
251.12625	0.6
259.07898	0.2
261.22269	0.2
267.15970	0.3
269.12405	1.6
272.20309	0.2
274.13229	0.2
287.13477	0.6
289.08936	0.2
301.20053	0.7
305.08200	0.3
307.15332	0.6
325.15283	0.4
335.25806	1.2
337.26639	0.2
347.09500	2.9
347.13635	0.1
363.09271	0.4
365.10571	1.3
405.13684	4.8
421.12680	0.2
425.21689	0.6
443.25351	0.2
469.20456	7.1
519.29309	6.5
585.37311	0.3
622.04419	0.2
631.25372	4.3
681.34576	6.9
703.43414	0.4
739.36902	0.2
747.42310	3.0
865.49890	0.2
909.48132	100.0
910.48511	2.8
927.42072	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56686	0.2
76.00140	0.2
77.75841	0.3
85.02901	0.5
91.05481	1.0
94.04207	0.6
98.30458	0.2
100.72195	0.2
103.03984	0.2
107.04947	0.4
109.06521	0.5
115.05468	6.4
115.06268	0.3
119.04955	1.4
121.02895	1.3
122.03670	1.8
125.06071	0.3
137.05986	45.7
138.06396	0.3
143.04933	28.4
144.05693	0.4
147.08052	0.3
151.07576	4.0
160.05223	2.9
160.43495	0.3
161.05972	1.5
163.06303	4.0
163.07536	0.6
164.07071	4.7
164.08388	0.4
165.09134	0.2
168.63669	0.3
175.07564	24.8
176.08134	0.2
178.08646	77.9
179.08600	2.0
189.01833	0.4
203.03384	0.4
207.08011	3.6
221.10866	0.4
224.08342	0.9
225.09070	0.4
230.95625	0.2
235.07570	2.2
239.10690	3.5
252.07816	0.8
267.10193	4.7
268.10931	0.5
269.08133	0.3
281.11688	0.3
283.06097	0.4
284.10468	1.0
294.05255	1.2
295.06046	4.7
296.06796	0.3
297.07510	0.3
299.12799	13.8
307.06094	2.8
308.06778	1.1
309.07574	0.6
311.05496	0.7
316.15454	100.0
317.15857	1.0
319.06143	0.5
321.07623	1.8
322.08398	0.6
323.05591	0.4
323.09079	0.6
325.07071	7.7
325.10944	0.4
333.07578	0.9
335.09140	1.2
337.07080	4.3
347.09128	0.7
349.07095	2.5
351.08759	1.9
355.08316	0.6
361.06900	1.2
363.08670	0.6
365.06448	0.3
365.10349	0.8
367.08069	0.4
373.06882	0.3
375.08578	0.8
379.08215	3.3
381.02985	0.4
391.08090	2.4
399.03754	0.3
403.08023	1.8
409.09192	2.6
411.03912	0.3
415.08755	0.3
421.09183	0.9
425.16855	0.3
427.10513	1.2
432.83325	0.3
439.10251	0.9
441.05234	0.4
445.09906	0.3
450.17294	0.6
457.11353	7.2
461.10822	0.3
463.10297	0.5
464.19467	0.3
475.12476	2.4
481.11404	1.5
499.12387	2.5
511.12543	2.5
523.12183	0.8
529.13312	2.4
541.13171	1.5
559.14551	2.4
577.15552	6.9
595.16327	7.0
614.13672	0.3
633.11285	0.7
713.25574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	6.3
67.35558	0.7
68.99790	1.5
69.03433	13.6
69.07071	31.7
70.06588	2.9
71.04989	3.2
71.08622	2.1
71.36967	0.9
71.37345	1.7
73.02916	3.3
79.05500	2.9
80.05043	0.9
81.03419	16.8
81.07060	11.0
83.04986	3.1
83.08620	100.0
84.08938	0.8
85.02907	29.9
85.06542	0.8
87.00835	10.3
87.04474	8.8
89.06033	66.1
91.03957	1.2
91.05470	5.2
93.07040	3.0
95.04990	3.8
95.08618	5.8
97.02887	10.9
97.06559	1.9
97.10172	35.4
99.04476	5.2
101.02389	1.5
101.05994	1.1
103.03972	1.3
103.07614	1.2
105.01880	5.9
105.07036	2.5
107.07040	0.8
107.08599	2.4
109.02881	18.5
109.03587	1.3
109.06532	1.4
109.10159	2.4
111.04450	3.1
111.08097	0.9
111.11745	1.1
114.96593	0.7
117.01872	0.9
117.07009	0.9
117.09145	2.5
119.04924	0.9
119.08602	2.9
121.06521	2.0
121.10143	1.8
123.11736	1.3
127.03925	21.2
129.01846	1.9
130.08685	1.4
131.07054	4.9
131.08540	1.2
133.08606	51.7
133.10223	1.4
135.11731	1.7
137.05951	6.7
137.13268	1.1
139.14874	1.5
145.04971	7.1
145.10129	0.8
147.10149	1.6
147.11751	1.2
149.06009	1.9
151.07570	0.8
155.14284	3.8
157.15881	24.0
159.02896	3.7
159.11687	1.2
161.11742	0.7
164.07130	2.2
166.08559	0.8
167.07088	2.2
171.02893	0.9
175.09656	5.5
175.16953	5.2
177.07886	1.9
177.11237	27.6
178.08553	1.1
189.04019	1.3
191.12909	0.8
197.15485	1.1
201.18629	0.8
213.04002	4.2
215.18013	1.2
215.20070	22.1
219.12410	1.0
221.13849	7.8
231.05049	2.9
233.21107	1.3
237.10304	0.9
237.13168	1.0
239.14996	1.3
248.20082	1.0
265.16571	2.9
271.08234	0.9
273.24261	10.2
274.18146	1.4
283.17322	4.7
289.09177	1.7
301.20071	0.9
302.17706	2.3
309.19153	2.1
320.18634	2.3
327.20142	3.7
344.18179	1.0
353.21622	4.3
369.19211	0.9
371.22772	34.3
394.22287	1.0
402.26453	1.7
411.25900	10.5
415.25677	0.9
429.27042	8.0
469.30133	4.1
566.40356	1.2
643.46216	13.1
648.34863	0.8
684.41455	1.2
702.45886	0.9
710.41876	0.8
728.43481	4.2
746.44330	2.3
864.50488	1.5
890.49158	3.4
908.52515	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	908.6519
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	1.2
69.03429	1.3
69.07048	3.8
71.08635	77.9
71.55028	1.3
73.02892	3.8
73.06540	4.0
79.05484	1.7
81.07070	1.5
83.08605	3.1
85.06523	1.3
85.10188	79.9
87.04475	25.6
89.06036	100.0
91.05472	1.8
91.37315	1.1
93.07034	1.8
95.04974	1.6
96.98966	1.3
97.10098	1.4
99.11746	7.4
101.09628	1.9
103.07579	1.3
107.07060	2.4
113.06004	1.2
117.09140	10.5
121.06489	5.2
122.06814	1.3
130.08655	2.4
131.07056	9.4
133.08612	86.3
141.16385	8.6
161.11703	2.2
175.09671	6.9
177.11227	34.7
199.20593	18.2
219.12297	2.7
221.13812	7.8
223.15167	1.0
240.23332	2.1
257.24811	8.6
265.16409	2.4
272.20074	2.8
273.20248	2.1
283.17468	2.4
309.18991	1.7
353.21432	2.3
365.86411	1.1
397.24442	2.0
635.38562	9.0
675.40997	1.8
908.63721	12.0
909.47125	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.6518
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07046	1.0
71.08637	38.0
71.56616	0.7
71.57042	1.7
73.02901	3.2
73.06566	7.2
74.33790	0.9
75.72356	0.7
77.03848	0.9
81.07047	1.6
85.10191	29.3
87.04473	23.3
88.39742	0.9
89.06038	100.0
91.05440	0.8
91.07596	1.1
93.07037	1.5
95.08599	1.1
99.11773	4.4
103.07587	7.9
107.07069	2.3
113.05981	1.9
113.13270	1.3
113.78037	0.7
117.09134	6.7
118.82552	0.7
121.06488	2.7
130.08632	3.2
131.07066	9.0
133.08617	82.0
155.17958	3.0
161.11713	2.4
175.09685	7.8
177.11234	34.2
201.21783	0.8
213.22157	3.0
219.12224	1.2
221.13835	7.3
223.15425	1.1
239.14780	1.1
257.24817	5.3
265.16547	2.1
272.19955	1.3
273.20590	1.0
283.17487	2.4
308.90628	0.7
309.19034	2.4
327.20145	1.5
397.24481	1.0
520.01465	0.9
537.01660	0.9
679.41217	4.3
762.38782	1.1
875.70337	0.9
908.62427	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	909.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
64.79747	0.2
67.05502	2.5
69.03429	3.2
69.07061	0.8
69.59052	1.3
71.01358	0.6
71.04986	0.6
73.02918	3.6
79.05502	1.4
81.03426	1.7
81.07053	4.1
83.04955	0.4
83.08629	0.3
83.37074	0.2
85.02911	5.0
87.04472	0.6
91.03956	2.9
91.05471	1.6
92.91437	0.2
93.07047	1.9
95.05020	0.3
95.08617	1.9
97.02899	6.3
97.06541	0.3
99.04482	0.8
103.04002	0.2
105.07045	1.5
107.08609	1.3
109.02901	0.8
109.06583	0.2
109.10161	0.5
115.03948	0.4
117.07017	0.3
119.08588	1.3
120.67938	0.2
121.06516	0.6
121.09383	0.2
121.10138	1.1
122.06828	0.3
123.11726	1.3
127.03917	1.5
131.08566	0.5
133.10176	0.4
135.11681	0.3
142.16388	0.2
145.04985	0.4
145.10139	0.3
147.11697	2.3
157.54144	0.2
159.11693	0.2
159.91206	0.2
161.13258	0.2
165.12776	0.9
173.64880	0.2
185.04167	1.1
203.05328	1.0
243.08415	1.5
251.11572	0.8
251.12506	0.7
267.15918	0.3
269.12372	1.5
272.20157	0.3
274.12949	0.3
285.16898	0.3
287.13449	0.5
301.20026	1.0
307.15109	0.5
316.92578	0.2
325.15085	0.5
335.26074	0.6
347.09421	3.1
347.12985	0.2
363.09064	0.3
365.10510	1.4
367.16351	0.4
405.13651	3.4
425.21735	0.7
469.20419	12.0
519.29315	4.2
537.30206	0.2
551.08075	0.2
585.37463	0.3
587.27051	0.4
631.25354	8.5
681.34637	3.5
747.42450	1.9
909.48120	100.0
910.48645	2.6
923.12531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5728
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.7
67.05173	0.2
67.05507	2.7
69.03429	1.1
69.07071	0.9
69.19492	1.1
69.19895	0.3
71.01351	0.2
71.05006	0.2
72.28105	0.1
73.02914	1.3
77.03925	1.2
78.04677	0.2
79.05065	0.2
79.05497	2.1
81.03435	0.6
81.07063	3.0
83.04988	0.3
83.08603	0.3
85.02917	1.3
91.03972	0.9
91.05486	12.4
93.07050	16.2
95.04358	0.2
95.04971	4.4
95.08613	2.1
97.02896	1.3
97.06503	0.2
101.02361	0.4
102.04688	0.2
103.05475	11.6
105.04524	1.8
105.07034	0.5
106.06548	0.9
107.07339	0.2
107.08612	1.0
109.02867	0.1
109.10143	0.9
117.04986	0.1
117.05772	0.6
117.07013	0.4
118.06554	3.9
119.08575	0.5
121.06511	62.8
121.10080	0.9
122.06822	0.2
123.11753	0.3
127.03899	0.3
130.06534	0.9
131.07306	1.8
131.08435	0.3
131.86203	0.2
132.08089	2.5
133.08878	0.4
133.10115	0.4
134.09669	0.7
135.11687	0.4
144.08125	0.5
145.08904	0.3
145.10081	0.3
146.09663	2.2
147.11749	0.2
148.11151	0.3
149.13263	0.2
158.09711	0.4
160.11223	2.7
162.12761	0.3
172.11282	0.4
174.12802	0.4
180.64987	0.1
184.07304	0.1
186.12799	0.2
188.14383	0.3
202.15913	0.2
244.20613	3.3
272.20102	42.2
273.20547	0.5
290.21152	11.6
291.21390	0.3
328.22873	0.3
335.25824	2.8
346.23792	5.4
364.24829	10.3
410.26917	7.6
425.59662	0.1
535.43958	0.1
606.45074	1.1
619.24591	0.1
624.46210	5.4
624.56488	0.3
628.34772	1.3
744.52124	0.6
906.57306	100.0
907.57532	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.2
69.07043	0.2
70.06601	0.2
70.84917	0.2
73.61150	0.2
81.03429	0.4
85.02900	0.6
97.02858	0.2
98.20792	0.4
98.97633	0.3
105.07013	0.3
107.08609	0.2
109.02871	0.3
119.04951	0.2
127.00037	0.3
127.03903	0.3
131.04906	0.3
133.19533	0.2
137.05959	0.6
145.05008	0.2
147.04361	0.2
151.03775	0.2
167.03180	0.4
170.73413	0.2
176.04518	0.4
177.05423	0.3
185.04262	0.4
201.05302	0.9
207.06583	0.4
207.46194	0.2
216.07571	8.4
217.06229	0.4
217.08365	7.2
227.05270	1.5
238.06868	1.1
253.09387	0.2
255.06700	0.2
256.07941	0.8
262.06979	0.4
264.86160	0.2
265.05746	0.4
271.04376	1.3
273.37576	0.2
276.08347	0.3
277.09167	0.6
280.07889	0.8
281.08734	0.3
289.09082	0.5
291.10806	0.3
294.09338	0.2
295.10196	2.0
302.93353	0.2
307.10345	0.3
316.07877	0.3
319.10025	0.3
331.10275	0.7
337.11374	0.4
339.12079	0.4
340.08081	0.5
343.10294	0.2
349.11282	0.5
361.12384	0.3
364.10040	0.5
379.13516	4.4
397.13522	0.5
403.13437	0.8
421.14685	11.6
439.14633	1.2
465.13690	100.0
466.13943	1.4
659.83569	0.2
894.40033	0.2
906.52185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.7
67.05505	43.9
69.03440	2.6
69.07065	15.9
69.45779	3.0
69.46185	1.2
71.04980	2.8
72.34436	0.5
73.02911	3.1
77.03921	0.7
79.05495	28.1
81.03410	0.9
81.07057	87.5
83.04970	5.9
83.08623	9.9
83.09109	0.8
85.02904	11.0
85.06553	4.1
91.03954	7.8
91.05479	28.6
93.07043	30.0
95.04984	2.8
95.08610	35.7
97.02895	5.3
97.06534	6.9
97.10184	2.0
99.04475	0.6
99.08089	3.4
101.06042	0.8
105.04535	0.7
105.07031	31.9
107.07865	1.3
107.08594	23.0
109.02895	0.9
109.06514	4.6
109.10155	13.6
111.08119	1.4
113.05988	1.0
113.09644	0.6
114.88985	0.5
115.03871	0.5
117.07007	3.6
119.08584	27.4
121.06463	0.5
121.10145	27.9
123.08087	4.0
123.11710	28.4
125.09627	0.5
127.03895	2.6
127.07558	2.1
127.29033	0.6
129.07030	1.7
131.08569	7.7
133.10141	7.9
135.11694	8.7
137.09634	1.7
137.13255	3.8
141.09103	0.9
145.04929	3.1
145.10120	4.6
145.70996	0.5
147.11688	60.7
149.09537	0.8
149.13268	6.5
157.10170	2.5
159.11699	2.9
161.13301	3.2
163.06036	3.5
163.14793	2.7
165.12753	21.9
171.11676	0.6
173.13255	3.8
175.11226	2.6
175.14810	1.4
177.16367	1.5
183.13805	3.1
187.14859	1.6
193.12283	1.8
196.34499	0.5
199.14771	0.5
211.13251	1.1
229.14384	5.2
233.22702	0.9
243.21091	6.9
243.23361	0.7
261.22153	22.8
267.15918	67.5
278.31113	0.5
279.23196	3.9
285.16968	100.0
286.17282	1.1
291.22879	0.6
317.24887	3.1
335.25800	82.4
353.26917	4.4
353.95865	0.6
401.69476	0.6
435.32715	0.7
453.33575	0.8
471.34631	2.3
517.39111	0.8
527.37402	9.0
545.38379	78.7
546.38831	2.1
563.39502	7.3
809.73621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.1
70.06560	0.1
85.02917	0.1
91.05486	0.5
95.04950	0.1
98.21532	0.2
107.04955	1.0
108.05746	0.4
115.05460	3.7
115.97394	0.1
119.04950	0.4
121.02884	0.2
121.06544	0.1
123.04453	0.1
124.05225	0.2
129.06987	0.1
131.04953	0.2
135.04430	0.5
135.06754	0.2
136.05199	1.1
137.05988	2.7
139.07611	0.3
143.04935	18.2
144.05777	0.2
145.74005	0.1
147.08061	0.2
147.52478	0.1
150.06763	0.4
151.07555	23.9
158.07304	0.2
160.05229	1.5
160.07648	0.2
161.05887	0.2
162.38576	0.1
163.06300	6.6
165.09129	0.9
174.06779	0.4
175.07567	13.8
178.08644	100.0
179.09000	0.6
188.08199	0.1
189.09120	1.3
192.10138	0.2
207.08058	0.2
221.09636	0.3
222.10504	0.6
223.07585	0.3
234.06738	0.2
235.07567	0.2
237.09123	0.1
238.09901	0.4
239.10854	0.2
248.08377	0.2
249.09125	0.6
250.09885	0.7
251.07236	0.1
253.12283	1.4
266.09476	0.3
267.10284	0.6
281.11713	1.8
282.12503	1.1
283.09634	0.4
295.05966	0.5
298.11957	0.6
307.05954	0.2
313.14349	5.4
321.07666	0.2
323.05563	0.7
325.06924	0.2
330.17010	70.2
331.17383	0.8
337.06754	0.2
349.06949	0.2
353.06552	0.5
363.08890	0.1
377.06583	0.2
391.08148	0.2
407.07272	0.2
439.10178	0.2
457.11200	0.5
466.04181	0.1
481.11182	0.7
511.12241	0.5
516.34552	0.1
541.13312	0.4
559.14655	1.1
577.15149	0.4
616.45258	0.1
767.42334	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	902.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80008	0.2
65.03953	0.3
68.99791	1.3
69.03435	12.0
69.03814	0.6
69.51101	0.6
69.51509	1.5
71.01363	0.4
71.05000	1.9
73.02918	3.6
74.53913	0.3
79.05511	0.5
80.05042	0.6
81.03422	13.6
83.04991	0.3
84.04498	0.4
85.02911	39.3
87.00837	14.9
87.01258	0.3
88.46227	0.2
91.03964	1.0
91.05466	0.8
97.02900	15.6
98.06057	0.8
99.04462	7.4
103.05477	3.0
105.01877	15.5
105.07039	1.2
107.04961	3.5
108.03785	0.5
108.04476	4.6
109.02889	15.8
115.03966	0.7
115.05503	0.4
117.01852	2.0
117.07008	0.4
119.95858	0.3
120.05742	0.4
121.06489	0.4
123.00900	0.3
126.05528	2.6
127.03928	27.9
129.01854	2.2
130.28485	0.3
131.04945	1.1
133.06485	0.5
133.67390	0.3
135.08051	3.5
137.05971	0.4
139.03914	1.8
144.06615	0.5
145.04968	13.6
147.02892	1.1
154.06255	17.8
157.91963	0.3
159.02901	9.5
163.07559	18.0
167.07018	1.0
171.02844	0.4
173.06000	0.4
177.04050	0.4
180.07838	0.8
189.03973	0.8
193.08568	0.4
195.10182	100.0
196.10539	0.6
207.10187	0.7
212.05623	0.5
212.12785	0.5
213.04008	2.1
219.10207	0.7
221.08101	0.4
230.06610	1.5
231.02708	0.5
231.05008	10.4
248.05310	0.5
248.07686	6.0
249.06035	3.1
261.11172	0.4
266.08731	5.3
285.11243	1.3
303.12329	2.8
310.12451	0.3
389.12048	0.5
407.13522	1.0
460.18149	6.5
575.05597	0.3
730.68329	0.3
761.32214	0.5
780.69757	0.3
834.15918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.5
67.05507	48.0
69.03436	2.0
69.07071	16.3
69.26437	1.8
69.26856	1.4
71.04991	3.3
71.08643	0.5
73.02917	2.9
73.06560	0.6
77.03941	0.7
79.05495	30.1
81.03421	2.2
81.07058	86.3
83.04981	6.0
83.08617	8.4
85.02904	9.7
85.06546	4.0
87.04481	0.4
87.73164	0.3
91.03961	6.0
91.05481	25.1
93.07047	34.2
95.04981	3.4
95.08607	37.6
97.02895	5.3
97.06533	6.0
97.10155	2.0
99.04449	0.6
99.08096	3.3
101.06042	0.9
103.05498	0.8
105.04501	0.6
105.07030	31.1
107.04970	0.8
107.08597	21.5
109.02871	0.8
109.06524	4.0
109.10159	12.5
111.08125	1.5
113.06033	1.0
115.03909	0.8
115.05488	0.3
115.07594	0.4
117.07027	4.7
119.08585	26.8
121.06509	0.8
121.10145	26.5
123.08077	3.1
123.11713	24.0
125.09650	0.8
127.03945	1.5
127.07551	2.3
129.07016	1.4
131.08566	6.4
133.10144	7.2
135.08098	0.3
135.11691	8.4
137.09644	0.8
137.13235	3.1
139.11224	0.7
141.09106	0.5
144.06656	0.4
145.04941	2.2
145.10109	4.7
147.11688	49.0
149.09613	1.0
149.13275	5.1
151.11145	0.4
155.08580	0.4
157.10152	2.2
159.11694	2.6
161.13292	2.7
163.06032	3.0
163.11201	0.5
163.14812	2.2
165.12762	17.2
171.11729	0.4
173.13289	3.0
175.11237	1.8
175.14844	0.9
177.12727	0.3
177.16283	0.8
183.13835	2.0
187.14806	1.4
191.14352	0.4
193.12239	1.5
201.16379	0.5
229.14337	3.7
234.15694	0.3
243.21104	4.9
261.22156	16.1
267.15921	55.8
268.16098	0.4
279.23209	2.6
285.16965	60.1
317.24792	2.7
335.25800	100.0
336.25967	0.8
353.26874	1.9
453.33817	0.7
461.21356	0.6
463.22501	0.9
471.34695	1.6
484.41510	0.5
527.37335	6.5
545.38379	75.9
546.38733	1.8
563.39587	4.6
678.49359	0.4
904.59338	0.5
905.46057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.0
67.05487	5.4
69.03445	8.2
69.07056	4.4
69.38765	12.2
69.98898	1.3
70.06589	2.1
71.05001	1.7
79.05483	2.6
81.03423	7.7
81.07024	1.8
85.02892	5.2
85.59251	1.8
87.04510	1.9
89.06020	1.5
91.05473	6.5
93.07043	4.7
94.06554	7.7
95.04958	3.6
95.08597	2.8
97.02887	4.8
98.21626	1.6
99.04442	2.2
99.61692	1.7
105.07066	1.5
108.08117	10.8
109.02876	6.3
109.06522	1.5
111.08105	2.2
119.04944	1.5
119.08555	2.5
120.04471	1.7
120.08088	4.1
122.06030	22.3
124.07591	1.7
127.03909	9.2
132.08093	1.8
132.83012	1.6
134.06012	6.5
134.09654	3.3
135.08054	2.4
136.07571	11.1
137.05997	1.7
138.88649	1.6
139.77661	1.4
140.07063	3.1
144.08034	2.6
145.04932	1.7
146.06000	5.2
146.09448	1.6
148.07576	8.9
150.09145	2.8
152.07068	2.6
154.04944	2.4
160.07564	2.0
162.09138	22.1
164.07045	3.6
166.08640	6.0
172.03757	1.7
172.07639	1.8
174.05527	5.1
174.09172	1.9
180.10207	20.0
182.09822	1.7
190.05019	2.4
190.08690	3.4
199.08633	3.6
200.07259	1.8
201.10222	6.3
204.06795	1.7
206.08240	2.6
208.09712	27.9
211.08669	2.8
211.12337	1.8
213.10182	6.6
214.08664	2.0
215.08194	4.1
215.11827	1.9
222.11360	2.9
223.08665	5.8
223.12296	5.7
224.10997	2.1
224.12938	3.9
225.10266	24.7
225.13815	5.6
226.10986	3.9
226.14023	1.4
227.08151	7.1
227.11743	7.7
229.09700	8.3
232.09793	2.7
235.08646	6.6
235.12279	4.6
236.09459	6.5
237.10260	18.9
237.13885	6.7
238.10934	11.8
239.11752	22.6
240.12537	7.1
241.09608	4.3
241.13368	6.3
243.11423	7.9
248.09300	4.4
249.10162	17.2
250.11005	21.7
251.08247	7.8
251.11801	65.8
252.12599	8.0
253.09750	7.1
253.13365	21.5
254.14226	4.1
255.11377	3.7
257.09357	2.2
259.10809	4.7
261.10068	3.0
261.12531	2.0
262.10977	3.0
263.08026	2.7
263.11801	46.7
264.09158	3.3
264.12576	9.7
265.09766	16.5
265.13339	69.0
266.10703	7.4
266.14059	8.2
267.11298	11.2
267.14600	8.5
268.12048	3.8
269.09213	4.3
269.12796	6.3
271.10706	7.2
275.11938	3.7
276.12607	3.5
277.09778	8.0
277.13388	4.7
278.10309	9.6
279.11304	40.8
280.12112	8.7
281.09924	2.5
281.12796	12.1
283.10757	12.1
283.14166	3.3
284.11533	2.5
285.12448	5.0
287.10263	3.2
287.13992	1.8
289.12204	2.1
291.11316	14.4
291.14587	2.5
292.12021	6.2
293.09647	2.0
293.12827	39.5
294.13574	5.3
295.10764	7.5
295.14432	14.7
296.11606	5.6
297.12357	12.4
298.13159	7.1
299.10648	2.3
299.13867	9.1
301.11804	1.8
303.14059	2.1
305.09366	3.2
305.12643	3.0
307.10745	4.0
307.14111	1.8
309.12366	21.1
310.12946	6.0
311.10632	2.1
311.13889	45.6
312.14453	2.0
313.12018	3.6
313.15213	7.8
319.10687	6.8
320.11539	1.9
321.12228	19.2
323.13855	4.9
325.11862	2.5
325.15430	3.9
331.13168	2.7
333.12332	2.0
337.11737	7.2
337.15436	2.4
338.12640	6.0
339.13431	16.2
341.14905	4.2
344.13705	3.0
349.11771	2.1
351.13406	6.2
352.14145	2.3
353.15042	20.2
355.16544	4.6
356.13937	3.0
358.15305	2.5
369.14505	12.8
370.15472	3.7
371.16092	21.9
372.17172	3.6
375.13364	2.0
381.14389	3.7
382.15140	2.0
386.18600	4.6
387.15521	3.0
390.14447	1.9
394.15451	2.3
395.16199	3.0
399.15591	2.4
400.16608	5.1
407.16006	2.9
409.13538	2.7
411.15555	3.8
413.17303	8.3
414.17914	5.9
415.14767	4.7
416.19800	4.7
419.16132	3.7
423.15497	2.3
425.17026	1.9
427.14621	2.5
429.16693	3.3
432.19174	4.3
435.15463	6.4
437.16943	10.3
441.16522	2.5
442.17392	5.9
445.15723	8.2
447.16806	5.5
453.16925	8.9
454.17722	3.3
455.18088	18.1
456.19031	2.3
460.19055	3.7
463.15692	6.7
464.16183	2.5
465.16708	13.7
467.18243	2.3
471.17636	3.7
473.19214	5.3
474.20544	7.4
479.18027	2.9
480.21271	4.5
481.16000	12.0
482.16666	6.7
483.17798	20.5
484.20792	3.1
492.21188	8.0
494.22711	3.5
495.17551	6.5
497.19336	12.0
499.17117	3.3
501.18692	2.9
513.18610	22.9
514.18964	2.2
515.20343	43.3
516.20532	3.0
534.22394	13.6
536.20471	1.8
540.21545	7.7
542.22699	2.8
550.22150	2.3
558.22083	6.5
568.22443	22.8
570.21698	2.9
576.23230	5.8
586.23224	42.9
587.23029	3.2
588.23157	5.2
600.23505	58.8
601.24567	6.3
603.21558	3.8
604.22931	17.2
605.23334	6.2
606.24237	8.6
615.27991	3.7
618.24475	67.4
619.25549	7.7
620.25726	6.2
622.24371	3.3
624.25067	3.0
635.24219	6.1
636.25494	100.0
637.25958	20.6
638.26575	2.7
650.22784	4.9
654.26117	5.8
655.26721	2.8
656.27179	2.4
660.27319	3.2
668.23932	4.8
675.29932	5.2
681.28479	1.9
690.26306	2.8
691.28467	6.6
692.19501	1.9
692.30261	25.2
708.27582	4.4
709.28857	17.0
710.27789	2.2
723.30255	21.0
726.28729	83.3
727.29144	10.6
741.31268	37.3
742.31500	2.1
745.30078	5.4
757.30530	1.9
758.31372	40.3
759.32629	14.4
773.29633	2.5
775.31018	4.6
777.33594	12.0
793.32965	10.4
809.34851	2.2
867.35345	2.4
899.38971	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	899.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.0
67.05487	5.4
69.03445	8.2
69.07056	4.4
69.38765	12.2
69.98898	1.3
70.06589	2.1
71.05001	1.7
79.05483	2.6
81.03423	7.7
81.07024	1.8
85.02892	5.2
85.59251	1.8
87.04510	1.9
89.06020	1.5
91.05473	6.5
93.07043	4.7
94.06554	7.7
95.04958	3.6
95.08597	2.8
97.02887	4.8
98.21626	1.6
99.04442	2.2
99.61692	1.7
105.07066	1.5
108.08117	10.8
109.02876	6.3
109.06522	1.5
111.08105	2.2
119.04944	1.5
119.08555	2.5
120.04471	1.7
120.08088	4.1
122.06030	22.3
124.07591	1.7
127.03909	9.2
132.08093	1.8
132.83012	1.6
134.06012	6.5
134.09654	3.3
135.08054	2.4
136.07571	11.1
137.05997	1.7
138.88649	1.6
139.77661	1.4
140.07063	3.1
144.08034	2.6
145.04932	1.7
146.06000	5.2
146.09448	1.6
148.07576	8.9
150.09145	2.8
152.07068	2.6
154.04944	2.4
160.07564	2.0
162.09138	22.1
164.07045	3.6
166.08640	6.0
172.03757	1.7
172.07639	1.8
174.05527	5.1
174.09172	1.9
180.10207	20.0
182.09822	1.7
190.05019	2.4
190.08690	3.4
199.08633	3.6
200.07259	1.8
201.10222	6.3
204.06795	1.7
206.08240	2.6
208.09712	27.9
211.08669	2.8
211.12337	1.8
213.10182	6.6
214.08664	2.0
215.08194	4.1
215.11827	1.9
222.11360	2.9
223.08665	5.8
223.12296	5.7
224.10997	2.1
224.12938	3.9
225.10266	24.7
225.13815	5.6
226.10986	3.9
226.14023	1.4
227.08151	7.1
227.11743	7.7
229.09700	8.3
232.09793	2.7
235.08646	6.6
235.12279	4.6
236.09459	6.5
237.10260	18.9
237.13885	6.7
238.10934	11.8
239.11752	22.6
240.12537	7.1
241.09608	4.3
241.13368	6.3
243.11423	7.9
248.09300	4.4
249.10162	17.2
250.11005	21.7
251.08247	7.8
251.11801	65.8
252.12599	8.0
253.09750	7.1
253.13365	21.5
254.14226	4.1
255.11377	3.7
257.09357	2.2
259.10809	4.7
261.10068	3.0
261.12531	2.0
262.10977	3.0
263.08026	2.7
263.11801	46.7
264.09158	3.3
264.12576	9.7
265.09766	16.5
265.13339	69.0
266.10703	7.4
266.14059	8.2
267.11298	11.2
267.14600	8.5
268.12048	3.8
269.09213	4.3
269.12796	6.3
271.10706	7.2
275.11938	3.7
276.12607	3.5
277.09778	8.0
277.13388	4.7
278.10309	9.6
279.11304	40.8
280.12112	8.7
281.09924	2.5
281.12796	12.1
283.10757	12.1
283.14166	3.3
284.11533	2.5
285.12448	5.0
287.10263	3.2
287.13992	1.8
289.12204	2.1
291.11316	14.4
291.14587	2.5
292.12021	6.2
293.09647	2.0
293.12827	39.5
294.13574	5.3
295.10764	7.5
295.14432	14.7
296.11606	5.6
297.12357	12.4
298.13159	7.1
299.10648	2.3
299.13867	9.1
301.11804	1.8
303.14059	2.1
305.09366	3.2
305.12643	3.0
307.10745	4.0
307.14111	1.8
309.12366	21.1
310.12946	6.0
311.10632	2.1
311.13889	45.6
312.14453	2.0
313.12018	3.6
313.15213	7.8
319.10687	6.8
320.11539	1.9
321.12228	19.2
323.13855	4.9
325.11862	2.5
325.15430	3.9
331.13168	2.7
333.12332	2.0
337.11737	7.2
337.15436	2.4
338.12640	6.0
339.13431	16.2
341.14905	4.2
344.13705	3.0
349.11771	2.1
351.13406	6.2
352.14145	2.3
353.15042	20.2
355.16544	4.6
356.13937	3.0
358.15305	2.5
369.14505	12.8
370.15472	3.7
371.16092	21.9
372.17172	3.6
375.13364	2.0
381.14389	3.7
382.15140	2.0
386.18600	4.6
387.15521	3.0
390.14447	1.9
394.15451	2.3
395.16199	3.0
399.15591	2.4
400.16608	5.1
407.16006	2.9
409.13538	2.7
411.15555	3.8
413.17303	8.3
414.17914	5.9
415.14767	4.7
416.19800	4.7
419.16132	3.7
423.15497	2.3
425.17026	1.9
427.14621	2.5
429.16693	3.3
432.19174	4.3
435.15463	6.4
437.16943	10.3
441.16522	2.5
442.17392	5.9
445.15723	8.2
447.16806	5.5
453.16925	8.9
454.17722	3.3
455.18088	18.1
456.19031	2.3
460.19055	3.7
463.15692	6.7
464.16183	2.5
465.16708	13.7
467.18243	2.3
471.17636	3.7
473.19214	5.3
474.20544	7.4
479.18027	2.9
480.21271	4.5
481.16000	12.0
482.16666	6.7
483.17798	20.5
484.20792	3.1
492.21188	8.0
494.22711	3.5
495.17551	6.5
497.19336	12.0
499.17117	3.3
501.18692	2.9
513.18610	22.9
514.18964	2.2
515.20343	43.3
516.20532	3.0
534.22394	13.6
536.20471	1.8
540.21545	7.7
542.22699	2.8
550.22150	2.3
558.22083	6.5
568.22443	22.8
570.21698	2.9
576.23230	5.8
586.23224	42.9
587.23029	3.2
588.23157	5.2
600.23505	58.8
601.24567	6.3
603.21558	3.8
604.22931	17.2
605.23334	6.2
606.24237	8.6
615.27991	3.7
618.24475	67.4
619.25549	7.7
620.25726	6.2
622.24371	3.3
624.25067	3.0
635.24219	6.1
636.25494	100.0
637.25958	20.6
638.26575	2.7
650.22784	4.9
654.26117	5.8
655.26721	2.8
656.27179	2.4
660.27319	3.2
668.23932	4.8
675.29932	5.2
681.28479	1.9
690.26306	2.8
691.28467	6.6
692.19501	1.9
692.30261	25.2
708.27582	4.4
709.28857	17.0
710.27789	2.2
723.30255	21.0
726.28729	83.3
727.29144	10.6
741.31268	37.3
742.31500	2.1
745.30078	5.4
757.30530	1.9
758.31372	40.3
759.32629	14.4
773.29633	2.5
775.31018	4.6
777.33594	12.0
793.32965	10.4
809.34851	2.2
867.35345	2.4
899.38971	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	896.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.6
67.05167	0.6
67.05506	8.0
69.03407	1.5
69.06722	0.7
69.07070	8.8
70.06583	1.1
71.01355	2.6
71.04980	0.5
71.08607	0.5
73.02892	1.0
75.29661	0.4
79.05489	5.0
79.09915	0.4
81.07063	16.6
83.08193	0.5
83.08621	4.9
85.02914	3.1
88.46671	0.4
91.05486	23.1
93.06489	0.6
93.07053	11.6
95.01299	0.9
95.04951	1.0
95.08613	29.0
95.49221	0.4
97.02898	3.1
97.10165	2.8
98.62269	0.4
99.04422	0.5
103.05470	1.0
105.07042	13.8
105.07755	0.6
107.04942	1.3
107.07863	0.9
107.08602	21.9
109.06517	1.7
109.10162	23.9
111.08134	0.7
111.11731	1.4
113.02351	1.6
115.03905	0.5
115.05463	1.3
117.07032	2.6
119.04952	10.7
119.08590	20.0
121.06590	0.5
121.10149	21.8
123.04424	1.7
123.11723	11.2
124.05222	6.3
125.56389	0.4
127.03915	1.3
131.08542	2.8
133.08620	0.6
133.10138	15.1
135.04396	1.5
135.08032	0.9
135.11700	15.3
136.05244	0.5
137.05983	100.0
137.13266	4.1
138.06323	1.0
141.01825	2.2
143.08614	0.8
144.09218	0.4
145.06483	3.7
145.10133	5.7
147.04413	1.6
147.11693	13.7
149.05994	1.1
149.13268	8.4
151.03917	0.4
151.11160	0.5
151.14870	0.9
153.07867	2.3
154.08640	18.3
157.10152	1.7
159.02864	0.6
159.11702	7.6
160.12396	0.5
161.06018	3.5
161.13261	13.4
162.06776	1.2
163.03967	0.6
163.07553	4.0
163.14830	7.3
164.07051	1.2
171.11729	1.6
172.12428	0.5
173.06004	0.9
173.13263	4.8
174.14130	0.4
175.14830	9.4
177.16396	9.1
179.17952	0.5
185.13293	0.9
187.07584	1.8
187.14830	6.0
189.05525	1.9
189.16393	17.8
191.07039	32.2
191.17958	27.9
199.14844	1.2
201.16405	7.0
203.17964	12.2
205.08640	2.1
205.19547	3.5
207.17467	2.2
208.09663	1.5
213.16455	1.2
215.07019	2.5
215.17984	4.7
217.19536	14.9
218.08197	0.8
219.06726	0.9
219.21117	1.2
221.19046	0.6
227.17967	1.7
229.19522	4.6
231.21082	3.1
233.08080	4.9
235.06059	0.5
241.19548	1.4
243.06525	0.6
243.21075	2.0
245.22722	0.9
250.10785	0.8
252.08730	0.5
255.21173	1.8
257.22702	1.9
260.09219	0.9
261.07593	20.6
269.22623	2.0
271.24271	2.4
278.10248	36.2
279.08688	0.9
283.24261	1.4
296.11322	14.9
297.25778	2.5
365.32489	0.6
383.20874	0.5
407.36746	24.9
408.37286	0.7
425.37796	4.7
498.28833	1.3
512.30042	4.1
601.40765	2.6
684.45917	0.7
702.47290	28.5
703.47339	0.7
720.48346	17.8
896.51691	26.5
897.51575	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.3
65.28037	0.4
67.05508	5.5
69.03415	1.8
69.07065	4.8
69.31585	2.2
69.32014	0.9
70.06573	1.1
71.01356	3.0
71.76665	0.3
72.65781	0.4
73.02895	1.1
74.93250	0.3
77.03933	0.4
79.05138	0.4
79.05497	4.6
81.07059	13.0
83.01292	0.4
83.08632	3.9
85.02914	2.7
85.06557	0.4
91.05483	28.6
91.43836	0.4
93.06478	0.6
93.07048	9.9
95.01323	1.4
95.04970	1.0
95.08609	23.6
97.02905	4.3
97.10182	2.0
103.05450	0.6
105.07037	10.3
105.07739	0.3
107.04935	1.7
107.08601	17.0
109.02877	0.6
109.06516	2.0
109.10160	18.4
111.08067	0.6
111.11695	1.3
113.02362	1.2
115.03925	1.1
117.07024	1.3
119.04958	12.5
119.08585	14.9
121.06511	0.5
121.10149	15.2
123.04406	0.7
123.08107	0.6
123.11713	7.9
123.12590	0.8
124.05235	2.3
125.02399	0.6
127.03915	0.5
129.06985	0.5
131.04903	0.4
131.08569	2.9
133.10133	12.7
135.04424	2.3
135.08089	0.5
135.11699	9.5
136.05238	0.5
137.05981	100.0
137.13257	4.4
141.01836	2.6
143.08553	0.7
145.06482	1.3
145.10112	4.4
147.04416	2.2
147.06516	0.4
147.08040	1.1
147.11699	9.7
148.94218	0.4
149.05978	0.9
149.13257	6.9
153.07886	0.5
154.08635	8.5
156.09337	0.5
157.10092	1.0
159.02856	0.4
159.08034	0.6
159.11694	5.6
161.05986	3.8
161.13254	9.5
162.06798	2.3
163.03938	1.4
163.07535	3.3
163.14832	4.5
164.07153	0.5
167.07077	1.0
171.11705	1.1
173.05960	0.6
173.13266	4.3
175.14824	7.7
177.09030	0.6
177.16386	7.9
179.17978	0.5
185.13303	1.2
187.07536	1.6
187.14825	3.8
189.05502	1.6
189.16383	11.1
191.07030	12.1
191.17944	18.6
197.05963	0.5
197.13318	0.6
199.14851	1.0
201.16406	5.4
203.17961	8.3
205.08591	3.7
205.19527	2.7
207.17470	1.4
208.09753	0.7
213.16368	0.8
215.07021	2.9
215.17946	3.5
217.19514	8.5
219.06493	0.6
219.21153	0.7
227.18065	1.7
229.19513	4.9
231.21097	2.8
233.08104	7.3
241.19611	1.1
241.86958	0.5
243.21136	1.6
245.22731	1.1
250.10776	2.9
255.21069	1.2
257.22745	1.7
259.24411	0.5
261.07587	25.1
269.22736	1.8
271.24271	1.5
278.10239	32.9
279.08633	2.2
283.24265	0.8
291.73914	0.3
296.08026	0.4
296.11313	8.6
297.25790	1.9
315.26843	0.4
351.30338	0.4
407.36731	22.5
425.37665	3.0
442.10458	0.4
483.09647	0.4
498.28821	0.7
512.30060	3.8
584.90265	0.4
601.40790	1.7
684.46167	1.8
702.47308	18.9
703.47656	0.7
720.48370	13.8
720.61017	0.8
721.49036	0.5
730.86908	0.5
896.51721	23.4
897.51624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.6359
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	2.4
69.03423	1.5
69.07053	2.3
71.08634	37.6
73.02898	2.6
73.06561	5.6
78.92054	0.8
81.07034	2.9
83.08595	2.0
85.10185	35.5
87.03930	1.0
87.04470	23.6
89.06035	100.0
91.05475	1.7
93.07033	2.0
95.04962	0.9
95.08597	2.7
97.10165	1.0
99.11702	2.9
101.06113	0.8
103.07597	7.4
105.07008	1.4
107.07080	1.2
107.08568	1.0
112.99985	1.2
113.05997	1.0
115.07576	0.8
117.09144	8.4
118.41035	0.8
121.10199	0.8
130.08623	3.3
131.07063	8.2
133.08609	75.7
135.10149	1.3
137.05980	1.0
141.16374	2.9
159.10190	0.8
161.11734	2.4
169.02637	1.0
175.09662	6.4
175.25742	0.8
177.11230	29.0
186.41243	0.8
199.20558	4.6
219.12244	3.1
221.13821	7.5
229.47044	1.0
243.23161	4.1
265.16513	2.4
274.18216	0.8
283.17523	2.4
309.18930	1.9
327.20279	1.1
335.25836	2.7
336.26291	2.8
441.26718	1.1
620.54700	1.0
624.90216	0.9
679.40686	4.3
719.44537	0.9
724.39282	1.2
732.49707	1.2
876.61823	2.1
877.59155	1.3
894.64246	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	896.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.1
67.05179	0.4
67.05505	5.5
68.99806	0.3
69.03418	2.2
69.06721	0.4
69.07066	5.9
70.06571	0.3
70.13239	1.1
71.01349	2.2
73.02934	0.5
77.03915	0.3
79.05490	4.2
81.07056	12.2
83.01330	0.5
83.04964	0.3
83.08202	0.3
83.08617	3.7
83.09066	0.5
85.02909	3.0
86.14128	0.3
87.04433	0.3
89.06042	1.3
91.05479	27.9
93.07043	8.2
95.01310	1.1
95.04964	0.5
95.08605	22.0
97.02272	0.4
97.02885	4.1
97.10163	2.3
99.04449	0.4
99.76563	0.2
103.05464	0.5
105.07028	9.6
107.04919	1.5
107.08594	14.5
109.02834	0.3
109.06530	1.3
109.10154	17.3
111.08060	0.4
111.11690	0.9
113.02369	0.7
115.03944	0.6
115.05447	0.4
117.07014	1.9
119.04939	12.9
119.08579	13.6
120.05737	0.4
121.06524	0.4
121.10139	13.6
123.04401	0.6
123.08098	0.3
123.11711	7.8
124.05197	2.4
125.09627	0.4
125.89956	0.3
127.03917	0.7
128.06180	0.5
131.08534	1.8
133.08588	0.7
133.10124	11.5
135.04410	2.7
135.08047	0.6
135.11690	10.1
136.05176	0.8
137.05972	100.0
137.13217	3.4
138.06317	0.7
141.01825	1.9
143.08530	0.6
144.09341	0.4
145.04926	0.3
145.06491	0.8
145.10101	4.5
146.10915	0.4
147.04404	1.5
147.08105	1.4
147.11687	8.8
149.05954	0.5
149.13249	6.0
151.11217	0.3
151.14848	0.3
153.07834	0.7
154.08630	8.0
154.09819	0.6
157.10143	0.9
159.02951	0.3
159.08057	0.4
159.11674	4.8
160.12466	0.3
161.05978	3.3
161.13254	8.7
162.06743	2.3
163.03876	1.8
163.07535	2.6
163.14804	4.4
164.07065	0.8
165.06967	0.3
171.11699	1.1
173.06017	0.5
173.13251	4.0
175.14827	5.8
177.05511	0.4
177.09178	0.4
177.16383	6.3
179.17932	0.6
184.07272	0.5
185.13261	0.9
186.13974	0.4
187.07542	1.6
187.14803	5.0
189.05418	1.3
189.16379	12.0
191.07019	9.7
191.17943	18.6
193.15636	0.3
199.14870	1.2
201.16391	5.4
201.18275	0.6
203.17941	8.3
203.19702	0.5
205.08630	3.4
205.19547	2.2
207.17459	1.0
208.09740	1.0
213.16423	1.2
215.07027	2.0
215.17929	4.1
215.19832	0.3
217.19514	8.0
219.06525	0.8
219.21147	0.8
227.17899	1.6
229.19504	3.4
231.21065	2.4
233.08084	8.7
237.07594	0.3
241.19579	0.8
243.21095	2.0
245.22737	1.1
250.10742	2.7
255.21016	1.3
257.22610	1.6
261.07574	28.4
269.22641	1.7
271.24249	1.4
278.10220	34.5
279.08585	1.5
283.24225	0.9
285.25836	0.4
295.24310	0.3
296.11264	9.1
296.14471	0.5
297.25775	1.6
311.27341	0.4
337.28998	0.4
383.20779	0.4
405.35242	0.4
407.36700	22.4
425.37796	2.8
462.21289	0.3
464.08527	0.3
492.21564	0.3
498.28629	0.6
512.30096	3.6
524.29865	0.5
601.41357	1.9
684.46796	1.6
702.47241	17.4
720.48303	15.2
896.51514	22.5
897.51056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58010	0.8
67.05508	4.0
68.99790	2.3
69.03442	10.5
69.07073	29.4
70.06594	3.9
71.04981	2.9
71.08632	2.0
71.56174	0.9
73.02924	1.8
73.06542	2.4
78.43878	0.8
79.05480	1.6
81.03422	11.7
81.07071	8.2
83.04977	1.7
83.08625	83.2
85.02909	21.0
87.00840	7.3
87.04476	16.4
89.06038	100.0
91.03931	1.0
91.05465	3.0
93.07021	2.4
95.04978	1.8
95.08637	4.5
97.02907	7.8
97.06526	1.0
97.10175	26.6
99.04452	3.6
103.03919	1.1
103.07579	2.8
105.01873	4.2
105.07048	1.8
107.07066	2.5
107.08594	1.5
109.02880	11.6
109.10156	1.5
111.04417	1.9
112.07471	0.7
113.05999	0.8
117.09118	1.9
119.08548	1.2
122.09870	0.9
123.11727	1.2
127.03091	1.0
127.03929	13.4
129.01791	1.0
130.08661	1.9
131.07033	5.7
133.08614	87.0
135.10161	1.3
136.06131	1.1
137.05960	2.6
139.64395	0.8
145.04961	2.9
147.02747	0.9
157.15898	11.3
159.02864	2.9
164.06964	0.9
167.07082	1.1
173.05902	0.9
175.09665	6.6
175.16962	2.7
177.11234	42.3
184.07339	1.3
201.18459	1.0
213.03888	2.1
215.20041	4.7
219.12247	3.2
221.13834	10.8
226.11076	0.9
231.04953	1.9
238.68604	0.9
239.14848	2.2
241.13338	6.4
242.13768	2.6
259.22748	7.8
265.16360	3.8
269.12802	1.4
270.13049	1.3
283.17578	4.6
289.09048	1.1
303.25385	0.8
309.19031	5.1
325.22461	1.0
327.20023	4.5
353.21713	4.1
354.81848	0.9
371.22742	5.4
397.24329	5.0
415.25400	39.9
416.25723	1.2
455.28638	13.6
473.29434	1.9
538.12604	0.9
611.42957	1.1
629.44769	30.3
634.72083	1.0
866.38239	1.2
876.49316	2.2
894.52637	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	894.318
Annotation	Unknow
Peak:m/z	Relative Intensity
80.06229	0.1
91.05475	0.7
98.20703	0.3
105.03417	0.2
105.07051	0.2
107.04968	0.9
108.05727	0.5
115.05456	3.8
117.07025	0.1
119.04953	0.5
121.02869	0.8
123.00948	0.1
123.04432	0.1
135.04379	0.2
135.06801	0.2
136.05183	1.0
137.05992	2.3
139.07541	0.2
143.04927	18.2
144.05695	0.2
150.06752	0.2
151.07544	23.1
158.07312	0.3
160.05240	1.4
160.07492	0.2
163.06296	6.9
165.09099	0.9
174.06746	0.7
175.07555	14.0
178.08633	100.0
179.08946	0.9
180.10385	0.1
189.01828	0.2
189.09131	1.2
191.08438	0.2
195.07961	0.2
207.02887	0.2
207.08040	0.2
208.09303	0.1
219.02899	0.1
219.07994	0.2
221.09555	0.3
222.10384	0.6
226.22145	0.1
231.93756	0.1
238.09888	0.4
241.08600	0.2
249.09126	0.5
250.09877	0.8
251.48195	0.2
253.12227	1.2
266.09399	0.2
267.10120	0.8
280.06641	0.1
281.11713	1.9
282.12497	1.2
283.09668	0.3
283.65533	0.1
293.08066	0.2
294.05200	0.3
295.06070	2.1
296.06766	0.2
297.07669	0.2
298.11758	0.3
307.06015	1.4
308.06674	0.4
309.07489	0.6
312.24875	0.2
313.14325	5.1
319.05869	0.2
321.07581	1.2
322.08072	0.2
323.09131	0.2
325.07047	2.4
330.16992	66.8
331.17349	0.8
333.07513	0.5
335.09210	0.5
337.07056	1.4
347.09103	0.3
349.07098	1.7
351.08597	0.5
355.07922	0.3
361.07022	0.4
363.08569	0.4
365.10355	0.4
367.08078	0.3
373.07111	0.4
375.08594	0.3
379.08148	3.0
389.10196	0.2
391.07916	1.0
397.09384	0.7
403.08130	0.6
405.09634	0.2
409.08896	0.8
415.09750	0.2
421.09302	0.3
427.09979	0.6
433.09094	0.8
439.10181	0.2
445.11331	1.2
451.10461	0.8
457.11304	1.3
469.11307	1.3
475.10422	0.3
481.11234	0.9
493.10953	0.4
499.12463	1.5
511.12561	1.2
529.13446	2.0
547.14404	4.4
559.29175	0.1
565.07330	0.3
565.15497	3.0
810.38074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77543	1.0
65.03937	1.7
67.05508	20.8
69.03426	8.3
69.07072	9.3
69.34776	2.2
69.35184	6.2
69.94171	1.1
70.06586	3.7
70.34621	1.1
71.02090	1.0
71.04964	1.5
73.02921	5.7
79.05060	1.6
79.05495	22.7
81.03415	4.6
81.07061	20.4
83.04945	1.2
83.08613	5.0
85.02907	9.8
85.06515	1.3
85.95963	1.0
86.06065	1.2
86.09708	1.1
87.04473	1.2
91.03957	6.2
91.05482	24.8
93.07041	21.4
95.04965	3.5
95.08614	13.7
96.08144	1.1
97.02895	10.5
97.06538	2.0
97.10172	3.4
101.02375	2.0
103.05473	2.1
103.97160	1.0
105.07034	18.0
107.04961	1.4
107.08611	10.4
109.06499	1.9
109.10145	5.3
111.08130	1.2
114.95570	1.1
115.05439	1.6
117.07040	5.4
119.08575	12.7
121.06498	2.7
121.10135	7.0
123.04418	2.5
123.08008	1.4
123.11714	1.4
123.86006	0.9
127.03917	2.3
129.07001	2.5
131.04929	3.8
131.08623	6.3
133.06497	1.6
133.10141	9.2
135.11679	3.4
136.06177	9.5
137.05977	9.7
138.12860	1.0
143.04892	2.1
143.08563	1.9
144.08098	1.1
145.06499	3.6
145.10118	3.2
146.06020	1.5
146.91510	1.0
147.08040	1.1
147.11667	5.2
148.05110	1.7
149.05983	6.3
149.09654	1.4
149.13255	2.0
151.07526	1.4
157.06535	1.7
157.10126	2.4
159.11707	2.8
161.06020	5.6
161.13286	1.9
162.05525	7.3
162.06697	1.7
163.06325	1.3
164.07063	25.9
164.08383	1.7
169.06497	1.3
171.11700	2.3
173.06004	7.6
175.06277	2.9
175.07571	3.7
176.07097	6.2
177.07855	36.6
178.08614	4.7
181.10022	0.9
187.07584	3.3
188.07051	2.6
190.08615	12.4
191.09377	10.0
202.08643	2.7
203.09416	1.1
204.10252	5.1
216.10165	1.7
230.11324	1.2
248.67928	1.0
259.20593	1.9
272.16373	2.1
274.18018	32.1
275.89438	1.3
280.52594	1.1
284.16559	1.1
300.15970	11.3
302.17493	46.9
317.74597	1.0
318.16846	3.4
320.18567	35.4
332.18631	1.2
333.24152	9.1
335.25833	2.0
346.20181	2.5
358.20212	1.1
374.19519	2.0
376.21249	11.6
388.48801	1.1
392.20685	3.7
393.21426	1.7
394.22205	18.4
425.29309	1.1
526.29840	1.2
576.38550	1.1
652.42072	62.4
696.44684	30.6
702.73212	1.3
714.45026	5.5
722.33636	1.1
732.45978	2.5
814.47296	72.1
815.46790	2.0
832.48352	9.7
840.48004	1.4
858.49884	100.0
859.49371	3.2
876.50885	43.6
877.50305	1.3
894.50726	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	892.6567
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07064	2.3
69.54716	5.2
69.55133	2.6
71.08638	100.0
73.06554	3.4
83.08617	3.7
84.76067	1.1
85.10188	95.3
87.04473	17.5
89.06037	87.0
97.10162	4.6
99.11120	2.1
99.11737	18.6
101.06043	1.2
101.09636	3.5
105.06997	1.7
111.06407	1.4
111.11752	1.5
113.06007	2.5
113.13276	7.1
114.49855	1.1
117.09137	19.0
123.57671	1.1
130.08598	1.8
131.07054	6.3
133.08612	70.5
134.08942	1.4
149.06825	1.1
151.40637	1.3
155.17944	13.7
158.11716	1.7
161.11739	1.8
175.09708	6.3
177.11227	30.7
184.07320	1.5
213.22153	30.7
219.12383	2.3
221.13864	8.3
223.15331	1.5
254.24779	3.5
265.16531	1.9
271.26337	35.4
283.17432	2.1
327.19943	1.8
353.21378	1.3
373.57483	1.3
450.26190	1.3
503.30612	1.6
547.33209	11.3
605.37567	1.6
887.25635	1.5
887.54742	1.5
892.66376	14.6
923.02667	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.2
67.05505	19.4
69.03440	2.3
69.07063	14.6
71.00967	1.1
71.01355	21.0
71.04995	63.4
73.02904	4.3
75.04482	8.9
79.05489	10.0
81.03401	1.2
81.07061	30.4
83.04996	6.0
83.08617	9.2
85.02907	99.5
87.04439	2.0
91.05478	11.4
93.07049	24.0
95.01316	5.8
95.08609	68.4
96.08903	1.5
97.02887	5.3
97.10172	5.4
99.00804	1.1
99.04438	2.4
99.29581	1.1
100.69203	1.3
101.02381	40.8
103.03933	2.6
105.07027	24.6
107.08596	41.2
109.10157	48.6
111.04463	7.0
111.08054	1.7
111.11707	3.8
113.02364	3.3
117.07011	2.6
119.08585	34.6
121.06403	1.1
121.10144	37.9
123.11719	22.5
127.03918	28.1
129.05490	27.1
129.06935	1.4
131.08577	5.9
133.10136	32.1
135.11696	30.3
137.05948	1.3
137.12347	1.3
137.13234	7.9
141.01843	11.3
143.08562	1.6
145.04965	84.2
145.10120	10.0
147.06525	10.6
147.10490	1.6
147.11681	25.6
149.13252	19.1
151.14786	2.3
157.10080	2.2
159.02888	3.7
159.11713	14.2
161.13254	27.3
163.14828	16.8
173.13268	9.4
175.14824	22.2
177.16389	27.5
179.17876	3.5
184.07413	2.0
185.13263	1.7
187.14828	12.8
188.15030	1.4
189.16379	47.3
191.16194	2.2
191.17950	44.5
199.14809	1.3
201.16362	16.7
203.17972	29.1
205.19543	10.8
207.17462	5.3
213.16251	2.1
215.17920	10.6
217.19528	32.9
219.21085	4.1
221.19066	1.3
223.13657	1.3
227.18057	2.8
229.19502	14.3
231.21051	6.6
241.19539	3.3
243.21106	7.6
245.22633	5.0
255.08641	2.4
255.21088	4.2
257.22623	9.0
259.24335	1.6
269.22617	4.3
271.24228	8.2
273.09698	1.7
283.24219	2.8
285.25635	2.3
291.10657	1.4
297.25745	6.8
305.08585	2.8
311.27176	1.9
365.32010	1.4
383.20593	8.6
407.36734	100.0
408.37000	9.0
425.37680	15.7
426.38034	1.7
583.39929	1.6
601.41064	17.3
891.47015	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	891.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.9
67.05167	1.3
67.05506	16.1
69.03415	1.2
69.06725	1.0
69.07071	15.4
69.52150	4.7
69.57619	0.7
70.06591	1.4
71.01358	19.4
71.04995	61.6
72.08150	0.7
73.02917	4.0
75.04476	7.9
76.71983	0.6
77.73624	0.7
79.05486	9.2
81.07059	31.1
83.04982	6.5
83.08625	9.1
85.02907	100.0
86.09710	2.6
87.04478	2.0
91.05480	9.0
93.07050	22.7
95.01340	4.6
95.04974	1.4
95.08607	66.2
97.02894	1.7
97.10168	5.1
99.00845	0.9
99.04450	1.9
101.02385	38.5
103.03981	1.7
105.07031	25.4
106.55084	0.6
107.08600	37.6
109.10157	51.5
111.04444	6.9
111.11716	4.3
113.02384	3.5
117.07030	2.7
118.42978	0.9
118.65708	0.8
119.08585	35.3
121.10148	36.8
123.08163	1.0
123.11711	20.3
127.03919	21.4
129.05484	30.1
131.03403	1.5
131.08582	6.0
133.10139	30.0
135.11693	26.0
137.05963	0.9
137.13242	7.3
141.01849	9.6
143.08578	1.4
144.75270	0.7
145.04964	89.5
145.10121	12.3
147.06522	11.3
147.11685	23.7
149.13257	19.3
151.14835	1.3
157.10153	2.0
159.02930	3.3
159.11690	13.4
161.13266	27.4
163.14835	15.0
167.40860	0.7
171.11636	1.6
171.32108	0.7
172.12283	0.8
173.13260	9.2
175.14832	18.3
177.05472	1.5
177.14821	0.9
177.15077	0.5
177.16383	25.1
179.17943	3.7
185.13254	2.2
187.14838	10.0
189.16385	46.2
191.17964	48.0
195.63972	0.8
199.14885	1.7
201.16399	15.8
203.17970	27.8
204.18285	1.0
205.19527	12.2
207.17496	5.0
213.07513	1.0
213.16479	2.2
215.17932	12.1
215.19890	1.0
217.19522	36.5
219.21028	6.2
221.18968	1.2
227.17943	3.0
229.19525	14.0
231.21117	9.1
241.19551	2.8
243.21115	5.9
245.22693	6.7
255.08688	2.0
255.21111	2.6
257.22702	8.0
259.08514	0.7
259.24139	1.7
269.22592	5.3
271.24176	7.9
273.09531	1.3
279.89795	0.8
283.24246	2.9
285.25833	2.4
291.10764	3.1
297.25806	8.1
299.27356	0.8
305.08633	1.6
311.27402	1.7
313.28760	0.9
315.26941	1.4
323.27246	1.0
337.29028	1.1
365.31934	1.5
383.20651	8.7
407.36734	97.0
408.37009	2.9
425.37796	16.6
426.37793	1.3
474.90482	0.7
491.30045	1.2
592.14252	0.9
601.31384	1.1
601.41040	18.6
795.48511	0.8
891.46564	5.1
900.56934	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.0
67.05508	48.9
69.03429	2.4
69.07068	16.6
69.26958	5.5
71.04999	3.0
71.08629	1.3
73.02917	3.0
79.05496	24.4
81.03403	0.8
81.07059	56.3
83.04989	1.0
83.08619	10.4
85.02909	13.4
85.06541	5.5
91.03952	8.2
91.04903	0.7
91.05481	14.7
93.07044	25.6
95.04983	1.6
95.08609	81.7
97.02901	7.6
97.06543	5.1
97.10178	3.4
98.20763	1.0
99.08106	1.3
103.05453	0.7
105.04519	1.0
105.07034	14.5
107.08596	13.3
109.02843	1.1
109.06478	0.7
109.10159	22.8
111.08083	1.3
113.09642	0.6
115.03939	0.6
117.07021	2.4
119.04953	0.6
119.08573	10.2
121.10137	11.7
123.08035	1.9
123.11710	3.4
125.09682	0.6
127.03950	2.6
127.07512	0.6
131.08578	4.7
133.10146	9.2
135.11702	9.5
137.05983	1.2
137.09622	0.9
137.13280	3.5
145.04984	4.1
145.10152	4.3
147.11667	3.3
149.13245	4.8
151.14848	1.4
159.11707	2.1
161.13251	11.6
163.06035	4.2
163.14862	2.0
167.14314	0.6
173.13280	2.8
175.14818	0.9
177.16437	0.9
179.14290	4.1
179.28778	0.6
187.14857	1.0
197.15437	2.2
199.14919	0.6
201.16391	0.8
215.16486	1.8
233.22610	0.6
243.21114	3.0
261.22156	11.3
269.17578	1.8
271.19043	70.3
272.20062	1.9
317.24777	2.4
335.25803	75.7
336.26346	1.3
394.27475	2.2
439.35718	1.1
457.36960	0.7
473.27353	0.7
513.39191	0.7
531.40479	100.0
532.40863	2.0
549.41425	3.6
561.36957	0.6
603.03064	0.6
736.51563	0.8
785.78766	0.6
890.57904	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	890.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.2
69.03419	0.6
73.02892	0.6
77.03923	0.6
79.05062	0.7
79.05499	11.4
81.07059	1.1
83.08617	0.4
85.02900	0.5
91.05487	0.9
93.07039	0.8
95.04975	2.1
101.90658	0.4
103.05473	8.9
105.07038	89.3
106.06577	0.6
107.08576	0.5
109.90588	0.4
118.06570	1.3
121.10165	0.4
124.52959	0.4
131.07317	0.8
132.08144	0.6
146.09671	1.3
160.11253	0.8
171.99712	0.3
184.07394	0.8
222.12881	0.5
236.14459	0.9
244.20793	0.8
250.15904	1.9
255.66443	0.4
272.20084	7.7
290.21210	1.2
328.40021	0.4
335.25809	0.5
337.27591	0.4
346.23663	0.6
364.25214	1.1
369.03061	0.4
390.70502	0.4
391.28503	0.3
394.27426	33.2
395.27994	0.7
399.85037	0.4
434.30518	0.5
450.30276	1.2
493.99915	0.4
524.56519	0.4
612.35162	4.7
728.53119	2.8
836.01221	0.4
890.57800	100.0
891.58148	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	887.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.3
67.59585	0.2
69.03442	2.3
69.07091	0.3
71.05003	0.4
71.08632	1.2
71.56973	0.3
73.02919	2.6
81.03416	1.4
81.07061	3.1
83.08618	0.7
85.02911	4.4
85.10204	0.7
87.04478	0.4
90.98190	0.3
91.03959	3.2
91.05482	0.6
92.12263	0.3
93.07058	0.5
95.08614	1.5
97.02895	4.2
99.04475	0.6
101.02409	1.4
103.03965	0.3
105.07049	0.7
107.08556	0.3
109.02883	0.7
109.10181	0.5
112.64452	0.4
115.03929	0.3
118.93692	0.3
119.08590	0.8
121.10151	0.3
123.11722	1.1
127.03908	1.6
145.05029	0.6
147.11688	2.4
158.79286	0.3
165.12798	1.0
185.04256	1.0
203.05319	0.9
243.08499	1.3
251.12540	1.1
269.12497	0.6
296.68866	0.3
307.15164	0.7
313.27411	0.7
347.09518	3.6
363.09299	0.3
365.10562	1.6
405.13623	3.0
425.21664	0.7
469.20456	12.4
497.30875	3.5
563.39880	0.5
587.26398	0.4
631.25623	7.4
642.72931	0.4
659.36194	3.8
725.44733	2.5
887.49744	100.0
888.50018	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
62.83103	1.2
67.05502	4.5
69.03065	1.0
69.03436	2.4
69.07067	2.5
70.95979	3.3
71.05000	3.8
78.46169	1.4
79.05493	1.6
81.03434	5.8
81.07055	2.0
82.01865	1.2
83.04984	1.3
85.02906	4.6
89.06081	1.2
91.05484	3.7
93.07040	4.3
94.06555	6.5
97.02886	2.1
105.03399	1.5
105.06988	1.7
107.04912	1.1
108.08133	6.9
109.02903	3.0
111.08105	1.2
120.04504	1.7
120.08109	4.2
122.06038	16.4
124.03966	1.2
126.59975	1.0
127.03920	4.9
134.06047	5.8
136.07574	11.8
139.69856	1.0
140.07066	3.5
144.08087	1.7
146.06012	5.0
148.07576	7.5
151.07578	1.2
152.07103	1.7
158.09637	1.3
160.95499	1.2
162.09151	8.0
163.03893	1.2
164.07088	3.6
166.08698	2.2
167.07048	1.4
172.03992	1.6
172.07664	1.6
174.05525	3.7
177.05530	1.4
180.10178	5.1
190.08778	2.2
197.08446	1.3
199.08920	1.4
201.10277	1.3
204.06630	2.7
208.09656	10.8
209.10901	1.5
210.11331	1.5
211.08665	1.9
211.12231	2.6
213.10287	1.9
215.11813	1.8
221.10648	1.6
222.11443	2.6
223.08511	6.3
223.12265	6.1
224.09442	1.8
224.13173	3.4
225.10262	20.5
225.13930	3.9
226.11040	3.8
227.08199	4.1
227.11765	5.5
229.09810	2.8
235.08667	6.5
235.12305	2.4
236.09499	4.6
236.13350	1.5
237.10229	14.2
237.13834	5.7
238.10965	13.2
239.11818	20.3
239.15483	1.8
240.12605	6.4
241.09738	3.2
241.13350	5.2
243.11313	3.4
244.11681	1.5
247.12393	1.9
248.09105	2.3
249.10236	14.3
250.10977	17.9
251.08064	5.9
251.11819	61.5
252.12556	12.2
253.09805	3.4
253.13364	20.4
254.14095	2.5
255.11336	1.6
258.58951	1.3
259.10666	1.8
261.10132	1.7
261.12515	1.6
262.11157	1.6
263.08139	1.7
263.08746	2.3
263.11823	32.8
264.09106	2.8
264.12622	7.5
265.09796	13.7
265.13397	67.9
266.10590	7.2
266.14063	9.6
267.11353	9.4
267.14902	8.5
268.11969	2.9
269.09384	2.3
269.12820	3.2
271.10724	2.7
273.12811	1.2
275.11819	2.9
277.09851	6.7
277.13416	4.9
278.10300	8.6
279.11310	34.4
279.14435	1.3
280.12103	8.5
281.12900	9.4
283.10849	9.3
283.14105	2.1
285.12140	6.2
291.11310	14.0
292.12112	3.3
293.09579	2.3
293.12836	30.1
294.13602	4.4
295.10919	5.2
295.14484	12.7
296.11594	4.3
297.12402	10.8
298.13153	4.9
299.13913	10.3
305.12939	3.3
307.10745	2.7
309.12332	18.3
310.13043	4.7
311.10269	1.9
311.13901	40.2
312.14603	2.9
313.12262	1.4
313.15591	7.5
319.10895	8.1
319.14288	2.2
320.11505	1.9
321.12286	16.8
322.13028	2.4
323.13962	6.0
324.14548	1.5
325.11935	3.2
325.15543	2.6
333.12491	2.8
335.13977	2.4
336.11133	1.5
337.11798	6.7
338.12668	2.9
339.13437	10.7
340.14227	1.9
341.15039	3.4
344.13751	3.3
344.17593	1.5
351.13486	5.5
353.15002	17.3
354.15573	1.6
355.16470	5.3
356.13983	1.9
357.14703	2.6
358.15479	2.5
365.15137	1.8
369.14557	11.0
370.15271	2.1
371.16037	20.1
372.17072	3.5
379.13049	1.7
381.14386	3.1
383.16342	1.3
385.17822	1.3
386.18561	3.1
395.15976	3.6
396.17032	1.8
399.15567	1.9
400.16486	3.5
407.15942	2.0
411.15567	5.3
412.16623	1.3
413.17181	10.2
414.18002	6.4
415.19241	1.5
416.19760	5.2
419.16064	2.6
421.17615	1.9
423.15485	2.6
424.17227	1.3
427.18768	1.6
432.19138	6.2
435.15567	4.8
436.16608	1.6
437.17172	12.9
439.14551	1.9
440.15710	2.5
441.16516	2.6
442.17542	4.9
443.17966	2.7
447.16052	4.9
448.18463	1.5
453.16684	8.8
454.17554	2.8
455.18210	15.7
459.17755	1.6
460.18835	4.7
463.15012	6.0
463.83670	1.5
464.15561	2.2
465.16818	12.6
467.18039	4.2
471.17575	3.6
473.19128	4.7
474.20303	8.2
477.16519	1.9
479.17963	3.5
480.21353	3.9
481.15948	8.7
482.16718	7.5
483.17740	17.7
484.19730	1.6
492.21732	6.8
494.22754	3.4
495.17596	6.1
497.19296	15.0
499.16599	1.9
501.18295	3.7
502.19815	1.8
504.21005	1.5
513.18677	21.0
514.19135	3.1
515.20306	33.9
516.20923	1.7
534.22296	11.6
540.21301	4.3
542.22803	3.8
558.22583	6.7
559.23071	1.7
564.23083	1.8
568.21594	8.2
570.22705	1.9
576.23212	2.8
582.22339	2.3
583.25397	1.7
586.22308	27.9
587.22180	3.8
588.23193	6.9
589.24225	2.7
594.24451	4.3
600.23401	56.4
601.24878	5.0
602.25256	2.6
604.23071	17.8
606.24475	8.8
615.28027	3.2
618.24475	68.3
619.25134	15.3
620.26031	10.1
621.26617	13.0
622.24017	2.0
624.25244	2.9
636.25562	100.0
637.25940	6.7
638.27148	2.5
643.28033	2.3
654.26801	6.6
655.26086	2.1
656.27948	2.0
675.29901	5.0
676.30554	6.0
691.27258	3.8
692.27844	2.1
709.28589	18.7
710.29266	71.4
711.28186	1.7
723.30273	27.5
727.29871	11.8
741.31268	41.4
742.31824	37.6
743.30920	1.6
745.31470	6.0
759.32513	14.4
775.31531	2.1
777.33173	15.4
793.32690	3.5
851.36060	3.5
883.40399	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	882.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	1.1
67.05505	22.1
68.21183	0.4
69.03425	1.8
69.07066	13.4
69.27914	0.4
69.31267	3.1
71.04994	3.0
71.08633	19.9
73.02917	2.9
79.05488	9.7
81.03415	1.1
81.07057	64.2
82.36415	0.4
83.04990	5.5
83.08138	0.8
83.08618	13.2
84.30850	0.4
85.02905	12.1
85.06548	3.7
85.10181	11.3
87.04471	0.8
89.06040	1.3
91.03959	7.5
91.05479	14.3
93.07041	7.5
95.04967	1.6
95.08607	27.3
96.04519	0.4
97.02901	6.3
97.06535	4.5
97.10168	4.2
99.04459	1.0
99.08088	3.3
99.11737	0.6
101.06013	1.3
103.05481	0.4
103.07590	0.8
105.07030	24.7
107.04929	0.5
107.08600	9.5
109.02886	1.0
109.06516	3.7
109.10159	8.0
111.08067	1.1
111.11703	0.6
113.06049	1.1
115.03912	0.5
119.08582	18.2
121.09429	0.3
121.10141	14.0
123.08096	3.2
123.11709	26.8
125.09618	0.7
125.13258	0.6
127.03938	2.0
127.07561	2.5
129.07002	1.3
131.08554	0.7
133.10136	1.6
137.13254	2.7
141.09085	1.0
145.04947	2.9
145.10094	0.8
147.11687	58.2
151.14871	0.5
156.90848	0.4
157.10170	1.4
163.06026	3.4
165.12756	23.8
175.11188	2.5
183.13774	2.4
193.12314	1.4
211.13383	0.5
229.14284	3.3
239.23637	2.1
257.24701	2.8
267.15918	81.8
268.16348	0.7
285.16962	94.3
286.17325	1.3
298.27380	0.5
313.27359	94.9
314.27750	1.1
320.92111	0.4
331.28290	2.0
523.39954	100.0
524.40228	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	883.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	6.2
69.03429	5.9
69.07045	1.8
69.47949	11.5
69.48370	3.3
70.06599	6.4
71.05008	2.6
79.05476	2.1
81.03399	8.5
81.07061	5.0
84.08168	2.2
85.02897	8.6
85.08501	1.7
86.09683	2.3
87.04472	2.1
91.05495	3.5
93.07038	6.0
94.06590	4.1
95.04992	2.5
95.08609	4.3
96.08067	1.9
97.02883	5.9
97.06544	2.0
98.97568	2.2
99.04464	2.6
107.04975	1.9
107.08592	2.5
107.95505	2.2
108.08128	7.2
109.02879	6.5
109.10175	2.0
119.08595	4.4
120.08115	3.1
122.06055	18.9
124.07614	1.7
127.03959	4.9
134.06012	3.7
136.07574	11.3
137.05981	3.5
146.06056	3.6
148.07565	8.5
160.07504	2.3
164.07118	3.9
165.09064	2.1
172.07672	2.0
174.05487	4.9
174.09180	2.3
204.06458	2.7
206.08299	2.7
208.09779	2.2
211.08650	2.6
211.12454	2.2
213.10281	3.1
222.11484	3.1
223.08766	6.3
223.12268	5.0
224.13159	2.0
225.10219	16.9
225.13719	2.4
226.11089	3.0
227.11839	10.8
231.34666	1.9
235.08716	4.6
235.12288	3.9
236.09428	3.5
237.10294	10.7
237.13914	3.8
238.10931	8.5
239.11794	18.9
240.12566	5.0
241.09779	2.1
241.13371	3.9
248.09361	4.5
249.10211	15.5
249.14177	2.0
250.10988	19.4
251.08194	5.6
251.11801	56.0
251.14433	2.7
252.12502	8.7
253.09784	6.1
253.13380	17.0
254.14188	3.2
255.11336	2.9
261.13062	1.8
262.11002	2.2
263.11826	29.3
264.09091	4.2
264.12543	9.1
265.09818	14.3
265.13382	56.0
266.10483	7.1
266.14197	4.6
267.11359	8.5
267.14944	6.1
268.11990	2.1
269.12891	4.5
275.11758	4.5
276.12512	2.1
277.09692	6.8
277.13388	6.7
278.10367	10.0
279.11328	38.7
280.12173	5.5
281.09546	2.9
281.12881	8.8
283.10849	8.7
284.11804	2.0
285.12299	4.8
289.09906	2.2
291.11227	12.2
292.11893	5.1
293.09586	3.8
293.12814	28.7
294.13531	5.0
295.10822	6.0
295.14441	14.7
296.11597	5.3
297.12430	12.6
298.13123	3.6
299.14041	5.3
303.11267	2.3
307.10822	5.1
307.14301	2.4
309.12381	17.0
310.13028	3.9
311.10620	3.7
311.13925	38.2
312.14664	3.2
313.15646	3.9
319.10791	6.9
321.12238	16.2
323.13879	4.2
325.15390	2.2
337.11813	5.9
338.12958	2.5
338.20737	2.0
339.13412	12.6
341.15305	4.0
344.13943	6.9
351.13321	5.4
353.14978	15.5
355.16660	3.7
357.15167	2.5
358.15295	4.3
360.16672	2.3
369.14465	8.8
370.15466	5.0
371.16110	18.8
372.17130	4.9
381.14627	3.3
383.16461	2.4
386.18631	5.4
395.16299	2.4
398.14227	2.1
399.15619	5.5
400.16592	4.5
401.16571	2.9
411.15366	4.5
413.17303	10.4
414.17984	11.0
416.19669	4.8
419.16360	2.1
422.15121	2.6
432.19531	8.5
435.15323	4.5
437.17075	8.8
440.15570	3.3
441.16315	2.9
442.17526	6.5
443.18326	2.3
447.15784	4.5
453.16556	5.5
454.17743	2.8
455.18283	12.3
460.18600	4.5
463.15063	5.9
465.16528	10.0
473.19168	4.4
474.20422	9.9
478.23865	2.7
479.18201	2.6
481.15997	7.1
482.16772	4.5
483.17828	13.0
492.21216	7.7
495.17572	5.6
497.19110	11.6
501.18900	2.0
513.18616	18.7
515.20209	26.2
534.22345	15.6
540.21466	3.9
558.22443	8.2
568.21106	5.8
572.23987	4.2
576.23322	5.9
585.25885	3.5
586.21881	25.5
587.21619	2.1
590.24615	6.4
594.24384	2.3
599.28809	2.6
600.23480	61.1
603.22253	3.3
604.22839	20.7
605.23474	3.4
618.24493	65.8
621.26624	2.3
622.27051	2.6
627.27496	2.1
635.23846	2.5
636.25494	100.0
637.25958	11.1
650.23529	3.9
659.30518	5.4
690.26801	3.0
693.28955	14.8
707.30695	26.0
708.28497	3.7
709.28546	2.8
711.30444	10.9
723.30621	3.1
725.31549	26.5
726.28662	70.4
727.29218	3.2
729.30487	6.9
739.30341	2.6
740.30255	3.8
741.30823	5.1
742.32062	15.2
743.32355	11.6
757.31158	2.7
758.31433	26.1
761.33789	12.1
793.33984	2.2
851.35931	8.2
883.43927	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	881.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91363	1.0
67.05497	3.7
68.81332	1.0
69.03431	3.6
69.07074	7.5
70.06571	1.4
71.04986	3.6
73.02915	1.3
79.05495	1.6
80.05047	1.1
80.30978	0.8
81.03419	7.7
81.07053	2.8
83.04960	1.5
83.08618	1.9
84.14621	0.9
85.02896	2.9
85.06561	1.1
87.04450	1.0
89.06026	2.4
90.13872	0.8
91.05479	3.4
93.07036	2.2
94.06577	8.3
95.04968	3.3
95.08602	2.1
96.72623	0.8
97.02885	2.7
97.06541	1.1
98.21497	3.0
99.04467	1.2
105.07066	1.7
106.06567	2.3
107.04975	1.2
108.08129	3.8
109.02874	3.8
109.06495	1.8
109.10135	2.6
110.06118	1.0
110.97600	0.9
112.07573	1.8
116.98566	1.2
117.07040	1.0
118.06527	2.3
119.08578	1.3
120.04367	0.9
120.08093	3.0
121.05193	1.3
121.10180	1.0
122.06039	22.1
123.11720	1.0
124.07660	1.2
127.03936	5.0
131.08577	1.1
132.08113	1.1
133.10117	2.7
134.06039	2.2
135.11664	0.9
136.07590	3.4
136.08594	0.9
137.05986	3.5
138.05467	1.4
140.07059	24.5
144.04462	3.1
145.10109	1.2
146.06000	13.0
147.06685	1.5
148.07565	6.0
150.09200	1.5
155.14246	1.3
160.07549	2.2
162.05537	3.5
164.07109	1.7
165.12807	1.3
167.07106	1.3
172.03947	15.9
172.07549	3.4
172.11212	1.1
173.04755	1.9
174.05510	18.6
176.07076	6.1
178.08571	1.0
182.09673	2.7
184.09937	1.6
186.09192	2.1
188.07141	1.2
190.04979	4.2
190.08588	1.0
191.05777	1.7
191.08188	2.4
191.14319	1.2
192.06517	3.1
197.10788	3.2
198.09131	2.4
199.12254	8.0
204.06566	28.9
206.08154	5.7
207.06459	1.2
208.09724	1.0
209.10683	2.2
210.09155	3.0
210.11250	1.2
211.08632	4.4
211.12231	1.7
212.09451	4.1
215.11804	1.7
216.10233	1.6
224.10965	1.4
225.10223	12.5
226.08781	1.6
226.11003	4.7
227.11787	72.1
228.06488	1.5
235.08664	1.5
237.10329	6.8
238.11038	3.7
239.11810	8.5
240.10391	1.5
240.12630	2.5
241.09784	1.7
241.13313	4.5
243.11270	7.7
249.10275	4.0
250.07254	1.3
250.11057	1.7
251.11824	9.8
252.12523	2.5
253.09790	6.0
253.13409	2.2
255.11333	3.1
256.11890	1.3
257.12698	1.1
261.12451	1.4
262.10980	1.5
263.08157	4.1
263.11670	2.6
264.08960	2.2
264.12735	1.1
265.09747	7.4
265.13239	2.2
267.11273	7.3
268.12207	1.1
269.09949	1.5
269.12827	20.1
271.10654	7.3
277.09723	4.1
277.13385	1.3
278.10165	1.7
279.11185	10.1
281.12903	2.2
283.10815	3.9
283.13782	1.2
284.11517	1.7
285.12396	18.4
286.13205	2.6
287.13889	11.0
291.11279	1.7
293.09317	1.1
293.12827	2.5
295.10776	2.8
296.11380	1.3
297.12335	6.8
298.13373	1.9
299.13943	6.4
300.11957	1.6
301.12119	4.4
302.12875	2.1
303.13428	1.6
305.09326	2.4
306.13327	1.1
309.12292	1.2
311.14178	2.2
312.15088	1.3
313.11649	11.4
314.12885	4.3
314.16486	1.4
315.13794	2.9
316.14462	6.4
317.15427	1.3
321.12256	2.1
323.10202	2.2
325.11761	2.1
326.13211	1.3
327.13821	2.3
327.17435	1.9
328.14566	5.5
329.11661	1.5
329.15076	14.4
330.12338	4.3
330.16003	9.4
331.12906	3.1
331.16797	7.3
332.17584	4.2
335.13760	1.2
337.11658	1.4
339.13992	1.3
340.11069	1.3
340.14651	1.6
341.11945	1.6
342.12415	9.2
342.16098	5.4
343.13193	6.4
343.16891	1.9
344.13977	3.5
344.17609	8.4
345.14548	13.7
346.19156	2.1
349.15329	1.2
351.13583	1.2
352.14410	3.3
353.15305	2.5
354.12231	2.1
354.16388	4.4
355.13776	3.3
356.13919	10.3
356.17712	1.5
357.14832	5.3
358.11450	1.5
358.15500	18.8
358.19495	1.6
359.16202	1.5
360.17078	2.7
366.12167	1.2
366.16232	1.7
367.12955	1.3
367.17075	1.5
368.13943	1.5
368.17944	2.1
369.14801	3.4
370.12112	1.3
370.15662	9.3
371.12167	1.3
371.16528	5.2
372.17194	11.8
373.17609	1.4
374.18887	1.7
377.14789	2.5
380.13696	2.1
381.14493	1.7
382.11536	6.0
382.15686	3.3
383.12387	5.7
384.13333	21.5
385.13919	5.1
385.18481	1.2
386.14505	7.6
386.18787	2.9
390.18024	3.3
392.19937	1.2
395.16098	18.4
396.17245	2.1
397.14014	1.8
397.18561	1.2
398.14975	31.0
399.15799	30.7
400.16550	41.3
401.17355	2.3
402.18515	2.1
410.15207	1.3
411.15634	2.2
412.16553	3.6
413.17108	33.4
414.18143	7.3
416.15878	3.5
417.16678	2.3
418.17715	6.6
419.17926	1.3
422.14920	2.2
424.16312	1.5
429.16330	2.2
430.17618	4.0
431.12238	1.5
431.18143	29.9
432.19406	4.6
440.16138	7.7
441.16644	3.6
442.17548	2.2
457.15674	1.2
458.17075	5.1
459.17822	1.6
460.18451	2.8
474.19717	1.3
482.16458	1.2
498.20682	2.1
500.18216	2.9
509.15073	1.2
515.20789	1.4
516.21460	2.6
526.19537	1.6
534.22101	4.2
537.24512	15.0
539.22028	1.5
540.21313	2.4
541.22351	1.3
544.20618	2.0
556.20953	1.1
558.22565	3.0
560.20349	2.1
561.20703	2.3
562.22211	4.5
566.19305	2.8
581.23334	1.2
584.20203	6.0
585.20941	1.8
599.24579	3.3
602.21338	18.2
603.22290	6.8
604.22589	4.1
612.23834	1.5
634.23804	2.8
635.24420	1.9
638.21503	1.8
641.25812	4.1
656.22327	1.8
663.28168	2.0
665.25665	1.6
673.27808	3.2
679.27448	1.7
681.29242	4.6
683.26398	1.1
689.25421	3.9
699.29639	3.0
707.27106	32.8
708.27606	21.1
709.28485	8.9
710.29095	2.3
725.28143	23.0
739.29626	5.4
741.30017	1.8
743.29193	100.0
744.29230	2.5
757.30176	4.1
775.31891	23.4
795.31805	1.5
809.65533	1.2
813.34113	5.1
831.34656	7.7
849.35535	68.3
850.34650	2.0
881.38025	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	880.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.6
65.03934	4.0
67.05503	5.1
69.03426	1.8
69.07052	1.6
70.06580	0.6
71.04984	0.4
73.02903	1.6
79.05499	4.0
81.03410	1.5
81.07057	6.2
83.08608	0.9
85.02908	2.6
86.09668	0.8
87.04459	0.5
91.03935	1.5
91.05482	50.5
92.05003	4.1
92.05570	0.4
92.05806	0.4
93.05762	0.8
93.07044	3.5
94.06557	0.8
95.04974	0.7
95.08605	3.5
97.02883	1.9
97.06519	0.4
97.10119	0.4
98.20761	1.2
99.04427	0.4
101.02376	0.7
105.07044	1.2
106.06554	1.6
106.07243	0.4
107.08583	1.5
109.06476	2.3
109.10184	2.1
117.05764	1.7
117.07014	0.5
118.06552	11.5
119.04949	20.5
119.07320	0.9
119.08567	0.7
120.08127	1.0
121.06567	0.5
121.10139	1.1
127.03954	0.7
129.07039	0.4
130.06551	1.4
131.08620	0.6
132.08104	1.3
133.10147	0.7
134.09651	0.6
135.11674	0.9
137.05980	56.6
138.06319	0.6
145.10129	0.6
146.09563	0.6
147.11646	0.4
164.07048	1.3
173.06038	0.5
175.07622	0.5
177.07861	1.4
178.08218	0.4
184.07376	0.9
202.15897	4.6
216.67961	0.3
230.15407	56.4
231.15666	0.6
248.16437	6.9
248.18901	0.4
274.18063	1.1
275.18387	0.5
286.18240	0.4
302.17554	1.6
303.18085	0.5
304.19052	11.1
320.18634	1.1
321.18930	0.4
322.20120	6.3
335.25739	2.9
384.21725	2.7
394.22238	0.8
564.40228	2.2
582.41553	2.4
656.44708	2.5
682.45160	0.4
699.46332	0.8
700.47327	3.8
818.49689	4.7
862.52472	7.6
863.52313	0.5
880.52039	100.0
881.52148	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	880.521
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02937	2.7
65.03949	4.7
67.05514	6.1
68.05836	0.5
68.56916	0.3
68.87473	0.3
69.03420	1.3
69.07076	1.6
70.06584	1.2
73.02934	2.0
77.46127	0.3
79.05499	4.0
80.43055	0.3
81.03403	1.2
81.07066	6.2
82.07399	0.4
83.08637	0.8
85.02920	2.9
86.09711	1.5
87.04447	0.3
91.03951	1.4
91.05489	51.2
92.05033	3.1
92.05820	0.7
93.05796	0.8
93.07059	3.1
94.06580	0.9
94.07392	0.5
95.04977	0.9
95.08608	4.4
97.02908	2.2
97.06546	0.4
97.10175	0.6
101.02399	0.6
103.05485	0.4
105.07034	1.3
106.06560	1.2
107.08601	2.0
109.06543	1.9
109.10191	1.8
117.05776	1.4
117.07011	0.6
118.05695	0.6
118.06555	11.8
119.04955	20.7
119.07305	0.6
119.08574	1.1
120.08099	1.0
121.06506	0.6
121.10165	2.0
123.11658	0.5
127.03929	0.4
129.07028	0.5
130.06519	1.4
131.07378	0.5
131.08565	1.2
132.08093	1.3
133.10139	1.0
134.09619	0.6
135.11700	1.1
137.05989	53.3
138.06346	0.4
145.10095	0.5
146.09659	0.5
147.11687	0.5
149.09621	0.4
161.05981	0.3
164.07115	1.3
175.07585	0.4
177.07817	1.3
178.08197	0.4
184.07420	0.7
190.08754	0.4
202.15921	3.9
230.15421	52.2
231.15767	0.5
248.16487	5.5
274.18042	1.2
275.18378	0.5
302.17526	1.7
303.17926	0.9
304.19098	8.7
320.18549	0.5
321.19043	0.4
322.20181	8.0
335.25821	4.1
384.21756	4.5
387.86575	0.3
394.22006	0.9
404.40948	0.4
417.97052	0.4
564.40692	1.5
582.41345	1.6
655.44220	0.5
656.44830	3.0
674.38861	0.4
699.46832	0.6
700.47137	3.5
718.47900	0.5
755.44995	0.3
818.49799	5.3
834.54669	0.4
862.37268	0.3
862.52472	9.2
880.52094	100.0
881.51825	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	878.6407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.7
69.07064	1.6
70.70067	0.9
70.70377	1.6
71.08633	81.3
73.02909	3.0
73.06552	2.7
73.69226	0.6
74.09709	0.9
81.07054	1.1
83.08607	2.9
85.10184	69.6
87.03925	1.0
87.04469	23.9
89.06032	100.0
97.10183	2.0
99.11731	13.9
101.06052	0.9
101.09631	1.4
103.07552	0.8
105.07012	0.8
107.07069	2.2
113.05994	1.5
113.13301	3.6
115.07585	0.8
117.09143	9.7
130.08656	3.3
131.07051	7.8
133.08603	83.4
134.08940	0.9
147.10243	0.8
151.09712	0.8
155.17955	10.9
161.11729	1.6
175.09651	5.2
177.11218	36.1
213.22147	19.6
219.12283	2.6
221.13857	8.1
223.15312	0.9
239.03784	1.0
254.24849	2.2
265.16461	2.7
271.26309	8.4
283.17651	2.6
309.19098	2.2
327.20111	1.5
353.21866	1.3
371.22922	1.3
397.24463	1.6
406.10751	0.8
441.27368	1.2
547.33545	1.2
591.36017	9.1
625.32178	0.8
631.39264	1.6
689.42932	0.9
878.64246	11.6
879.64233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.6409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46233	0.8
66.66592	0.7
67.05492	2.0
69.07055	3.0
71.08633	100.0
71.56622	1.4
73.02912	2.2
73.06540	2.3
81.07034	2.0
83.04936	1.0
83.08615	3.8
85.10183	94.0
87.04466	14.1
89.06034	74.3
90.01837	1.0
91.05473	1.6
95.04995	1.1
95.08617	1.5
96.73943	0.8
97.10150	2.4
99.11732	10.7
99.53056	1.0
101.05983	1.4
101.09677	4.2
103.07565	2.0
105.07016	1.2
106.66783	0.9
107.07085	1.8
109.10132	1.2
113.05964	1.6
117.09137	18.7
119.10809	1.1
130.08638	4.3
131.07024	7.4
133.08604	59.7
135.10159	1.6
137.05965	4.4
141.16397	11.1
147.97864	0.9
154.08607	2.5
161.11691	1.6
175.09680	6.1
177.11230	27.8
191.12750	1.0
199.20576	22.9
219.12189	2.8
221.13873	6.8
240.23175	2.9
257.24762	36.0
265.16446	1.4
283.17493	2.0
307.15341	1.2
309.18872	2.1
313.27390	7.3
327.20154	1.2
351.14435	1.7
353.21841	1.0
415.25378	0.9
425.17828	1.9
443.18945	1.4
503.30710	1.5
547.33295	11.3
587.35651	2.2
605.37195	1.3
609.21765	1.0
663.40912	3.3
681.41486	2.3
860.50757	1.5
878.64215	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	878.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.7
67.05509	10.1
68.99801	3.3
69.03432	22.9
69.07072	53.8
69.97755	2.6
69.98166	3.3
70.06596	3.6
70.78310	1.2
71.04983	4.7
71.08635	16.2
73.02914	4.4
73.06509	1.3
79.05489	4.4
79.06423	1.3
81.02975	2.0
81.03426	24.1
81.07057	10.0
83.04986	4.1
83.08624	73.4
85.02905	42.3
85.10204	3.2
86.06078	1.2
86.09702	1.7
87.00827	17.5
87.04470	10.4
87.96482	1.1
89.06036	77.4
91.03953	2.9
91.05489	5.4
93.07042	5.2
95.04977	6.0
95.08626	14.0
97.02891	16.6
97.06547	2.5
97.10175	100.0
99.04451	9.8
101.02363	2.2
103.07589	2.0
105.01878	11.4
105.07041	4.2
107.08598	2.8
109.02885	26.9
109.06484	1.4
109.10188	3.7
111.04467	5.4
111.11723	18.6
113.05998	1.8
115.03967	1.9
117.01915	2.6
117.07048	1.3
117.09155	4.3
119.08609	2.9
121.06530	2.9
127.03925	27.4
129.01828	2.1
129.07059	1.7
130.08681	1.6
131.04948	2.0
131.07062	5.9
131.08588	1.6
133.08612	65.4
134.10411	1.6
137.05974	4.9
145.04962	7.3
145.10114	1.7
147.02885	1.3
149.06010	3.7
151.14827	1.8
157.10187	1.3
157.15845	3.6
159.02882	6.3
161.05980	2.2
163.07549	1.4
164.07098	5.2
167.07083	3.3
169.15877	5.5
171.02907	1.6
171.17448	36.9
173.05971	2.0
175.07532	1.4
175.09659	3.8
175.93486	1.1
177.07831	2.5
177.11221	31.5
184.07417	3.0
185.08105	3.2
189.03941	1.5
189.18491	10.9
191.12764	2.3
213.03957	5.2
215.20135	3.3
221.13826	10.5
228.44524	1.2
229.21634	29.1
231.05032	5.5
235.15547	2.4
239.14996	2.6
247.22763	2.1
249.06165	1.9
265.16602	3.2
273.24210	2.7
283.17502	7.3
287.25830	17.3
289.09244	3.9
297.20499	1.6
302.17389	2.6
303.17816	2.4
303.73596	1.2
309.19131	4.7
320.18723	1.7
327.20145	50.0
341.21637	1.4
367.23358	14.7
385.24371	17.1
425.27557	7.1
443.27875	1.3
613.35913	2.0
613.45258	25.5
654.42535	4.8
698.45398	3.1
716.47101	1.7
816.47821	7.5
834.50714	1.7
860.50415	13.9
878.52643	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	878.532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.5
65.86658	1.0
67.05505	6.8
68.99783	2.3
69.03432	18.1
69.07068	32.3
69.32858	7.2
70.06585	3.9
71.04986	3.3
71.08621	4.2
71.71250	0.9
73.02905	4.3
79.05488	6.3
80.05014	1.2
81.03416	21.0
81.07056	14.1
83.01324	1.2
83.04972	6.1
83.08620	100.0
85.02908	35.5
85.06543	1.7
86.09735	1.1
87.00832	15.5
87.04483	7.0
89.05482	2.2
89.06034	44.9
90.18804	0.9
91.03971	1.6
91.05496	6.0
93.07041	5.5
94.07339	1.0
94.79955	1.0
95.04977	4.4
95.08605	7.9
97.02895	13.4
97.06544	2.3
97.10174	37.0
99.04465	7.4
101.06010	3.0
101.09649	1.3
103.07555	1.5
105.01874	7.2
105.07024	4.5
107.08592	4.4
109.02138	1.2
109.02884	23.2
109.10143	2.3
111.04436	5.4
111.11728	1.9
113.06026	1.3
115.07626	1.4
115.88643	1.0
117.09151	3.7
119.04955	1.1
119.08585	1.9
121.06525	2.3
121.10123	1.5
123.04431	2.0
125.05983	2.0
127.03921	24.0
129.01834	1.8
130.08615	1.2
131.07047	2.2
131.08582	1.0
133.08607	34.6
133.10118	1.9
135.11668	2.4
137.05971	6.6
137.13286	2.3
139.14807	1.6
139.32968	1.2
143.08627	0.9
145.04948	5.1
145.10196	1.0
147.02901	1.4
147.10197	2.0
147.11711	1.1
149.05974	2.1
153.12770	2.3
155.14294	6.8
157.15886	24.8
158.54976	1.0
159.02907	3.8
159.11681	1.7
161.06033	1.2
162.05478	1.5
164.07079	5.7
165.07388	1.7
167.07054	2.7
171.17491	1.1
173.06017	1.6
175.07669	1.0
175.09622	2.5
175.16939	6.4
175.21857	1.0
177.07816	2.6
177.11232	18.6
178.08459	1.6
184.07347	1.6
185.08057	2.4
189.03976	1.8
191.12787	1.3
213.03932	5.7
215.17970	1.2
215.20081	25.7
221.13829	4.1
231.05013	4.4
233.21106	2.2
238.94936	1.0
239.14830	2.2
248.20097	1.1
265.16315	2.1
273.24249	23.3
274.17993	2.1
275.18253	2.1
283.17456	20.6
289.09128	2.8
291.25427	1.1
300.22247	0.9
302.17596	2.1
303.17877	1.8
320.18323	1.1
321.18741	1.4
323.20810	3.9
327.20093	4.1
331.28592	4.6
341.21735	12.3
367.23343	1.5
381.24857	6.2
387.20032	1.1
394.22128	1.4
399.25946	4.0
425.27945	1.1
427.23297	1.9
439.29102	2.6
445.24313	1.2
450.17419	1.3
595.94257	1.2
613.45099	12.3
653.41888	2.0
654.42255	4.3
698.45404	3.0
716.46619	1.6
779.60162	1.2
816.47711	8.4
834.49713	1.5
842.48730	1.5
860.50562	14.9
878.52179	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	878.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02856	8.7
65.03876	1.1
67.05433	23.3
67.05820	2.0
69.03353	4.5
69.06996	5.7
71.04939	0.7
71.07674	1.4
73.02841	5.4
79.05490	13.6
79.05898	0.8
81.03334	2.1
81.07054	22.8
83.04932	0.6
83.08625	2.5
84.04424	0.7
85.02905	8.8
86.09647	0.4
91.03964	4.0
91.05482	9.0
93.07040	15.1
95.04895	1.4
95.08610	17.7
95.09163	0.8
96.08090	0.7
97.02886	6.5
97.06467	1.1
97.10114	1.0
99.04390	0.7
99.08027	0.4
101.02300	2.0
103.05437	1.0
105.07039	3.7
107.08601	8.2
108.28448	0.5
109.02844	0.5
109.06402	0.8
109.10149	6.6
111.07999	0.7
111.11562	0.5
115.03869	0.6
115.05378	1.2
117.06928	1.9
118.06526	0.6
119.04888	0.9
119.08569	3.0
121.06370	0.5
121.10144	5.7
123.04346	1.7
123.11698	2.4
127.03822	1.2
129.06953	1.0
131.04921	3.0
131.08568	2.4
132.08014	0.8
132.60303	0.4
133.06412	0.7
133.10120	3.2
133.53735	0.4
135.11690	2.8
137.05969	5.5
137.09532	0.6
143.04861	1.1
145.06404	1.2
145.10027	1.4
147.04320	0.9
147.11601	1.7
148.05128	0.8
149.05974	3.9
149.09538	0.4
149.13211	1.3
157.06369	1.4
159.11699	1.0
160.05098	0.6
160.07486	0.9
161.04735	0.6
161.05998	4.1
161.13145	1.8
162.05515	5.3
162.06715	1.0
163.07509	0.7
164.07080	21.5
172.07515	1.2
173.05974	7.0
173.13191	1.0
174.09074	0.8
175.06168	2.1
175.07497	1.8
176.07033	4.1
177.07855	36.2
178.08617	3.3
185.09172	0.4
186.09077	0.6
187.07513	2.2
189.07724	1.3
189.09206	0.8
190.08638	9.7
191.09433	4.5
199.07495	1.1
201.09149	0.7
202.08533	1.9
203.09311	1.5
216.10193	0.7
218.11746	0.5
228.17418	1.3
238.22551	0.5
256.16815	0.8
257.15320	0.9
267.13324	0.5
274.18005	33.6
275.18341	0.6
284.16333	0.8
287.04788	0.5
300.15771	0.9
302.17499	47.7
318.16910	0.6
319.17825	0.5
320.18558	34.6
335.25800	17.7
335.29886	0.8
346.20038	1.9
358.20145	1.6
376.21204	13.5
393.21396	1.5
394.22260	20.8
396.10986	0.6
420.23532	1.1
464.22595	1.1
497.30798	0.8
532.39813	1.1
538.26318	0.7
549.74609	0.6
636.42596	1.0
654.43646	67.0
655.44049	1.7
698.46265	28.0
699.46997	1.1
716.46527	1.1
816.48877	90.7
817.49231	3.7
842.50586	1.8
860.51489	100.0
861.52814	3.4
878.52051	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	878.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02860	8.2
61.03203	1.0
65.03874	1.5
65.04481	0.4
66.75681	0.4
67.05435	24.2
67.05830	2.1
69.03358	5.7
69.06998	6.9
71.01303	1.0
71.04932	1.3
71.41895	0.5
73.02843	5.5
75.04408	0.4
78.73874	0.4
79.05499	15.2
79.05910	1.0
81.03340	1.9
81.07061	21.9
81.07510	1.5
83.04955	0.9
83.08546	2.9
85.02908	8.3
85.06503	0.7
87.04407	0.7
91.03872	4.8
91.05484	8.9
93.07050	16.0
95.04877	1.3
95.08612	21.2
95.09160	0.9
97.02898	8.4
97.06450	1.2
97.10075	1.5
99.04388	0.9
99.72942	0.4
101.02382	2.1
103.05403	1.3
105.07029	5.4
107.08603	8.8
109.02831	0.5
109.06487	0.9
109.10164	8.1
111.08010	0.8
111.11587	0.5
115.03864	0.7
115.05414	0.7
115.90922	0.5
117.07040	2.1
119.04870	1.0
119.08575	4.2
121.10139	7.0
123.04341	0.8
123.08006	0.9
123.11726	2.2
125.09570	0.6
127.03821	1.6
129.06927	1.2
131.04855	1.9
131.08569	3.5
133.06438	0.6
133.10146	2.4
135.11696	3.9
137.06004	3.5
137.13251	0.8
141.06831	0.6
143.04832	1.0
145.04851	1.4
145.06415	1.6
145.10043	1.9
146.06075	0.5
147.04343	0.8
147.11591	1.8
148.05125	0.5
148.07516	1.0
149.04880	0.6
149.05966	3.7
149.13171	2.0
153.06969	0.5
155.08461	0.5
157.06424	1.3
159.08012	0.6
159.11597	1.3
160.05109	1.1
160.07500	1.5
161.05998	2.7
161.13182	1.7
162.05507	4.6
163.07497	0.8
163.14864	0.9
164.07074	21.7
169.06371	0.5
171.07936	0.6
172.07492	1.4
172.31824	0.4
173.05992	5.6
173.13206	0.9
175.06171	1.4
175.07512	2.7
175.14804	0.6
176.07101	4.0
177.07864	29.0
178.08673	3.0
180.13779	0.6
187.07535	1.1
187.14775	0.5
188.06981	1.0
189.07678	0.6
190.08633	9.2
191.09447	3.7
192.06389	0.7
198.01654	0.4
199.07500	0.8
202.08563	1.3
202.16902	0.5
203.09273	1.2
203.17903	0.6
216.10193	0.8
228.17470	0.6
256.16895	0.8
257.15436	0.8
261.22211	0.8
274.18033	28.4
284.16519	0.6
300.15796	0.9
302.17520	43.8
320.18576	23.8
320.22388	0.9
328.18979	0.5
331.06039	0.5
332.18494	0.6
335.25815	24.8
346.20154	1.7
358.20151	1.6
375.20590	0.5
376.21191	9.4
392.20615	0.8
393.21478	1.6
394.22260	24.5
395.22916	0.5
407.37048	0.5
408.37225	0.7
420.24188	0.5
464.22824	0.7
486.13309	0.5
497.31384	0.7
519.32562	0.6
654.43689	58.5
655.44067	1.5
698.46259	21.6
699.46838	0.7
816.48920	86.7
817.48450	3.0
842.50641	1.3
860.51544	100.0
861.51801	3.4
878.51514	6.9
879.50494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.5
65.03966	0.5
67.05514	7.8
69.03439	2.5
69.07068	4.6
70.06596	0.5
71.01373	2.3
71.04982	1.0
71.56901	0.5
72.82738	0.3
73.02922	4.8
73.80086	0.3
75.04491	0.5
75.91399	0.3
79.05496	6.0
81.03414	1.7
81.07066	8.9
82.07404	0.6
83.04996	0.4
83.08621	1.6
85.02907	7.9
86.09706	0.7
87.04494	0.4
91.03963	2.1
91.05491	6.3
92.05817	0.3
93.07051	6.7
94.07404	0.3
95.01328	0.7
95.04977	1.4
95.08614	9.9
96.08946	0.4
97.02896	5.2
97.06544	1.4
97.10191	0.9
99.02437	0.3
99.04453	0.4
101.02376	5.1
103.03981	0.4
105.07037	4.3
107.04966	0.5
107.08594	6.5
109.02928	0.4
109.06521	0.3
109.10171	5.8
111.08078	0.4
111.11735	0.4
114.75935	0.3
115.03920	1.7
117.07040	1.3
119.08588	4.8
121.06502	0.9
121.10159	4.8
123.04418	0.5
123.08098	0.6
123.11685	2.1
125.09605	0.6
127.03935	1.9
129.07007	0.7
131.04944	0.6
131.08560	1.6
133.10117	3.7
135.11711	3.8
137.05975	2.3
137.13277	0.6
138.06377	0.3
141.01837	2.2
143.08600	0.4
145.04968	7.3
145.10129	1.7
147.11665	1.7
149.05992	1.1
149.09605	0.5
149.13292	1.5
157.06427	0.4
157.10110	0.4
159.03030	0.4
159.11639	1.8
160.12405	0.4
161.05980	1.5
161.13240	2.2
163.07524	0.4
163.11243	0.5
163.14832	1.3
164.07056	2.0
165.07431	0.5
171.08156	0.3
173.06007	1.1
173.13344	1.0
175.07616	0.7
175.14906	1.3
176.07037	0.5
177.07866	2.7
177.16418	1.9
178.08449	1.0
184.07350	0.8
185.04106	0.4
187.07634	0.6
187.14906	0.8
189.09193	0.6
189.16382	3.5
190.08673	1.2
191.09277	0.5
191.17955	2.9
201.16461	1.3
203.17943	2.1
205.19597	0.8
207.17531	1.2
215.18047	1.3
217.19513	2.8
218.08061	0.3
229.19582	1.3
231.21141	0.8
243.08487	2.4
245.22765	0.5
255.21222	0.6
257.22708	0.6
274.18079	2.5
275.18378	0.9
297.25699	0.5
302.17569	4.9
303.18073	1.7
320.18558	6.2
321.18991	3.1
333.20319	0.6
335.25723	2.0
336.26273	1.0
344.18607	0.6
349.19839	2.8
362.19531	0.4
376.21298	1.1
377.21838	0.5
389.22867	0.5
394.22379	2.9
395.22705	1.1
405.23129	0.4
407.36765	7.7
408.37491	0.4
425.37653	3.2
437.23248	0.6
439.19678	0.9
453.21051	1.1
454.24625	0.5
455.24203	0.4
549.27277	0.9
551.28296	2.3
552.29242	0.4
567.27704	3.1
569.29547	1.2
654.43726	2.2
655.43823	2.0
666.11664	0.3
679.44476	0.5
697.44745	2.2
698.46375	1.1
699.07745	0.3
714.45929	3.0
715.46088	16.4
816.49133	2.5
817.65668	0.4
859.51147	0.7
860.51477	2.8
877.49451	100.0
878.49567	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	876.6194
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.6
65.03953	0.4
67.05510	4.6
68.05017	0.6
69.03432	2.6
69.07073	1.8
69.26432	1.7
69.26852	1.1
69.88259	0.3
70.06586	1.6
71.01351	0.4
71.04998	0.4
71.08633	2.1
73.02924	3.3
79.05495	3.9
80.05020	3.4
81.03438	0.9
81.07058	4.8
82.06590	1.4
83.08606	1.0
85.02897	3.3
86.09704	1.1
88.48759	0.3
91.03944	2.0
91.05484	2.5
93.05791	0.4
93.07046	4.1
94.06586	1.8
95.04972	0.5
95.07371	0.4
95.08610	3.8
95.12020	0.3
96.08164	1.5
97.02891	2.8
97.06492	0.4
98.06068	0.6
98.09719	1.5
101.02390	1.0
104.66896	0.4
105.07023	1.6
106.06555	0.3
107.08589	2.8
108.08123	5.5
109.02880	0.4
109.08897	0.9
109.10155	1.5
110.09695	1.9
112.07597	1.4
115.03941	0.4
117.07011	0.6
119.08584	1.2
120.08125	0.4
121.08792	0.3
121.10155	1.1
122.09695	2.9
122.10513	0.5
123.10467	0.9
123.11713	0.6
124.11229	2.8
127.03931	0.9
131.08539	0.5
133.10167	0.5
134.09663	0.6
135.11711	0.6
136.06223	0.4
136.11234	3.6
137.05992	0.5
138.12764	1.1
145.10234	0.5
147.11621	0.3
149.05986	0.5
150.12776	10.0
152.14349	0.6
161.13269	0.4
162.07738	0.5
162.43983	0.3
164.14346	3.1
165.15125	0.9
166.15918	0.9
168.13855	3.8
176.14362	0.7
178.08650	0.4
178.15923	12.4
180.17445	1.5
184.07346	0.4
190.15833	0.4
192.17517	2.4
193.18268	0.9
194.19029	0.7
204.17549	0.4
206.19051	2.1
218.08076	0.5
218.15422	2.1
218.18962	0.5
220.20592	0.7
236.16438	0.9
246.18605	2.0
248.20032	1.9
248.23779	0.3
250.18141	0.9
262.21579	0.4
264.19617	1.3
264.23215	1.1
266.21024	1.5
280.22562	2.4
290.28445	1.4
292.22791	0.6
306.24344	4.6
308.25891	0.6
316.18796	0.3
318.27936	3.0
320.25861	0.4
334.27396	2.2
335.25815	1.1
336.28964	23.4
337.29630	0.3
344.18680	0.6
380.31647	0.5
390.29883	0.5
392.31531	2.5
408.31146	0.6
410.32748	1.0
554.36987	2.4
600.45764	0.4
614.47833	1.6
668.52716	2.2
668.62305	0.4
670.54047	15.4
671.54657	0.5
696.44073	1.0
714.44940	0.5
714.56287	0.5
754.46857	0.3
776.52698	0.7
802.54230	0.6
830.57214	0.5
832.59338	47.3
833.59430	1.8
876.62012	100.0
877.62299	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	876.6195
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.1
61.59678	0.3
65.03954	0.4
67.05503	5.8
68.05027	0.7
69.03424	2.8
69.07081	2.0
70.06595	0.9
71.05000	0.8
71.08626	2.1
71.56909	0.4
72.04520	0.6
73.02918	3.6
79.05495	4.6
80.05015	3.4
81.03425	1.2
81.07057	5.3
82.06594	1.3
83.04996	0.4
83.08631	0.7
85.02908	3.2
86.06106	0.3
86.09743	0.9
87.04502	0.4
91.03944	2.4
91.05473	2.9
93.05787	0.5
93.07042	5.4
94.06593	1.3
95.04966	0.3
95.07322	0.4
95.08606	4.4
96.08167	1.0
96.21659	0.3
97.02890	3.2
97.10162	0.5
98.09723	1.3
99.04524	0.5
101.02408	1.1
103.05522	0.5
105.07047	1.8
106.06609	0.4
107.08604	2.1
108.08131	4.1
109.02913	0.5
109.08927	1.0
109.10148	2.3
110.09714	1.4
112.07632	1.5
117.07037	0.7
119.08615	1.5
120.08117	0.4
121.10191	1.3
122.09673	3.3
122.10336	0.3
123.04467	0.6
123.10457	0.8
124.11221	2.5
127.03945	1.0
131.04936	1.2
131.08589	0.8
133.10162	1.0
134.09660	0.8
135.11717	0.9
136.06270	1.4
136.11220	4.0
137.06021	0.8
137.12100	0.6
138.12787	0.6
140.14262	0.3
141.07080	0.4
145.06483	0.6
145.10179	0.6
147.11696	0.6
149.05988	2.6
150.12787	10.3
150.13986	0.5
152.14420	0.8
157.06448	0.4
159.11723	0.4
161.05983	0.7
162.07800	1.0
163.07581	0.6
164.07062	1.7
164.14345	3.3
164.74614	0.3
165.15198	0.7
166.15979	0.9
168.13853	4.5
168.17468	0.5
173.06062	0.5
175.07576	0.5
176.07202	1.3
176.14413	0.6
177.07883	0.4
178.15910	9.9
180.17535	1.2
186.31517	0.4
190.08754	1.0
192.10223	0.5
192.17493	4.3
193.18309	0.6
194.15430	0.4
194.19142	1.4
204.13974	0.7
206.18996	1.8
210.81903	0.3
218.08130	2.3
218.15501	1.6
218.19150	0.6
220.17084	0.4
220.20679	0.6
236.16594	0.7
246.18477	2.2
248.20096	2.5
250.18307	0.5
264.19730	0.8
264.23315	0.6
266.21436	1.1
280.22763	2.3
288.16315	0.4
290.28589	1.1
292.22849	0.8
300.16071	0.5
302.17682	0.4
306.24231	3.3
316.19257	1.3
318.27899	2.9
320.25812	0.3
334.27545	1.9
335.25858	1.7
336.28983	25.1
344.18478	3.6
362.20181	0.4
380.31833	0.5
392.31589	2.1
410.32828	1.0
418.22540	1.3
436.23370	0.8
480.33469	0.5
554.36810	2.4
614.47968	1.2
654.43781	0.5
668.53400	1.7
670.54059	15.5
671.54572	0.6
678.43481	1.8
696.44714	9.0
714.45868	1.2
776.52704	0.5
816.49866	0.6
832.59338	41.7
833.59485	1.4
858.50330	1.6
876.62079	100.0
877.47308	1.4
877.62506	3.6
903.68042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.9
65.03949	1.7
67.05505	18.2
69.03424	2.8
69.07066	6.8
70.06585	3.1
71.01351	1.0
71.04983	1.8
71.55949	1.1
73.02921	3.0
79.05496	20.4
81.03419	17.0
81.07058	17.0
82.81407	0.7
83.04966	3.9
83.08623	6.4
85.02912	6.0
85.06581	0.8
86.09711	3.0
91.03953	2.3
91.05481	27.1
93.07042	19.6
95.04966	7.2
95.08607	11.4
97.02886	4.2
97.06537	2.1
97.10165	1.7
101.02332	1.1
102.47171	0.7
103.05486	1.5
105.07030	21.2
107.05003	2.4
107.08598	11.2
109.06534	2.1
109.10156	5.0
111.04466	1.0
111.08101	2.7
115.05462	2.2
117.07027	5.7
119.04950	3.4
119.08588	13.1
119.09370	1.3
119.93749	0.7
121.06535	2.7
121.10155	7.8
123.04439	5.5
123.08110	1.3
123.11686	0.7
127.03966	1.1
128.06261	0.9
129.07002	5.2
131.04924	2.2
131.08580	9.9
133.06512	2.6
133.10126	11.0
135.04430	2.3
135.08090	0.9
135.11746	2.5
136.06154	7.4
137.05981	21.0
137.09662	1.6
139.00739	0.7
141.06973	1.6
142.07840	0.7
143.08609	2.3
145.06474	3.5
145.10101	4.0
147.04411	3.8
147.08049	2.3
147.11711	6.9
149.05954	5.1
149.09619	5.5
149.13211	1.7
151.11188	0.9
154.41690	0.9
155.08505	1.5
157.06529	2.4
157.10110	4.8
159.08078	3.1
159.11658	3.4
161.05989	8.4
161.13300	2.4
163.07484	3.8
163.11238	1.1
164.07141	3.0
165.12868	1.2
169.06508	1.2
171.08051	1.9
171.11728	1.4
173.06007	6.3
173.09648	1.0
173.13322	1.2
175.07608	4.4
175.11195	2.8
176.07097	1.0
177.07845	1.0
178.08723	3.0
181.06554	0.7
183.08069	1.3
183.14992	0.8
184.07404	3.6
185.09677	1.5
185.13258	1.2
187.07541	6.3
189.05328	0.8
189.09224	2.1
193.12268	7.4
195.08035	1.4
195.13794	1.0
197.09653	0.9
199.07625	2.2
201.09161	2.6
209.09744	1.0
211.13330	3.0
212.61285	0.7
213.09181	1.9
215.10797	1.5
223.11220	0.8
225.09085	1.7
225.12614	1.0
227.10643	0.9
235.11287	0.9
237.09036	0.7
237.12901	1.0
241.19609	0.8
257.15344	4.2
259.20639	1.6
267.13715	0.8
273.14938	0.7
274.18155	1.0
285.15002	3.3
302.17484	6.1
303.16122	1.7
309.84045	0.7
311.16595	2.3
320.18530	1.5
321.18985	0.9
329.17416	6.4
333.17563	0.9
333.24371	3.0
344.18671	0.9
346.20242	6.8
376.21225	2.1
402.22992	1.0
420.24008	4.0
429.08905	0.8
438.24799	1.2
515.60254	0.8
534.21930	0.8
582.29376	1.4
596.27795	0.7
652.42523	1.9
678.42908	2.3
679.42175	2.0
696.44733	88.8
697.45093	2.4
714.45996	1.1
738.45270	1.3
774.46619	0.9
822.48230	2.3
840.49329	5.3
858.49957	100.0
859.50159	2.8
876.50800	9.8
892.40143	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.2
67.05515	5.1
69.03431	3.8
69.07069	3.8
70.06597	1.5
70.71286	2.0
70.71666	2.0
71.05002	1.3
73.02916	1.4
73.06554	4.3
73.10162	0.9
79.05489	1.1
81.03421	8.4
81.07059	3.0
83.04991	0.9
84.08187	0.9
85.02914	6.9
89.06033	2.9
91.05486	2.8
94.06576	5.9
95.04963	2.6
95.08611	1.8
97.02895	3.8
99.04445	1.1
101.06041	2.2
105.07021	1.5
105.53815	0.8
107.04966	1.0
107.08596	1.5
108.08128	7.8
109.02899	4.7
109.06502	1.1
119.08590	1.5
120.08106	4.3
122.06042	18.4
124.07618	2.1
127.03948	3.8
133.08571	1.8
134.06018	3.0
136.07578	9.5
137.05994	3.6
140.07037	5.7
144.08075	1.0
146.06036	5.9
146.09683	1.0
148.07558	7.7
151.07495	1.2
152.07074	2.4
154.08621	1.0
162.09206	1.4
164.07057	2.8
165.09137	1.0
166.08673	3.9
167.07124	2.5
172.03964	2.1
172.07648	1.7
174.05545	4.5
174.09245	1.2
176.07188	2.1
181.08620	1.2
190.04976	2.0
192.10152	1.1
198.09192	2.1
199.06036	1.3
204.06551	3.9
206.08220	1.9
208.09859	1.8
209.10893	1.5
210.09207	1.2
210.11420	1.8
211.08636	1.7
211.12375	3.3
213.10258	2.5
214.08786	1.4
221.10904	1.8
222.11334	1.8
223.08722	5.8
223.12230	4.6
224.09326	1.0
224.13084	2.8
225.10249	20.9
225.13861	3.1
226.08775	1.2
226.11014	3.1
227.08183	1.0
227.11812	7.1
227.37697	0.9
235.08534	5.4
235.12346	3.3
236.09273	5.9
236.13057	1.2
237.10239	14.3
237.13780	8.4
238.10939	12.0
239.08122	1.3
239.11781	22.7
240.12520	7.7
241.09857	2.8
241.13309	4.4
243.11348	6.6
247.12337	1.8
248.09521	3.8
248.13028	1.2
249.10211	16.2
249.12869	1.1
249.13916	1.9
250.11018	20.7
251.08128	5.2
251.11810	57.6
252.12564	10.9
253.09729	4.9
253.13388	16.6
254.14168	3.0
255.11288	1.9
261.10138	1.0
262.11011	2.2
263.08881	1.2
263.11816	36.3
264.08997	4.0
264.12598	9.0
265.09802	15.6
265.13388	66.5
266.10605	7.9
266.13947	6.9
267.11328	9.1
267.14938	8.4
268.12106	3.3
269.12827	2.3
271.10846	1.1
275.11758	2.8
276.10025	1.5
276.12683	1.9
277.09723	8.5
277.13358	4.6
278.10443	9.9
278.14191	1.2
279.11295	42.8
280.12042	9.1
281.09698	1.4
281.12860	13.0
282.13870	1.3
283.10815	10.3
283.14182	1.8
284.11670	1.5
285.12357	11.2
289.13403	1.7
291.11279	12.4
292.12009	4.8
293.09518	1.7
293.12827	32.2
293.16116	1.8
294.13672	3.8
295.10861	3.6
295.14432	12.3
296.11588	4.6
297.12378	13.7
297.15613	1.3
298.13187	3.7
299.14081	8.1
300.14743	2.3
301.13196	1.2
304.12140	1.4
305.09482	1.3
305.12790	2.1
307.10852	3.2
308.11569	1.6
309.12341	19.1
310.13031	7.3
311.13916	41.4
312.14526	2.7
313.12177	1.5
313.15475	6.5
317.12955	1.1
319.10709	6.7
320.11450	2.6
321.12311	18.5
323.13947	5.8
324.14740	1.1
325.11920	2.1
325.15494	2.4
326.12610	1.1
331.14359	1.1
333.12396	2.2
335.13943	2.3
337.11606	6.2
338.12650	3.5
339.13480	10.9
340.14291	1.3
341.15216	4.2
344.13898	2.4
345.14627	1.9
351.13391	6.2
352.14359	2.5
353.14990	15.8
354.15857	2.0
355.12888	1.5
355.16641	4.8
356.13684	1.1
357.14551	3.2
358.15677	2.7
359.16565	1.4
360.16943	1.4
369.14560	9.9
370.15308	3.3
371.16061	23.9
372.17023	3.8
375.13376	1.2
379.12961	1.8
381.14401	3.6
383.16104	3.9
386.18765	3.1
393.14227	1.5
394.15186	1.4
395.16086	3.1
396.16980	2.0
398.14868	1.9
399.15619	1.8
400.16574	3.7
401.16742	1.2
403.16113	1.1
407.15952	1.7
409.17810	1.7
411.15436	8.0
412.16309	1.8
413.17096	13.0
414.18237	5.9
415.18741	1.6
416.20279	4.5
417.14383	1.4
419.16220	1.6
421.17957	1.5
423.15552	2.8
424.16092	1.6
425.17117	0.9
427.19119	1.1
430.17612	1.4
431.18329	1.6
432.19205	4.7
434.20953	1.7
435.15424	6.2
437.17059	8.5
439.14334	1.9
439.32162	1.2
440.15903	2.7
441.16635	4.7
442.17697	5.9
444.19366	1.5
446.14673	1.3
447.16101	2.8
453.16754	7.4
454.17560	3.1
455.18124	13.5
457.19901	1.3
458.16644	1.3
459.17554	2.7
460.18762	4.9
462.20020	1.1
463.14648	4.4
464.15677	1.1
465.16510	10.9
467.18118	2.9
471.17856	4.9
472.17953	1.1
473.19128	7.8
474.20364	8.5
479.18250	2.4
480.21210	3.1
481.16129	10.4
482.16705	5.1
483.17615	13.4
492.21515	8.2
494.22629	2.2
495.17291	6.1
496.18842	1.2
497.19412	9.6
498.19016	1.1
499.16986	4.7
501.18832	6.2
502.19678	1.4
513.18726	22.8
514.19586	2.1
515.20276	32.9
522.20844	1.3
531.20428	1.3
533.21246	1.6
534.22418	16.9
540.21344	3.8
542.22937	3.6
558.21716	4.4
560.23663	1.6
564.23383	1.1
568.20728	5.2
571.22595	3.3
573.24463	3.2
576.23132	2.8
583.25446	3.4
586.21783	24.7
588.23511	7.8
594.24475	3.6
600.23450	53.4
601.25079	5.8
602.24701	3.9
603.25232	5.5
604.22968	20.1
605.27039	11.4
606.24744	8.8
615.27826	3.5
618.24524	64.7
619.25378	8.7
620.26105	10.1
622.23718	5.9
624.25452	2.5
636.25568	100.0
637.25946	5.0
638.26831	4.3
643.27704	1.6
654.26575	11.7
655.27155	3.1
656.28174	2.1
675.30188	5.2
681.29425	1.3
690.30341	1.9
691.27356	2.4
694.29712	35.8
709.28729	16.7
712.30829	7.5
723.30261	24.5
726.32355	27.0
727.29675	8.8
741.31360	35.1
741.44525	1.8
742.31714	1.9
743.29004	2.6
744.33124	2.8
745.31097	6.2
759.32281	11.7
777.33490	13.2
817.36047	1.3
835.36005	4.0
867.42706	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	867.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	5.4
69.03416	3.8
69.07063	3.3
70.06582	1.2
70.21338	3.0
70.21697	1.8
73.02928	2.3
73.06555	6.1
79.05488	1.4
81.02990	1.4
81.03410	7.4
81.07058	1.5
84.75875	1.2
85.02895	7.9
91.05457	1.7
94.06570	6.5
95.08553	1.3
97.02859	2.4
101.06023	2.0
102.17121	1.3
108.08103	7.4
109.02863	4.4
120.08100	3.4
122.06032	20.5
124.07532	2.1
127.03902	4.0
133.08615	1.2
134.06007	4.2
136.07599	11.3
137.05954	1.9
140.07028	4.8
146.05978	4.4
146.09677	1.5
148.07591	11.3
150.09174	1.7
152.07059	2.2
160.07610	2.0
164.07062	2.8
166.08646	4.2
172.03871	1.4
174.05505	5.4
174.09055	2.1
181.08604	1.7
190.05002	2.1
192.06557	1.6
202.20735	1.3
204.06577	2.9
208.09714	2.3
209.10739	2.0
210.09299	1.3
210.11461	2.0
211.08603	1.5
211.12274	3.3
213.10187	2.7
222.11389	2.6
223.08571	7.5
223.12233	4.4
224.10870	1.9
224.12975	2.9
225.10233	20.9
225.13789	5.1
226.08815	1.3
226.11005	5.0
227.11748	6.3
233.10609	2.2
235.08630	8.9
235.12335	3.1
236.09412	5.2
236.13036	1.6
237.10217	14.1
237.13847	7.7
238.10962	13.8
239.11775	23.6
240.12543	7.4
241.09644	1.4
241.13350	4.5
247.12311	2.2
248.09525	4.3
248.13023	1.5
249.07820	2.4
249.10168	18.7
250.10988	20.2
251.08231	5.8
251.11807	69.6
252.12526	13.6
253.09659	6.6
253.13365	23.4
254.14188	3.5
255.11172	1.6
262.11032	3.5
263.08389	1.6
263.11816	36.3
264.09247	2.4
264.12555	10.6
265.09760	11.9
265.13358	76.7
266.10577	8.1
266.14023	7.6
267.11371	10.3
267.14758	9.5
268.12021	4.7
269.12814	2.2
271.13800	1.4
275.11676	2.9
276.12512	2.2
277.09705	7.2
277.13269	6.1
278.10306	9.6
279.11288	49.8
279.14362	1.8
280.12085	10.4
281.12875	14.6
282.13614	2.7
283.10742	8.6
283.14297	2.5
284.11398	1.8
285.12244	3.8
287.14120	1.4
291.11331	12.9
291.14560	2.1
292.12009	6.9
293.09622	2.1
293.12802	38.8
294.13510	5.7
295.10788	4.3
295.14401	15.1
296.11600	4.8
297.12344	14.7
298.13095	3.8
299.13843	8.2
300.14847	1.2
301.12894	1.5
303.11142	2.8
305.08994	1.3
305.12720	2.7
307.10727	4.3
307.14124	1.4
308.11292	1.5
309.12329	19.9
310.13013	8.9
311.13925	52.9
312.14655	2.6
313.15436	8.8
319.10770	5.5
319.14249	2.5
320.11423	1.8
321.12354	21.6
322.13092	2.0
323.10406	1.8
323.13943	5.6
324.14795	1.9
325.11890	1.9
325.15408	3.2
333.12402	2.1
333.16269	1.2
337.11899	7.1
338.12418	3.8
339.13379	18.3
340.13986	2.4
341.15067	4.6
344.14096	1.7
351.13370	6.2
352.14005	2.9
353.14960	21.1
355.16510	6.7
356.14160	1.6
357.14685	2.7
358.15338	2.9
359.16525	1.5
367.16339	1.6
369.14471	14.2
370.14853	2.0
371.16086	28.8
372.17001	4.4
379.12622	1.8
381.14267	5.1
382.15143	1.8
383.15918	3.6
385.17523	1.6
386.18594	3.4
393.14578	2.0
395.15973	3.0
396.17062	1.5
399.15704	1.7
400.16437	3.3
402.18030	1.6
407.16107	2.9
411.15405	4.8
413.17148	8.8
414.17889	5.7
415.18472	1.9
416.19659	4.6
419.15915	1.7
423.15552	3.2
425.16986	2.3
427.18619	2.6
432.13925	1.3
432.18954	6.4
433.19617	1.5
435.15759	6.4
436.16061	1.6
437.17148	14.4
439.18985	1.6
440.15750	2.4
441.16171	6.0
442.17276	6.6
447.15286	4.7
453.16434	7.4
455.18140	16.9
456.19388	1.3
457.19669	3.4
458.17352	1.4
459.17401	1.5
460.18546	5.5
462.19803	3.9
463.15106	5.9
465.16629	18.0
467.18182	2.3
469.15707	1.5
471.17545	3.4
473.19232	9.3
474.20190	7.9
477.16931	1.5
479.18130	2.8
480.20987	3.9
481.16208	11.2
482.16748	5.2
483.17657	25.7
484.17728	1.6
485.19052	2.0
492.21313	8.5
494.23102	6.7
495.17609	5.0
496.18469	2.4
497.19208	26.5
499.16656	2.4
501.18835	12.1
502.19574	2.3
513.18726	17.9
514.19299	5.1
515.20264	60.8
516.20886	2.6
533.21515	2.0
534.22333	16.9
540.21222	3.6
542.22565	3.3
555.23364	2.0
558.21942	4.6
560.23901	1.6
568.20898	7.4
570.21210	1.8
571.22668	2.9
573.24182	6.8
576.23529	2.3
583.25146	3.9
586.21808	28.0
588.23151	11.4
594.24298	4.4
600.23444	52.4
601.24677	7.2
602.24622	2.5
603.25214	6.7
604.22852	17.7
605.27191	34.2
606.24451	12.1
615.27887	4.8
618.24445	63.5
619.25262	11.6
620.25879	12.8
622.23700	6.3
624.24933	3.7
636.25525	100.0
637.26331	8.4
638.26642	5.2
643.26642	1.8
654.26886	18.6
655.27094	4.2
656.27734	4.1
675.30328	5.9
681.28986	3.0
691.26642	3.1
694.29620	38.4
695.28607	1.9
708.31030	2.0
709.28601	18.8
712.30164	4.4
723.30341	21.1
726.32520	25.1
727.29810	11.9
741.19104	2.3
741.31299	35.8
745.30841	8.9
759.32428	13.1
777.33307	13.1
835.36737	2.0
867.42053	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	1.3
62.30841	1.2
65.03938	1.9
67.05508	7.7
69.03059	1.1
69.03433	6.2
69.07078	1.8
70.06596	6.1
71.04985	4.1
71.55382	1.9
71.55817	2.6
72.08161	1.5
73.02917	1.7
79.05486	3.1
81.03428	6.7
81.07074	3.5
83.08606	3.5
84.08131	1.4
85.02917	7.6
85.12595	1.4
86.09705	2.1
91.05480	2.8
93.07034	2.0
94.06580	6.6
94.08204	1.4
95.05010	2.0
95.08602	2.9
97.02876	3.9
99.04446	2.0
107.08627	1.5
108.08115	5.9
109.02887	4.9
109.10154	1.5
116.73095	1.4
119.08545	1.8
120.04480	2.4
120.08121	3.9
122.06029	18.7
124.07649	2.0
127.03932	4.1
134.06032	4.2
136.07582	11.1
137.06004	3.3
138.09201	2.7
146.06010	4.1
146.09659	1.6
148.07568	9.2
150.09213	2.0
152.06944	1.5
158.19299	1.5
159.29608	1.3
160.07613	2.5
162.09195	1.5
164.07111	3.0
166.08675	3.2
167.07022	1.6
169.01033	1.4
172.03899	1.7
172.07651	1.7
174.05516	3.8
174.09145	2.0
198.09349	1.3
199.08687	2.9
200.06937	1.7
202.08696	1.4
204.06538	2.8
206.08163	2.6
209.10849	1.9
209.53479	1.6
210.09204	1.6
211.12355	2.5
213.10251	3.3
221.10760	1.8
222.11546	2.2
223.08720	6.2
223.12387	5.8
224.13139	3.0
224.42865	1.6
225.10243	20.6
225.13763	3.4
226.10934	3.0
227.08275	2.2
227.11769	9.0
235.08629	7.6
235.12334	3.7
236.09503	5.8
236.13112	2.1
237.10214	18.9
237.13750	7.0
238.10985	12.2
239.08138	2.2
239.11835	22.8
240.12602	7.3
241.09784	2.6
241.13469	3.3
247.12389	1.9
248.09505	5.8
249.10236	17.9
250.10985	22.3
251.08070	7.4
251.11800	63.3
252.08795	1.9
252.12561	11.6
253.09778	6.0
253.13368	19.0
254.14182	2.2
255.11104	2.9
262.11005	3.1
263.11777	33.9
264.08881	3.0
264.12427	7.8
265.09814	16.0
265.13379	69.7
266.10632	9.8
266.13721	7.2
267.11340	9.8
267.14691	7.4
268.12064	2.5
269.12854	3.8
275.11713	3.4
276.12756	2.0
277.09763	7.5
277.13367	5.4
278.10394	10.4
279.11301	39.0
280.11993	9.4
281.12912	12.3
283.10831	10.5
283.13940	2.5
284.11658	2.0
285.12445	4.3
289.13287	1.8
290.10727	1.7
291.11240	14.5
291.14130	2.2
292.12109	3.7
293.12811	30.9
293.16043	1.8
294.13550	5.3
295.10754	4.3
295.14392	12.3
296.11554	5.2
297.12302	16.3
298.13235	4.5
299.13922	7.8
303.11365	2.1
305.09216	2.5
305.12854	2.0
307.10806	3.2
309.12335	20.0
310.13040	5.5
311.10245	2.2
311.13889	44.8
313.15497	5.8
319.10651	8.5
320.11636	1.8
321.12408	21.6
323.13821	5.3
324.14969	1.7
325.11954	2.6
325.15521	1.5
330.15912	1.8
335.13947	1.7
337.11890	6.7
338.12561	2.1
338.16360	1.6
339.13431	15.6
341.15015	4.6
342.16193	1.9
344.13861	3.9
344.17685	1.9
351.13345	7.9
352.14163	2.5
353.15024	19.6
355.16388	2.0
356.14130	2.2
357.14813	2.6
358.15588	4.1
360.17200	1.5
369.14496	14.6
370.15314	2.5
371.16135	18.7
372.16928	4.2
373.17609	2.0
374.18536	2.9
381.14450	4.2
383.15848	3.3
384.17441	1.6
386.18677	6.0
395.16183	2.9
396.17276	2.1
400.16483	4.9
405.14389	2.4
407.16092	2.0
411.15479	5.3
412.16537	1.8
413.17111	9.5
414.18048	8.2
416.19608	5.0
419.16165	3.2
425.17014	2.0
432.19162	5.3
435.15628	4.1
437.17163	9.1
440.15985	2.2
441.16580	2.8
442.17609	5.7
443.18390	2.7
446.20590	2.0
447.15988	2.0
453.16379	5.9
455.18253	12.5
456.19315	1.8
459.17706	2.3
460.18661	4.8
463.14908	5.7
464.21701	3.0
465.16534	10.8
471.18121	2.6
473.19287	5.6
474.20334	13.7
478.23715	2.0
479.18076	2.1
481.16068	9.6
482.16675	4.2
483.17719	14.0
492.20972	6.5
495.17902	6.8
497.19199	14.8
499.16626	2.2
501.18680	3.9
502.19666	2.2
513.18774	24.3
514.19690	2.2
515.20300	31.1
530.22510	1.6
534.22394	16.4
540.21436	4.3
542.22742	2.8
558.22577	7.0
560.23889	2.5
568.20691	8.6
572.23792	4.5
576.23193	6.0
585.25696	4.2
586.21637	21.9
587.22083	3.7
588.23108	1.8
589.23767	3.0
590.25043	8.1
594.24585	3.9
599.28680	4.4
600.23364	66.5
601.23425	2.1
603.25494	4.5
604.22760	15.1
618.24487	65.3
619.24451	7.2
620.25659	4.6
621.26556	9.4
636.25488	100.0
637.25189	2.1
638.27734	1.8
654.26654	6.8
659.30420	4.1
675.28589	3.4
692.27960	2.9
693.29199	9.4
707.30750	30.7
710.29138	57.4
711.30121	12.6
725.31873	32.5
726.32294	16.0
729.30560	3.2
742.31946	26.5
743.32465	14.1
761.33649	12.2
777.32410	2.2
835.36554	3.0
867.40210	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	864.6255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98479	0.5
69.07072	1.4
71.08636	38.9
72.08990	0.5
73.02919	1.9
73.06551	5.4
83.08626	1.0
85.10188	32.2
87.03930	0.9
87.04472	21.5
89.06035	100.0
91.05460	0.8
91.07584	1.2
95.04974	0.5
95.08620	0.6
97.10200	1.2
99.11745	4.5
103.07586	6.2
107.07069	2.3
113.06001	1.5
113.13292	1.8
115.07584	0.9
117.09129	6.0
130.08662	3.3
131.07050	7.7
133.08611	75.2
136.06174	0.7
155.17943	2.8
161.11748	2.4
175.09680	7.2
177.11232	33.4
179.12924	0.5
184.07343	1.2
201.11311	0.5
213.22179	3.5
219.12318	3.1
221.13860	6.7
223.15225	0.6
239.15009	0.8
241.64488	0.6
243.44659	0.5
257.24768	5.7
263.15012	0.6
265.16501	1.9
267.17944	0.6
273.11395	0.7
283.17535	2.8
304.94931	0.5
309.19077	1.7
327.19995	1.5
353.21664	1.3
371.22772	0.9
397.23868	0.5
441.26804	0.5
459.28168	0.7
591.35370	1.2
635.38556	4.0
675.41467	1.3
708.39813	0.7
847.58966	1.4
864.48529	6.1
864.62073	6.3
865.48401	0.8
899.60168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02897	0.8
67.05506	1.9
69.03426	2.1
69.07069	5.3
69.54896	6.1
70.06585	1.4
71.05002	0.9
73.02902	1.0
73.06563	2.0
76.18742	0.8
79.05495	1.1
81.03400	5.6
81.07046	4.1
83.08635	1.2
84.08167	1.1
85.02910	4.1
86.09687	1.3
89.06007	1.2
91.05477	2.3
93.07061	1.5
94.06573	6.8
95.04977	2.0
95.08604	3.0
97.02892	2.4
98.21451	0.9
98.46801	0.9
101.06030	2.0
105.07038	2.1
107.08558	0.8
108.08109	2.8
109.02863	2.7
109.06441	0.8
112.07581	1.0
117.88860	0.9
118.06550	1.0
119.08600	1.0
121.05280	0.9
122.06022	19.4
122.09602	0.8
124.07615	1.2
127.03934	2.8
133.08611	0.8
133.10130	0.9
134.06020	2.3
136.07603	1.1
137.05951	1.6
138.05550	1.2
140.07069	22.2
144.04469	2.0
146.06006	13.2
148.07553	5.6
150.09116	0.8
158.09607	1.0
160.07599	0.9
162.05536	2.4
163.21288	0.8
167.07191	1.3
172.03943	13.6
172.07532	1.2
173.04742	1.2
174.05507	15.0
176.07094	4.6
177.05406	1.2
178.08655	1.6
181.08736	0.9
182.09735	1.1
184.07397	1.1
184.09923	1.0
185.08412	0.8
186.09180	1.7
190.04977	5.0
190.08521	1.0
192.06563	2.2
195.09126	1.3
197.10760	2.6
199.08705	1.1
199.12294	5.7
200.06903	0.9
204.06563	23.7
206.08128	6.7
209.10797	1.8
210.09180	1.4
211.08603	4.0
211.12291	1.0
212.09279	4.1
213.10275	1.7
215.11853	1.8
216.10330	1.3
223.12271	1.2
225.10240	8.6
226.10963	1.9
227.11798	51.3
235.08722	1.0
236.09430	1.3
237.10295	4.0
238.11086	3.4
239.11774	6.7
240.12627	1.8
241.13339	4.1
245.13034	0.8
247.12637	0.9
249.10217	3.5
250.11020	1.8
251.08080	1.0
251.11789	6.4
252.12468	1.0
253.09756	4.2
253.13336	1.2
255.06567	1.8
255.11302	2.7
261.12570	1.7
263.08176	2.6
263.11667	1.1
264.08975	2.0
265.09729	5.6
265.13220	1.8
267.11255	5.7
269.12845	15.9
271.10745	5.8
277.09723	3.4
279.11252	5.4
280.12164	1.3
281.12717	0.9
283.10709	2.5
284.11630	1.2
285.12283	7.6
286.13086	1.6
287.13898	6.7
291.11099	1.8
293.12820	1.2
295.10757	3.2
296.11386	1.2
297.12280	6.5
299.13934	3.8
300.12054	1.4
301.12228	1.8
302.13409	1.0
305.09506	1.2
307.10635	0.9
309.12338	1.0
311.14166	1.6
312.15076	1.7
313.07074	1.6
313.11917	10.3
314.13019	3.5
315.13773	3.1
316.11227	1.0
316.14569	4.5
317.09982	1.1
317.15317	1.2
325.11880	1.8
325.15604	0.8
326.16324	1.3
327.14032	1.8
328.14496	5.1
329.11652	1.6
329.15067	15.0
330.12308	2.6
330.16019	8.2
331.12915	2.4
331.16827	6.6
332.17526	2.8
335.13962	1.6
339.13544	3.6
340.14575	1.7
341.12228	2.4
342.12363	6.7
342.15988	2.9
343.13144	5.2
343.16879	1.5
344.13922	4.6
344.17606	8.3
345.14462	13.1
352.14481	1.8
353.15381	1.0
354.12463	2.5
354.16025	2.6
355.13623	2.9
356.13910	7.3
356.17792	2.0
357.14960	4.9
358.15469	14.8
359.16418	1.2
360.16959	1.6
365.11554	1.0
366.16168	1.5
367.13062	1.7
368.13870	1.2
368.17804	1.1
369.14667	2.2
370.11649	2.0
370.15543	6.0
370.19672	1.4
371.16263	6.0
372.17139	8.8
373.17981	2.0
374.18875	1.6
377.14862	2.3
380.14059	1.5
381.14532	1.8
382.11475	5.2
382.15598	2.3
383.12485	4.3
384.13254	17.6
384.16986	1.6
385.14120	3.5
386.14542	6.1
386.18802	3.1
388.16470	1.4
390.18112	1.5
392.19507	1.6
394.15463	1.4
395.16089	15.6
396.17078	2.9
397.13861	1.4
398.14999	30.1
399.15778	29.0
400.16571	40.4
402.14264	1.3
406.16180	1.1
410.14832	1.3
411.15549	2.4
412.16614	4.2
413.11618	1.7
413.17087	33.2
414.18390	6.4
415.19250	1.2
416.15659	1.6
417.16861	1.8
418.17529	4.7
422.14828	1.4
423.15811	1.4
429.16589	1.1
430.17685	3.6
431.12970	1.3
431.18246	22.1
432.18896	3.5
440.16068	5.1
441.16577	3.2
442.17499	2.5
458.16843	6.0
459.17804	2.4
460.18436	3.7
468.15930	0.9
474.20084	1.1
476.18170	1.3
496.18332	1.2
498.20065	1.8
500.18027	2.7
516.21442	1.8
521.25067	9.8
526.19745	1.7
530.22443	1.3
534.22247	2.9
535.22156	1.2
538.19458	1.3
539.22882	1.6
540.21277	1.8
544.20618	1.2
557.23438	1.1
558.22327	2.1
560.20386	3.2
561.20660	2.3
562.21454	2.8
566.19049	2.9
572.19757	1.0
581.23926	1.6
584.20221	4.7
585.20184	1.8
586.22046	1.5
599.25092	2.7
602.21277	19.3
603.21899	8.4
604.14276	0.9
604.22943	5.0
614.18158	1.0
620.22321	1.1
634.23767	2.2
635.24756	1.0
641.25946	5.6
665.26227	1.4
673.29523	1.7
681.29224	4.7
689.26367	4.3
692.28119	16.1
693.28973	10.9
694.29254	1.8
699.30383	2.7
699.83557	1.1
701.27466	2.6
707.27106	29.0
708.26929	1.3
724.30933	1.5
725.28192	26.5
739.29993	4.3
743.29199	100.0
744.29333	3.7
757.30890	3.9
775.31775	18.0
797.34253	2.1
815.35022	7.9
833.36047	43.3
834.35876	1.9
865.38788	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	864.6255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	0.6
64.49640	0.7
67.05496	1.1
68.35808	0.6
69.07066	1.6
70.85700	1.4
71.08633	84.7
73.02921	2.1
73.06558	2.9
81.07054	1.2
83.08613	2.8
85.10183	81.1
87.04467	20.7
89.06033	100.0
91.07589	1.6
94.28866	0.7
95.08635	0.7
97.10183	1.4
99.11729	8.8
101.06033	1.1
101.09655	2.2
103.07584	1.7
107.07070	3.0
111.11745	1.2
111.98343	0.7
113.06012	1.4
117.09138	7.7
117.15482	0.7
129.09131	1.0
130.08658	3.3
131.07040	7.3
133.08604	82.3
135.10161	0.8
137.32690	0.7
141.16377	12.1
147.10190	0.7
161.11786	1.2
175.09636	6.7
177.11229	37.9
179.12939	0.7
181.19580	0.8
184.07362	0.9
199.20587	22.3
219.12300	2.4
221.13832	8.1
237.13419	0.8
239.14879	1.2
240.23242	1.7
257.24759	10.3
265.16513	2.9
283.17587	2.7
309.19156	2.4
327.20190	1.9
353.21756	1.4
371.22949	1.3
397.24271	1.1
415.25311	0.9
485.29990	0.9
507.12384	0.7
525.03351	0.7
547.34222	1.0
573.34143	0.9
591.36005	11.1
631.39075	2.3
649.39642	1.2
864.50995	1.9
864.63623	11.6
865.66211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	0.9
69.03439	1.4
69.07048	0.8
69.46304	4.5
70.06562	0.5
71.95263	1.7
79.05503	0.7
81.03406	3.5
81.07043	2.0
84.96037	17.0
85.02903	2.1
91.05481	1.8
95.05014	0.7
95.08623	1.2
97.02926	1.4
98.97588	94.8
102.97064	1.3
103.05442	0.8
105.07032	1.3
107.04967	0.7
107.08562	0.6
109.02882	2.2
109.10153	0.7
110.97575	23.6
111.08101	0.7
112.99137	5.4
116.98626	46.1
124.99100	7.1
126.97050	0.8
127.03918	2.2
128.98605	23.8
131.00171	4.9
131.04903	0.8
131.08511	0.7
134.99675	12.8
136.99150	0.7
137.05991	2.3
140.00198	4.1
140.98581	2.7
142.99054	0.9
143.00174	15.6
144.98088	1.4
145.02852	0.9
145.05049	0.6
146.99661	9.1
147.04445	0.7
147.08128	0.6
149.01247	1.1
151.03864	0.6
152.00183	1.3
152.98682	1.2
153.00723	0.9
155.00146	3.3
156.98149	0.9
157.07568	0.6
158.01259	1.7
158.99663	13.5
161.01227	11.5
161.02591	0.9
162.99135	1.6
166.01726	1.1
167.07082	1.9
170.01299	0.7
170.99666	10.8
173.01202	2.8
173.06041	0.6
174.99229	0.7
175.03888	0.8
177.00722	11.7
177.05519	2.7
179.02263	1.6
182.99643	3.8
185.01195	7.2
187.00705	0.5
188.01625	1.7
189.00740	8.8
191.02304	1.6
194.99712	1.4
195.01799	1.1
198.02066	0.9
200.02301	1.4
201.00696	16.1
203.02274	8.5
206.02518	4.2
207.01758	1.4
207.06577	0.9
213.00739	4.5
215.02284	0.8
219.01772	77.0
220.02080	0.6
221.05008	1.2
222.02026	1.1
223.02837	1.4
224.03596	17.7
225.00797	0.6
226.03908	1.1
231.01790	3.1
237.02832	100.0
238.03281	0.9
239.05905	6.7
240.03244	0.6
242.03314	2.2
242.04718	3.2
243.01723	5.3
247.02777	1.4
247.05127	1.0
253.03687	0.7
255.03862	4.7
255.06386	0.9
257.07053	1.8
260.04480	5.5
261.02795	11.4
262.05014	0.6
263.05988	3.8
265.03839	2.4
267.05240	0.8
268.08441	0.7
275.05878	0.7
279.03885	2.8
280.06216	2.1
281.06989	11.8
284.03629	5.4
285.02820	4.1
287.05713	0.8
293.07104	1.0
295.08676	0.8
299.05917	2.4
302.04663	5.9
303.03958	1.7
304.08701	1.1
305.06897	0.8
307.08536	1.1
314.04535	0.6
315.05463	2.4
317.07047	7.7
323.07932	1.3
329.07022	2.1
332.05664	1.8
333.06589	0.8
335.08099	2.5
340.08646	0.7
347.07993	7.0
350.06790	4.7
365.09109	22.5
368.07755	2.0
371.08105	3.7
374.06689	0.9
383.10150	58.8
384.10428	0.8
389.09067	2.3
406.11765	5.4
407.10144	39.1
408.09937	0.7
425.11212	81.9
426.11768	1.4
448.12830	9.3
449.11365	2.6
451.09323	50.3
467.12305	6.6
469.10211	3.6
492.11798	2.5
569.15082	1.3
571.19220	0.6
863.43091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	1.6
67.05508	2.2
68.99780	1.2
69.03432	13.1
69.03809	0.7
69.07071	30.5
69.32049	1.1
69.32465	3.4
70.06603	1.0
71.04996	2.1
71.08636	3.0
71.83363	0.4
73.02915	2.2
73.06551	1.1
76.11106	0.5
76.94148	0.5
79.05495	1.4
81.03419	16.7
81.07062	8.2
83.04980	3.0
83.08623	100.0
85.02909	26.5
87.00835	10.9
87.04467	6.9
89.06035	58.3
91.03953	0.8
91.05489	1.1
93.07073	1.4
95.04957	4.4
95.08616	3.8
97.02895	10.9
97.06548	1.2
97.10175	31.5
99.04459	5.1
101.06002	1.2
103.03918	0.9
103.07597	1.2
105.01871	6.9
105.07068	0.9
107.07099	1.4
107.08564	0.8
109.02885	16.5
109.06499	0.7
109.10125	1.1
111.04453	3.7
111.11762	1.5
113.06020	1.3
117.01865	1.3
117.09126	2.5
121.06529	1.6
125.05994	1.5
125.13259	0.6
127.03924	20.8
129.01874	2.1
130.08633	0.7
131.07053	3.1
131.10767	0.6
133.08609	48.1
137.13293	1.3
139.07533	0.6
143.14328	1.0
145.04971	3.7
146.98940	0.5
147.02943	0.7
147.10178	1.1
147.22173	0.5
149.05995	1.0
155.14334	3.6
157.15884	23.6
159.02922	4.1
163.77303	0.6
167.07083	1.9
171.02898	1.0
175.09685	3.6
175.16942	5.4
177.11227	23.1
185.08139	1.8
189.03992	1.4
191.12762	1.7
195.12357	0.6
199.16913	0.5
213.03951	3.8
215.20073	24.2
219.12308	1.3
221.13857	7.4
223.15384	0.9
231.04997	3.1
233.21202	1.5
239.14980	2.3
259.22736	0.7
265.16400	1.5
273.24240	12.6
283.17215	2.8
289.09238	2.9
307.17636	0.6
309.19211	3.7
327.20148	33.1
367.23288	10.0
369.19073	0.8
371.22958	2.3
385.24329	10.1
425.27515	4.4
441.15323	0.5
490.26657	0.6
534.19684	0.5
599.43713	18.2
701.67932	0.6
702.42285	0.5
864.51605	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	862.6463
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01820	1.1
67.23949	1.1
69.03445	1.2
69.07053	3.4
71.08634	100.0
71.56956	1.9
73.02910	1.2
83.08627	3.5
85.10184	80.8
87.04475	9.1
89.06032	47.3
97.10165	4.0
99.11729	15.6
99.71293	1.2
100.07640	1.4
101.09657	6.1
104.20003	1.3
113.13287	4.9
117.09145	24.9
130.08627	2.0
131.07007	3.1
133.07635	2.7
133.08604	35.3
155.17943	14.6
157.59660	1.4
175.09644	2.6
177.11235	17.2
181.79427	1.5
213.22134	33.9
214.12236	1.3
219.12289	2.1
220.18762	1.2
221.13895	4.0
235.64301	1.2
244.91859	1.4
254.24747	2.7
256.75986	1.4
271.26331	36.5
283.17551	1.5
459.27957	10.2
517.32227	1.9
522.12903	1.7
534.07843	1.7
790.77081	1.4
862.64520	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	861.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73034	0.2
61.02932	3.3
65.03947	0.4
67.05167	0.4
67.05511	5.5
69.03436	2.8
69.07074	4.9
69.19756	0.9
69.20182	0.9
70.21612	0.2
71.01382	0.3
71.04999	0.8
73.02924	2.7
73.62843	0.2
77.03955	0.2
79.05503	4.5
80.05846	0.3
81.03429	2.9
81.07065	5.5
82.07419	0.3
83.04976	0.6
83.08625	1.3
85.02917	3.1
85.06566	0.2
86.09668	0.2
87.04474	0.4
87.17304	0.2
87.92984	0.2
91.03987	1.9
91.05495	3.9
93.07055	3.9
94.07387	0.2
95.04978	1.0
95.08611	3.4
97.02904	3.2
97.06542	0.6
97.10188	0.9
99.04488	0.6
101.02383	1.2
103.03894	0.3
105.07047	2.4
106.07388	0.2
107.04985	0.5
107.08598	2.7
109.02905	0.6
109.06544	0.5
109.09562	0.2
109.10157	1.3
111.04466	0.3
111.08083	0.2
115.05450	0.4
117.07018	1.0
119.04965	0.3
119.08585	2.3
121.06592	0.3
121.10155	1.2
123.04462	0.4
123.08060	0.3
125.09664	0.7
127.03949	0.9
129.05542	0.3
129.07056	0.8
131.08594	0.9
133.10181	1.3
135.04436	0.2
135.08095	0.3
135.11734	0.8
136.06195	4.2
136.07178	0.3
137.05873	1.4
138.06366	0.3
143.08606	0.3
145.05112	0.2
145.06474	0.3
145.10155	0.7
147.04407	0.2
147.11736	0.8
149.05971	0.3
149.09718	0.5
149.13306	0.3
151.39894	0.2
152.05725	0.3
159.11754	0.6
161.05981	0.7
161.13266	0.4
163.11224	0.3
164.07130	0.3
171.11818	0.3
173.05952	0.4
177.07916	0.5
184.07416	0.3
185.04295	0.7
187.07573	0.4
189.09251	0.2
190.08725	0.3
193.12332	0.4
201.03828	0.3
203.05399	0.4
241.06923	0.4
243.08440	3.5
259.08008	0.2
301.09137	0.9
302.17734	0.8
303.18179	0.3
304.16504	0.3
313.09003	0.5
315.10635	0.5
320.18857	0.5
330.17825	0.2
333.20374	3.0
335.26120	0.7
336.26285	0.3
359.21933	0.3
373.23523	0.2
385.19012	0.3
389.23233	0.7
413.17871	0.5
439.19464	0.6
453.21124	0.7
465.21320	0.4
469.19885	0.3
551.28351	9.1
567.27924	0.2
623.30518	0.9
637.31665	0.3
654.43622	0.4
655.44122	1.0
681.45337	0.7
698.46411	0.9
699.46405	4.9
806.01282	0.2
817.49512	0.8
843.50653	2.3
861.49829	100.0
862.49786	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	859.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.3
65.03919	0.3
67.05502	5.1
68.05840	0.4
69.03439	2.6
69.07065	3.1
69.92473	0.2
71.00054	0.5
71.01340	0.3
71.04995	0.6
73.02924	2.8
79.05496	3.6
81.03413	1.7
81.07059	5.8
81.74468	0.2
83.04991	0.5
83.08627	1.4
85.02907	3.3
87.04477	0.5
91.03955	1.8
91.05476	3.8
93.07038	3.2
95.04974	1.0
95.08603	2.5
97.02902	3.5
97.06538	1.0
97.10167	1.1
98.42805	0.3
99.04471	0.4
99.08141	0.3
101.02394	1.4
105.07013	2.6
107.04980	0.8
107.08598	2.3
109.02887	0.9
109.06534	0.8
109.10154	1.9
111.08057	0.3
117.06997	0.6
119.08569	1.3
121.06541	0.5
121.10163	1.0
123.08028	0.4
123.11722	0.5
125.09643	0.8
127.03935	1.0
129.06946	0.3
131.08569	1.4
133.10115	1.7
133.47755	0.3
135.08087	0.3
135.11707	1.1
137.09573	0.4
143.08565	0.5
145.10126	0.8
147.11710	0.7
149.09625	0.3
149.13324	0.4
151.11194	0.5
159.11699	0.5
161.09621	0.3
161.13306	0.3
163.11168	0.3
165.12811	0.3
171.11618	0.3
177.12746	0.3
184.07323	0.4
185.04181	0.6
203.05217	0.5
221.11594	0.3
223.13263	0.6
243.08398	4.0
243.10751	0.4
259.08163	0.3
271.59192	0.2
273.20538	0.3
291.19678	0.9
301.09241	0.6
309.40469	0.3
331.18771	1.6
333.20398	1.6
335.25836	0.7
336.26221	0.3
344.22458	0.4
387.21408	0.6
389.23032	0.5
439.19556	1.2
453.21091	0.9
517.39465	0.4
549.26819	5.9
551.28241	5.4
570.71851	0.3
618.41711	0.3
679.43500	0.3
697.45172	1.1
859.48016	100.0
860.48431	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4809
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02932	3.5
61.11500	0.2
65.03948	0.3
67.05506	4.6
67.56353	0.3
69.03432	3.1
69.07072	4.5
69.44290	1.3
69.55086	0.2
71.01334	0.3
71.05004	0.8
73.02917	2.8
74.96101	0.2
77.48672	0.2
77.56424	0.2
79.05495	4.4
80.80254	0.2
81.03430	1.9
81.07059	5.5
82.07446	0.2
83.05000	0.8
83.08621	1.4
85.02912	3.6
85.63996	0.2
91.03956	1.8
91.05489	3.2
93.07047	3.5
95.04965	0.9
95.08617	2.2
95.98599	0.2
97.02894	3.7
97.06551	0.8
97.10180	1.5
99.04459	0.5
101.02385	1.3
103.03935	0.3
105.07044	2.2
107.04963	0.6
107.08601	2.3
109.02897	0.7
109.06510	0.5
109.10172	1.4
111.08125	0.3
117.07005	1.0
119.08548	1.2
121.06548	0.3
121.10175	0.9
123.08080	0.5
125.09627	1.2
127.03897	1.2
128.06219	0.2
131.08598	0.9
133.10152	1.0
135.08095	0.4
135.11751	0.9
137.06024	0.3
143.08530	0.4
145.04962	0.3
145.10185	0.7
147.11707	0.6
149.09612	0.4
157.10103	0.3
159.11746	0.5
163.11205	0.4
185.04276	0.7
189.11409	0.3
194.33289	0.2
195.13843	0.4
201.03767	0.3
203.05360	0.3
223.13348	1.0
241.06837	0.2
243.08418	4.1
269.17615	0.4
269.96558	0.2
275.20157	0.4
291.19504	1.9
301.09000	0.7
303.19125	0.3
313.09097	0.5
315.10596	0.4
331.18597	1.4
333.20331	1.5
335.25870	0.6
336.26120	0.3
355.13785	0.3
357.61679	0.3
369.15158	0.4
383.17041	0.4
387.12915	0.2
387.21649	0.4
389.23218	0.6
439.19580	0.8
439.44156	0.2
453.21210	0.8
469.20804	0.4
535.28540	0.2
540.35687	0.3
546.39435	0.3
549.26776	5.7
551.28290	6.0
551.36292	0.4
554.66895	0.2
621.28912	0.3
697.44647	1.2
747.39044	0.3
761.40863	0.4
790.86670	0.2
844.51208	0.2
859.48102	100.0
860.48572	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.433
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91940	1.0
61.02929	7.7
65.03953	1.8
67.05508	28.0
68.99784	4.2
69.03429	42.4
69.06724	1.8
69.07069	26.5
70.06596	2.5
71.01357	1.5
71.04996	6.9
71.08630	8.1
72.05305	0.9
72.08125	1.1
73.02924	7.6
79.05489	18.6
81.03421	46.0
81.07057	67.6
82.28128	0.9
83.04975	3.1
83.08617	18.9
83.84214	1.0
85.02905	88.7
85.06524	4.3
85.10164	3.3
86.76075	1.3
87.00829	39.0
91.03962	2.4
91.05479	13.7
93.06474	2.1
93.07047	41.4
95.04976	5.9
95.08608	68.4
97.02895	48.4
97.06538	3.2
97.10165	13.9
98.20718	2.5
98.97589	1.2
99.04453	19.7
99.08075	3.2
101.02379	1.5
103.03941	3.0
105.01869	37.5
105.07032	23.0
107.04935	1.7
107.08594	31.0
109.02880	63.9
109.06506	2.3
109.10159	48.5
111.04432	3.3
111.08095	2.7
111.11717	10.2
113.02354	1.3
115.03916	2.3
115.05457	1.6
117.01863	3.4
117.07005	2.3
119.07802	1.8
119.08583	20.3
121.06497	2.3
121.10141	30.4
123.04427	2.8
123.08035	2.8
123.11704	20.8
125.02324	1.5
125.13273	2.5
127.03918	100.0
127.11199	2.2
129.01826	5.0
129.12752	1.3
131.04913	1.2
131.08568	4.0
133.10127	26.7
135.11693	27.6
137.05989	2.8
137.09619	6.4
137.13252	9.8
139.03906	2.4
139.11180	1.2
139.14828	1.5
143.08542	2.8
145.04970	19.9
145.10115	4.1
147.02864	3.2
147.04369	1.8
147.11691	18.5
149.05904	1.6
149.13257	32.6
151.03905	3.0
151.11185	2.3
151.14824	6.1
152.09222	1.0
153.01836	1.5
155.08582	1.6
155.10674	2.0
157.10220	1.2
159.02892	14.6
159.11705	3.3
161.06032	1.5
161.09621	1.2
161.13260	10.8
163.03844	1.2
163.14825	15.9
165.05461	1.7
165.12737	4.9
165.16376	4.1
169.04970	3.6
169.10086	2.1
169.15921	1.1
171.02901	2.3
171.11674	1.9
173.04523	1.6
173.13246	2.8
175.03816	1.2
175.14799	9.8
177.16406	6.5
179.14304	1.9
179.17949	3.1
180.10359	0.9
181.04990	1.5
183.17426	1.1
185.13261	2.0
187.05983	4.5
187.14835	1.2
189.03992	9.4
189.05492	2.0
189.16405	6.8
191.17912	4.0
193.04935	2.3
203.18001	4.2
205.19528	1.1
209.18993	1.6
213.03952	20.8
215.10623	1.0
217.19423	6.8
221.08051	4.7
231.05006	29.0
247.24225	3.3
249.06117	8.8
255.04906	1.9
259.04428	1.1
261.25793	3.4
265.25339	2.9
267.26633	1.2
273.06046	16.1
273.25775	38.9
277.25327	1.2
279.26828	19.2
289.25104	2.1
291.26828	78.7
292.26987	1.2
297.06015	1.5
297.28040	6.1
302.17819	1.3
303.27051	1.8
309.27875	87.2
310.28421	1.1
315.07025	1.7
315.26895	1.8
317.05075	1.2
321.06149	1.6
327.28958	33.6
333.27835	1.5
339.07141	4.8
345.28210	1.0
357.08154	5.0
357.27649	1.4
369.27710	1.7
371.29547	1.3
381.28003	5.6
387.29059	2.1
399.28986	5.8
402.68289	1.0
417.29962	4.7
443.08023	1.8
461.09229	10.7
477.32910	1.8
479.10159	3.8
491.29935	2.1
495.33127	1.5
503.30112	7.4
509.31302	2.2
521.30981	13.8
527.32043	3.6
539.32166	15.1
557.33112	2.0
814.42816	1.4
858.42352	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	857.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.8
67.05509	7.2
69.03432	3.7
69.07069	2.9
70.86380	1.1
71.04951	0.9
73.02901	2.1
79.05495	4.4
81.03410	2.1
81.07062	7.0
83.04987	1.0
83.08607	1.7
85.02895	4.2
85.06528	0.6
89.06501	0.7
91.03949	2.1
91.05478	4.8
93.07047	4.0
95.04965	2.0
95.08598	2.8
97.02884	4.1
97.06532	0.7
97.10174	1.6
101.02375	1.4
104.63380	0.6
105.07034	3.4
106.06569	0.9
107.04974	1.1
107.08588	3.4
109.02827	0.6
109.06595	0.8
109.10139	3.6
111.08083	0.9
117.06999	1.3
118.06531	3.0
119.08582	1.5
121.06526	1.0
121.10110	1.3
123.08150	0.7
125.09610	1.4
127.03913	1.3
131.07326	0.7
131.08548	1.7
132.08099	1.4
133.10129	3.1
135.08064	0.8
135.11661	0.6
145.10135	1.1
146.09601	1.3
147.08014	0.9
151.11163	1.1
156.97560	0.7
160.11234	1.4
181.73973	0.5
184.07347	0.7
188.14351	1.2
202.15901	1.1
213.00078	2.5
216.17551	1.4
223.13335	1.6
243.08449	5.5
244.20601	1.8
245.20926	1.0
272.20108	13.5
273.20514	5.4
290.21082	2.6
291.19409	1.3
301.09128	0.7
317.17972	1.0
331.18726	3.4
346.23669	0.9
360.29001	15.7
361.29285	8.5
387.21301	1.4
400.31519	0.7
451.19543	0.7
505.24182	1.4
549.26703	12.7
578.36877	1.3
579.36865	1.9
694.53735	0.8
695.44116	0.7
856.44733	0.8
856.59485	10.6
857.45752	100.0
857.59851	26.6
858.46716	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02897	0.4
67.00201	0.2
67.05506	2.2
69.03432	1.0
69.07027	0.5
69.38114	0.2
71.08607	0.3
73.02924	1.0
79.05501	1.4
81.03398	0.4
81.07063	1.5
85.02913	1.0
91.03920	0.5
91.05434	0.9
93.07051	1.7
95.08573	0.9
97.02848	0.9
97.52780	0.2
101.02377	0.5
105.06989	0.7
106.06564	2.0
107.07290	0.3
107.08597	0.6
109.10145	0.4
117.05707	0.9
117.07005	0.3
118.06548	5.2
119.08575	0.3
121.10111	0.5
130.06525	1.1
131.07341	2.3
132.07181	0.3
132.08092	3.3
133.08835	0.3
133.10089	0.3
134.09612	0.7
144.08015	0.6
145.08865	0.4
145.10181	0.2
146.09654	3.9
147.11670	0.3
148.11148	0.2
158.09622	0.3
159.10376	0.2
160.11227	4.2
161.11943	0.3
162.12743	0.5
172.11198	0.8
174.12805	1.0
176.10725	0.3
177.15108	0.4
186.12781	0.2
187.13519	0.2
188.14375	2.6
190.15877	0.3
200.14255	0.3
202.15921	2.9
203.16730	0.4
216.15520	0.3
216.17477	4.0
230.19109	1.5
232.20544	0.3
244.20636	5.7
254.07234	0.2
258.22189	0.5
259.07388	0.2
260.20047	0.2
272.20108	37.8
273.20560	0.3
290.21167	7.2
293.20947	0.3
300.26514	0.3
330.24475	0.4
330.27960	1.1
335.25735	0.3
342.27829	0.2
346.23822	2.0
358.27725	0.2
360.28995	52.0
361.29309	0.9
364.24811	1.8
400.32175	0.8
416.31747	1.4
504.08188	0.3
578.36859	7.3
624.46393	0.6
694.53961	4.2
694.65686	0.3
856.59357	100.0
857.59753	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	857.466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.4
65.03952	0.5
66.49938	0.4
67.05508	6.2
69.03423	3.1
69.07068	5.2
70.55207	0.4
71.04973	0.8
71.40756	0.6
73.02922	3.6
79.05498	4.3
81.03426	2.5
81.07053	4.6
82.07393	0.6
83.04982	1.0
83.08205	0.4
83.08634	1.8
85.02907	4.6
89.85709	0.4
91.03972	2.1
91.05486	3.1
93.07039	3.4
95.04973	1.5
95.08598	1.9
97.02900	4.7
97.06536	0.7
97.10160	2.3
101.02380	1.2
105.07037	2.4
106.06589	0.7
107.04974	0.9
107.08599	2.9
109.02876	0.5
109.06545	0.5
109.10141	2.2
117.07025	0.5
118.06555	2.6
119.08602	1.9
121.06556	0.7
121.10121	0.7
125.09630	1.8
127.03911	0.7
129.07011	0.7
130.06516	0.4
131.07295	1.4
131.08588	1.4
132.08093	1.7
133.10158	0.7
135.08032	0.7
135.11726	0.5
141.41763	0.4
145.10181	0.8
146.09674	1.4
147.07991	0.7
147.11659	0.6
149.09560	0.4
149.13292	0.6
159.11780	0.6
160.11212	1.5
171.98820	0.4
184.07172	0.5
185.04247	0.4
188.14359	1.3
202.15927	1.9
203.05333	0.6
216.17546	1.3
217.17903	0.6
223.13318	3.0
230.19058	0.7
243.08432	4.3
244.20610	2.3
245.21025	0.9
272.20102	14.2
273.20596	5.3
290.21173	2.5
291.19241	3.1
301.08923	0.5
331.18851	2.6
335.25888	0.6
336.26337	0.5
360.28979	16.1
361.29300	9.0
387.21460	1.2
549.26721	11.3
560.36481	0.5
578.36639	1.7
579.37524	2.0
621.28809	0.6
694.54175	0.7
695.53735	0.6
856.59265	11.5
857.45819	100.0
857.59894	28.1
858.46930	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.3
65.03928	3.5
67.05507	88.0
69.03438	9.1
69.07070	49.0
69.39748	7.3
69.40145	2.5
71.01339	1.5
71.04987	6.4
73.02903	3.1
79.05495	81.3
81.03429	15.2
81.07059	100.0
82.07397	1.5
83.04984	14.4
83.08624	21.0
85.02912	5.7
85.06533	4.9
91.05482	68.4
93.07047	69.3
95.04958	13.3
95.08609	43.3
97.02890	7.2
97.06539	21.6
97.10173	21.3
99.04480	2.6
99.08081	4.0
103.05467	3.3
105.04515	3.0
105.07034	54.8
107.04962	13.0
107.08597	60.4
109.02869	3.2
109.06528	8.8
109.10162	21.9
111.04440	2.6
111.08104	7.3
115.05431	2.4
117.07013	24.4
119.08588	42.3
121.06510	7.4
121.10143	24.8
123.08096	6.2
123.11711	4.3
125.09634	14.3
126.00413	1.2
127.03951	3.9
128.06215	3.6
129.06989	10.4
130.07788	2.0
131.08569	29.4
133.06483	3.5
133.10136	37.4
135.08070	8.1
135.11696	21.2
137.05954	1.7
137.09645	4.0
139.11194	1.8
141.06969	3.5
142.07800	2.3
143.08569	9.5
145.04996	1.4
145.06503	2.2
145.10136	29.6
147.08107	2.6
147.11700	16.5
149.09615	19.8
149.13278	17.6
151.11209	5.3
153.09145	1.9
155.08568	4.3
157.10161	8.9
159.08047	2.7
159.11697	21.6
161.09688	2.0
161.13298	7.5
163.11169	13.6
163.14883	1.8
165.09099	1.5
165.12770	2.1
167.08682	1.4
169.10141	5.6
171.10349	2.2
171.11722	7.8
173.04501	2.6
173.11853	2.1
173.13260	8.5
175.11198	3.0
177.12788	6.9
179.14301	4.4
181.10101	2.8
181.12216	2.7
183.11707	7.1
185.13347	3.4
187.11234	2.0
187.14839	1.9
189.11212	10.8
189.12639	1.8
191.14386	1.9
195.12041	1.9
195.13837	6.7
197.13306	4.0
199.14909	2.5
201.12749	1.8
211.14854	2.0
213.16452	1.5
220.43037	1.3
227.12784	24.7
229.14359	4.9
229.19574	3.8
233.15382	3.1
239.17921	6.7
245.13867	2.8
245.19119	1.7
247.20601	4.3
251.16310	1.6
253.14319	2.4
255.15901	12.8
257.19028	12.5
259.20572	1.6
267.15915	3.4
269.17477	44.8
272.20151	3.0
273.18576	2.5
275.20074	61.6
276.20358	1.5
291.19650	2.1
293.21088	2.7
321.24536	1.8
331.22748	4.3
341.24774	1.3
349.23746	57.8
360.29062	4.0
365.23203	1.9
367.24915	7.7
409.26065	1.6
423.27377	4.8
423.32513	1.6
425.25104	2.2
431.27979	2.0
433.30475	2.1
435.27637	1.6
439.26810	3.4
445.29721	2.6
447.30890	1.8
449.29050	13.1
463.30554	16.9
503.33823	2.7
511.34351	2.1
519.33374	2.4
525.35522	6.6
527.37598	1.5
529.35114	11.6
543.36859	59.1
547.35822	2.1
561.37671	5.2
576.41150	1.4
583.39697	1.6
605.40802	1.5
623.42816	11.1
632.44745	1.6
641.43787	5.4
687.40887	1.8
692.89758	1.3
714.69110	1.4
794.49768	1.7
838.52319	1.5
856.57019	4.2
857.47021	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.0
65.03943	7.0
67.05506	99.2
69.03439	14.4
69.07071	67.0
69.07342	1.5
69.07452	2.7
69.81644	6.2
71.01379	1.8
71.04984	7.2
74.36004	1.5
77.03925	2.0
79.05496	98.9
81.03418	19.6
81.07060	100.0
83.04981	17.1
83.08621	31.3
85.02906	9.8
85.06542	5.6
86.09676	1.5
87.47741	1.6
91.03947	2.2
91.05484	82.1
93.07046	76.2
95.04983	16.1
95.08609	56.5
97.02895	8.9
97.06532	29.3
97.09538	2.5
97.10170	39.5
99.04455	2.0
99.08087	3.4
103.05471	4.1
105.04491	2.3
105.07034	80.0
107.04960	17.4
107.08598	76.0
109.02865	2.8
109.06525	10.3
109.10159	32.5
111.04452	2.6
111.08091	7.2
113.09639	2.5
115.05476	5.4
117.07018	27.8
119.08587	49.8
121.06522	7.6
121.10142	29.9
123.08093	6.6
123.11726	6.5
125.09633	34.7
127.03931	7.2
128.06203	3.3
129.05528	1.8
129.07005	15.2
130.07797	3.6
131.08580	38.8
133.06531	3.6
133.10136	43.8
135.08078	10.4
135.11707	20.7
137.05969	1.7
137.09645	5.9
139.11140	2.2
141.06999	7.7
142.07864	1.9
143.08563	12.2
145.06491	3.6
145.10133	32.4
147.08075	4.5
147.11687	25.1
147.45862	1.3
149.09625	31.3
149.10750	2.6
149.13252	12.7
151.11229	4.0
153.09090	3.3
155.08586	7.9
155.10689	2.2
156.09348	1.8
157.10139	13.8
159.08093	3.3
159.11691	24.6
161.09647	4.6
161.13237	12.5
163.11183	19.6
165.12769	2.9
167.08527	3.3
169.10161	8.9
171.10168	4.5
171.11707	10.8
173.04530	2.3
173.09641	3.0
173.11755	4.6
173.13295	12.9
175.11157	2.5
175.14792	1.8
177.12761	5.9
179.14265	7.4
181.10139	3.4
181.12250	4.6
183.10248	1.6
183.11700	7.4
185.13297	6.1
187.11220	3.8
187.13216	1.8
187.14825	4.0
189.11247	21.0
189.12836	1.9
191.14255	2.3
193.10139	1.4
193.12254	1.7
195.11685	3.8
195.13765	5.0
197.13313	5.7
199.14841	3.2
201.12830	2.2
205.12190	1.8
207.11884	1.5
209.13347	2.1
211.14841	3.0
213.12706	1.8
213.16510	2.5
215.14363	2.5
215.17915	1.9
224.59781	1.5
227.12776	56.8
227.17790	1.9
229.14372	10.2
229.19527	5.4
239.18013	9.4
241.10844	2.0
245.13666	7.0
247.20616	4.8
253.18073	4.5
254.60277	1.4
255.15790	6.6
257.18994	21.8
267.15887	3.0
269.17444	19.8
272.19995	2.2
273.18649	1.6
275.20065	94.6
276.20288	2.1
291.19635	2.4
293.21082	5.7
313.21579	1.8
323.23584	1.7
323.96390	1.4
331.22626	4.8
333.24426	1.5
341.67664	1.4
347.22235	1.4
349.23740	86.2
351.25522	1.8
360.29099	1.7
365.23038	2.0
367.24905	4.8
381.27725	1.6
389.18100	1.7
397.22675	2.3
399.23743	1.3
407.29007	1.4
409.25717	2.5
413.21823	2.0
423.27255	6.2
423.32483	2.0
425.25305	2.4
431.27924	2.8
433.30411	2.5
439.27057	3.4
445.29102	2.7
449.28824	3.4
463.30252	2.4
469.33099	1.7
487.34430	2.1
501.31396	1.7
503.33640	8.4
511.34183	2.3
519.33130	8.1
525.35852	6.6
527.37390	5.7
529.35455	14.4
543.36841	46.6
547.36639	1.7
561.37433	3.2
605.41644	2.0
623.43115	35.4
624.43604	1.8
641.43921	10.1
687.41211	1.6
856.59436	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.8
65.03937	3.8
67.05507	61.1
69.03073	1.1
69.03428	14.0
69.07071	39.6
71.01350	0.9
71.05018	4.4
73.02921	2.2
75.16980	0.8
76.67150	0.6
77.03921	1.0
79.05493	50.4
81.03427	11.9
81.07059	62.0
83.04979	11.7
83.08137	1.2
83.08620	15.0
85.02923	4.5
85.06554	4.1
87.04469	1.4
91.03949	0.9
91.04891	1.1
91.05484	45.3
93.07047	49.7
95.01299	1.0
95.04975	13.9
95.08611	26.2
97.02880	10.7
97.06538	13.4
97.10174	16.0
99.04476	1.8
99.08093	2.5
99.89317	0.8
100.11153	0.7
100.11875	0.6
101.02373	0.7
103.03957	0.8
103.05481	2.1
105.03361	1.1
105.04552	1.5
105.07034	37.3
106.38708	0.7
107.04961	15.5
107.08598	36.2
109.02871	1.8
109.06528	7.8
109.10160	19.4
111.04438	1.5
111.08087	4.6
113.06014	0.7
113.09697	1.1
115.05452	2.9
116.06231	1.3
117.07021	17.6
119.04942	1.3
119.08581	26.6
121.06510	8.2
121.10145	14.7
123.04428	1.2
123.08092	6.3
123.11710	3.0
125.09644	12.5
127.03925	2.0
127.07556	1.2
128.06194	1.7
129.05507	1.1
129.06996	6.8
130.07788	1.3
131.04932	1.0
131.08572	18.8
133.06494	5.3
133.10139	28.3
134.07326	1.5
135.08066	8.1
135.11713	10.9
137.09624	3.1
139.07536	0.8
139.11272	0.8
141.07004	1.5
142.07736	0.9
143.08554	5.5
145.06465	1.7
145.10132	13.4
147.08029	6.4
147.11673	9.7
149.09624	12.6
149.13254	9.0
151.11189	8.9
153.09059	1.4
155.08588	1.4
157.10162	5.8
159.08070	1.7
159.11700	12.0
161.09602	4.4
161.13226	3.9
162.10397	1.2
163.11198	8.5
165.09152	2.6
165.12743	1.3
167.08597	1.4
169.10124	3.1
169.12244	1.9
171.10255	1.7
171.11703	3.6
173.11845	1.5
173.13284	4.8
175.11159	3.8
177.09161	1.1
177.12752	4.4
179.10667	1.0
179.14336	2.1
181.10245	0.7
181.12146	1.1
183.11618	1.5
185.13271	2.4
187.11205	1.4
187.14844	1.3
189.11200	5.6
189.12720	1.5
191.10710	0.9
193.12158	1.3
195.12047	1.1
195.13805	5.1
197.13248	2.0
201.12912	0.9
203.14293	1.1
205.12256	3.4
209.13370	0.9
211.14857	0.9
213.16426	0.8
215.12822	1.7
223.13271	15.6
227.10760	1.3
227.12782	12.0
229.14323	2.5
229.19534	2.3
233.15349	1.2
239.17882	2.2
245.13843	1.0
245.19067	3.1
247.20540	2.0
249.14857	2.9
251.16425	1.3
253.14336	18.1
253.16818	1.4
255.15733	6.5
257.19040	6.1
263.20209	1.7
267.15897	1.7
269.14444	1.3
269.17471	25.8
271.15295	1.0
273.18500	19.7
275.20090	26.2
283.15515	0.8
291.19540	100.0
292.19910	1.3
293.21060	1.6
309.20770	2.2
310.57541	0.8
331.22693	2.1
347.22086	6.1
349.23740	19.1
358.27194	0.9
365.23236	50.8
366.23309	1.1
367.24869	2.8
423.23563	1.2
431.28122	0.9
438.22952	1.0
439.26993	0.8
440.54596	0.8
461.28793	1.4
465.60413	0.8
479.29874	0.9
519.33575	5.1
520.29938	1.1
527.33856	2.5
535.32562	1.1
541.34833	4.2
543.36505	1.2
545.34747	18.4
559.36292	68.0
560.36505	1.5
575.22498	1.0
611.42438	1.0
621.41217	3.4
639.42596	23.3
640.41791	1.0
657.43469	4.5
661.34735	1.0
668.47711	1.0
703.40564	1.7
854.45367	16.8
854.58698	1.4
855.56171	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	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32798	0.6
61.02905	2.0
65.03930	2.6
67.05508	46.0
69.03085	0.8
69.03432	11.4
69.07072	37.9
71.01328	0.6
73.02892	0.9
79.05497	43.1
81.02979	0.8
81.03424	11.4
81.07060	47.7
83.04991	9.5
83.08137	1.0
83.08620	15.9
83.31735	0.5
85.02899	3.4
85.06526	2.2
86.46732	0.5
91.03933	1.0
91.05483	36.5
93.07048	37.5
94.04173	0.6
95.01326	1.6
95.04977	10.6
95.08611	23.4
97.02897	10.6
97.06541	12.1
97.10172	17.2
98.20719	1.5
99.08099	1.8
103.05457	1.3
105.03329	0.7
105.04500	1.2
105.07035	27.7
107.04964	12.1
107.08596	30.0
109.02930	1.2
109.06531	5.8
109.10155	14.3
111.04432	1.6
111.08096	4.3
113.09692	1.0
115.05444	1.7
116.06213	1.2
117.07027	14.0
119.04937	1.7
119.08582	21.0
120.05758	0.9
121.06528	4.8
121.10146	11.7
123.04396	0.8
123.08075	5.3
123.11702	2.6
125.08765	0.8
125.09638	14.1
127.03906	1.8
128.06219	2.1
129.05513	0.7
129.07008	6.0
130.07776	1.4
131.04999	0.7
131.08583	16.6
133.06503	4.2
133.10135	16.5
134.07303	0.8
135.08061	5.8
135.11702	8.2
137.09579	3.4
139.11159	0.7
141.06984	1.3
142.07800	0.8
143.08566	6.1
145.04930	0.8
145.06516	1.7
145.09029	1.0
145.10126	13.0
147.08069	5.5
147.11685	8.2
149.09634	9.4
149.13251	6.2
151.11172	2.6
153.09157	1.4
155.08536	2.3
157.10139	4.7
159.08144	0.9
159.11688	8.9
159.12880	1.0
161.09621	4.2
161.13235	3.2
162.10405	0.8
163.11180	6.9
165.09105	1.7
165.12785	0.7
169.10117	2.7
171.10156	1.7
171.11688	4.3
171.99300	0.6
173.04483	0.8
173.09656	1.3
173.11871	0.9
173.13252	3.4
175.11139	3.0
175.14613	0.7
177.12740	4.1
179.14317	1.5
181.10086	0.8
182.93489	0.7
183.11688	1.9
185.09747	0.9
185.13277	2.0
187.11195	1.7
187.14877	1.2
189.11229	7.9
189.12726	1.2
193.12280	1.1
195.11963	1.0
195.13800	3.6
197.13300	1.9
199.11229	0.7
199.14806	0.7
203.14227	0.7
205.12233	3.0
207.13776	0.9
209.87601	0.6
211.15018	0.7
213.16554	0.6
215.14311	0.8
219.13811	0.8
223.13287	18.6
227.12781	18.1
227.18013	0.8
229.14395	1.4
229.19476	1.6
237.16356	0.7
239.17969	1.6
245.13783	0.9
245.19051	2.3
247.20625	1.7
249.14798	3.5
253.14293	1.9
253.17993	0.8
255.15619	4.0
257.18964	7.8
267.15759	2.8
269.17474	12.9
273.18497	15.4
275.20081	24.5
276.20673	0.7
289.17987	1.0
291.19553	100.0
292.19815	1.6
293.21127	2.3
309.20624	0.8
321.24353	0.6
325.32773	0.7
331.22647	2.5
347.22287	2.4
349.23752	26.2
358.27417	1.1
362.89636	0.7
365.23260	47.3
366.23795	0.6
367.24799	0.9
413.21759	1.2
447.27420	1.2
461.28833	2.6
517.31934	1.4
519.33008	3.3
523.84668	0.6
535.32385	3.0
541.35297	2.6
543.36841	2.5
545.34796	12.8
559.36316	43.8
571.36932	0.7
599.39209	1.0
621.41351	1.2
639.42621	34.9
657.43451	4.0
679.36261	0.8
703.40308	1.3
854.45013	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	853.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	7.4
64.20747	0.4
67.05504	6.0
68.49638	0.3
69.03431	4.3
69.07079	1.5
71.01360	0.9
71.05003	0.9
71.08630	0.4
71.56480	0.3
73.02921	4.9
75.04477	0.4
79.05497	2.2
81.03417	1.9
81.07059	4.5
83.04987	0.8
83.08608	0.6
85.02903	7.5
87.04492	0.5
89.06066	0.6
91.03955	4.8
91.05500	2.3
93.07064	2.7
95.04987	1.0
95.05595	0.3
95.08609	2.8
97.02897	7.4
97.06541	0.4
99.04477	1.0
101.02385	2.2
105.07019	1.2
107.08614	1.8
109.02921	0.8
109.10150	4.0
109.10700	0.3
115.03947	0.5
117.07057	0.5
118.47169	0.3
119.08591	1.4
121.10170	1.1
127.03905	3.0
131.08589	0.5
133.10139	0.8
135.11711	0.6
145.04970	0.8
145.10150	1.0
147.11705	0.6
149.09569	0.3
159.11707	0.4
173.11768	1.1
185.04312	1.5
195.10023	1.1
203.05283	0.7
229.14423	0.6
234.76349	0.4
243.08427	1.9
251.12627	0.8
275.07806	0.4
291.19623	1.0
329.53571	0.4
335.25912	1.1
347.09317	2.5
363.08984	0.7
365.10605	1.9
405.13712	7.7
405.18637	0.7
413.17825	6.2
438.22992	0.5
519.29370	7.3
533.76776	0.4
575.23169	5.5
681.34473	7.0
691.39691	2.0
853.45551	100.0
854.45581	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	854.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	1.6
67.05500	0.6
69.03444	1.5
69.07062	0.6
70.06605	1.2
71.01351	0.3
71.08642	0.5
71.21095	0.5
72.81287	0.3
73.02918	1.4
79.05485	0.5
81.03422	1.0
81.07088	0.9
82.48577	0.3
85.02903	2.4
86.09735	0.3
91.03952	0.8
91.05505	1.3
91.42387	0.3
93.07065	0.5
95.08622	0.9
97.02922	1.5
97.06563	0.4
97.18245	0.2
99.04446	0.3
101.02413	0.6
105.07032	0.5
107.07365	0.4
107.08648	0.3
109.02928	0.3
109.10191	0.5
118.06496	2.0
119.04983	0.3
119.08591	0.5
120.08105	0.4
121.10170	0.3
127.03955	0.4
130.06520	1.5
131.07320	0.8
132.08090	1.8
133.10185	0.3
134.16130	0.3
137.06033	1.1
144.08168	1.0
146.09639	2.5
152.08896	0.3
158.09697	0.5
160.11307	0.7
164.07091	0.4
167.07068	0.3
177.15120	0.5
184.07445	0.4
188.14352	1.9
189.09232	0.5
200.14305	0.7
202.15910	3.0
202.17358	0.3
203.16716	0.4
214.15921	0.4
216.17473	3.7
228.17635	1.0
230.19170	0.8
242.19083	0.3
244.20804	0.6
256.17072	0.9
258.18512	0.5
258.22220	0.5
270.18619	0.4
272.20279	0.6
272.23859	0.6
286.25320	0.3
312.26944	0.7
314.28394	0.3
324.26779	2.1
340.26398	4.6
344.25980	0.7
356.25833	1.5
358.27319	1.6
368.25842	16.5
369.26398	0.3
386.26865	8.8
386.31833	0.5
396.28564	0.3
404.27863	1.4
442.29526	2.7
444.34967	2.9
456.34958	0.8
460.30658	4.4
474.35883	11.0
475.36331	0.3
484.38461	0.3
514.39063	1.3
530.38409	6.9
534.18231	0.4
692.43689	10.6
781.87982	0.3
811.46472	0.6
818.04364	0.3
854.48920	100.0
855.49030	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	853.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	5.8
67.05508	4.6
69.03430	3.4
69.07069	0.9
71.01340	0.7
71.05007	0.7
71.14941	0.4
71.55099	0.6
71.77615	0.4
73.02921	4.1
79.05496	3.1
80.81348	0.4
81.03436	1.7
81.07075	3.6
83.08624	0.5
85.02905	6.8
87.04486	0.7
89.06034	0.6
91.03962	4.8
91.05468	2.0
91.90833	0.4
93.07037	2.5
95.04993	0.9
95.08614	2.7
97.02900	7.0
97.10172	0.4
99.04486	1.4
101.02398	1.8
103.03951	0.5
105.07056	1.4
107.04982	0.5
107.08612	1.3
109.02912	0.9
109.06504	0.5
109.10148	3.4
115.03959	0.9
117.07066	0.5
119.08600	1.1
121.10193	1.2
127.03938	1.9
131.08566	0.8
133.10207	0.6
135.11642	0.7
136.54904	0.4
145.10187	0.6
163.11238	0.5
173.11789	1.1
173.13164	0.5
195.09991	0.9
229.14517	0.8
243.08351	2.1
275.20087	0.6
291.19772	0.6
335.25894	0.7
347.09558	2.5
348.33081	0.5
363.09167	0.5
365.10779	1.3
405.13724	6.2
413.17825	5.7
519.29205	6.5
575.23224	5.2
628.18219	0.5
656.42859	0.5
681.34564	6.8
682.32953	0.5
691.40234	1.9
713.98486	0.5
853.45557	100.0
854.46252	3.8
879.89227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	5.3
67.38388	1.0
68.93335	1.0
69.03418	4.7
69.07056	2.9
70.80733	1.9
70.81047	1.4
78.69839	1.0
79.05466	2.4
81.03416	8.0
82.56245	1.4
85.02914	6.3
87.04473	1.8
91.05478	2.9
93.07039	2.6
94.06572	6.0
95.04955	2.1
97.02877	3.2
99.04456	1.6
102.21266	1.0
102.40680	1.1
106.02921	1.1
107.04967	1.6
108.08110	8.4
109.02885	4.8
118.06568	1.5
120.04439	1.5
120.08128	4.3
122.06034	22.2
124.03963	1.3
125.93546	1.0
127.03913	4.0
130.06523	1.0
131.08501	1.2
134.06032	6.0
136.07593	9.0
137.06021	2.6
140.07047	5.0
145.05006	1.1
145.06544	1.1
146.06029	3.8
146.09593	1.4
148.07567	9.0
150.09114	2.1
152.07074	2.7
160.07536	2.3
164.07071	4.6
166.08644	3.6
167.07089	1.9
174.05479	3.7
174.09167	1.5
176.07060	2.0
177.05420	1.5
180.06511	1.4
180.52647	1.2
189.62994	1.3
190.04959	1.6
200.07027	1.4
204.06653	2.0
206.08105	1.5
209.10725	2.8
210.09193	1.6
210.11337	1.3
211.08768	2.3
211.12326	3.3
213.10272	3.0
221.10800	1.4
222.11424	2.3
223.08650	9.3
223.12245	6.0
224.09311	1.3
224.12953	2.3
225.10246	24.2
225.13654	5.6
226.11061	4.2
227.08066	1.6
227.11800	7.4
232.09764	1.6
235.08696	8.3
235.12338	4.4
236.09373	6.1
236.13026	2.7
237.10236	20.9
237.13771	7.5
238.10954	13.1
239.11803	23.1
240.12570	6.7
241.09763	2.3
241.13358	4.8
244.97453	1.3
247.12419	1.9
248.09206	8.4
248.13101	1.6
249.10234	18.3
249.12859	1.6
249.13759	1.8
250.11008	25.3
251.08203	7.0
251.11806	71.5
252.12627	13.6
253.09798	5.8
253.13399	23.2
254.14146	3.3
255.14845	1.5
261.10150	1.4
262.11029	3.8
263.08936	2.5
263.11823	42.5
264.08942	3.1
264.12595	10.2
265.09775	16.0
265.13354	75.4
266.10620	8.5
266.13913	7.3
267.11398	10.3
267.14856	9.2
268.12030	4.4
269.12863	3.1
271.10544	1.3
275.11884	4.3
276.12708	2.3
277.09738	10.0
277.13348	5.9
278.10394	11.3
279.08377	2.6
279.11304	43.5
279.14334	1.5
280.12067	10.4
281.12885	13.9
283.10748	8.6
283.14117	2.5
284.11673	1.4
285.12305	4.1
289.13336	2.1
291.11331	13.8
291.14615	2.1
292.12006	4.9
293.09610	1.7
293.12836	37.1
294.13669	4.8
295.10815	5.4
295.14420	13.9
296.11539	6.0
297.12292	13.0
298.13123	6.2
299.14069	7.7
300.14755	2.1
303.11108	1.6
305.09216	1.6
305.12741	2.3
307.10812	3.2
307.14401	2.3
309.12332	16.5
310.12994	4.6
311.13913	50.5
312.14273	3.5
313.15555	8.6
319.10748	7.1
319.14182	1.8
320.11554	3.5
321.12302	18.5
323.13824	7.5
324.14636	1.5
325.11880	2.0
325.15408	1.5
327.14108	1.7
335.13797	1.4
336.10983	1.2
337.11899	7.3
337.15323	1.5
338.12433	3.6
339.13434	13.5
340.12985	1.6
341.14932	4.0
342.15826	1.3
344.13934	3.5
344.17776	1.4
351.13385	8.8
352.13147	2.7
353.15002	18.1
355.16510	5.1
357.14587	3.5
358.15677	1.4
359.16446	2.0
365.15128	2.0
367.12857	1.4
369.14462	13.9
370.15329	3.6
371.16074	25.5
372.16925	4.0
373.17377	1.5
377.14664	1.5
381.14368	3.7
383.16098	2.5
385.17850	1.5
386.19003	5.3
387.16077	2.2
393.14337	1.4
395.15833	3.6
400.16406	2.1
401.15158	1.3
403.16464	1.5
407.15717	1.3
411.15707	5.7
413.17252	10.8
414.18304	7.6
416.19577	5.1
418.17676	1.7
419.15958	2.6
423.15485	2.2
425.16913	1.9
426.17978	1.4
427.18689	1.7
430.17816	1.5
432.19083	6.4
435.15494	5.3
437.17297	11.1
439.19037	2.5
440.15900	2.0
441.16574	4.9
442.17560	5.1
447.15417	3.5
453.16571	8.4
454.17352	2.4
455.18140	16.4
456.18503	1.5
459.17798	2.4
460.18588	6.6
462.19650	1.9
463.14905	6.1
464.15948	2.2
465.16608	14.9
467.18228	4.0
471.17700	4.1
473.19193	8.5
474.20450	10.5
479.18359	2.9
480.21191	3.2
481.16006	10.1
482.16797	3.2
483.17685	15.8
490.19580	1.6
492.21252	8.3
494.22705	3.8
495.17606	6.5
496.18390	1.3
497.19302	14.7
499.17065	3.3
501.19165	5.3
513.18677	24.8
514.19464	4.7
515.20239	33.5
516.20667	1.6
534.22382	18.1
540.21075	5.8
542.22424	3.5
557.21149	2.1
558.22217	7.7
559.22894	3.6
560.23846	2.4
568.21204	6.6
570.22125	2.1
576.23303	4.5
582.22040	2.1
583.25519	2.4
586.21881	28.3
588.23315	8.5
589.23932	9.7
591.25519	17.4
594.24414	3.8
600.23444	59.8
601.24683	4.0
602.25031	3.6
604.22949	19.5
606.24768	10.2
615.28241	2.2
618.24500	79.4
619.25146	10.8
620.25940	12.0
624.25372	1.8
636.25598	100.0
637.27094	6.3
638.26691	3.9
643.27228	2.0
654.26825	6.9
655.27271	3.6
656.27740	2.5
675.30188	5.9
680.28113	48.3
681.28772	4.3
691.27136	3.9
698.28613	1.8
709.28497	15.9
712.30756	43.0
713.30273	1.8
723.30298	24.3
727.30048	9.7
741.31232	34.7
745.30804	4.4
759.32263	10.0
777.33325	9.6
821.34955	1.6
853.43781	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	0.7
65.03931	1.1
67.05508	18.3
69.03431	8.3
69.07073	24.5
71.04985	1.2
79.05500	18.2
79.05966	1.1
81.03423	5.2
81.07063	17.4
83.04973	2.3
83.08207	0.7
83.08625	7.0
85.02905	1.0
85.06557	0.5
91.04901	0.5
91.05483	13.8
93.07047	13.8
94.04144	0.7
95.01250	0.5
95.04971	5.9
95.08612	7.8
97.02897	8.9
97.06553	3.6
97.10175	10.1
105.03379	1.0
105.04545	0.6
105.07029	11.2
107.04967	6.0
107.08599	10.1
109.02854	0.6
109.06496	2.0
109.10175	5.8
111.04465	0.7
111.08090	1.8
115.05428	1.3
116.06219	0.5
117.07034	7.1
117.95661	0.5
119.04908	1.3
119.08586	9.1
119.16901	0.4
121.06518	3.4
121.10140	4.7
123.04412	0.7
123.08092	2.4
123.11678	0.5
125.09623	9.2
128.06232	1.1
129.07031	3.1
130.07759	0.5
131.04962	0.6
131.08583	6.6
133.06516	2.6
133.10147	3.9
134.07256	1.4
135.08063	3.3
135.11702	1.6
137.09612	2.4
137.27792	0.5
141.06960	0.6
142.07735	0.6
143.08559	2.8
145.06448	1.3
145.10132	5.3
146.05615	0.5
147.08066	6.0
147.11697	3.1
149.09613	1.5
149.13251	1.5
153.09088	1.0
155.08585	0.6
157.06383	0.6
157.10158	3.6
159.08035	0.8
159.11708	2.2
161.09628	2.0
161.13264	0.8
162.10384	0.6
163.11198	1.2
165.09146	1.5
166.53589	0.5
169.12242	0.8
171.07881	0.5
171.11713	1.3
173.09618	0.7
173.11746	0.5
173.13301	0.7
175.11188	2.1
177.02859	0.5
177.12749	1.7
183.11650	0.6
185.13248	1.0
187.11133	0.6
189.11256	3.2
193.12263	1.1
195.13782	1.1
205.12251	1.9
213.12837	0.6
221.11806	0.5
223.13313	16.4
227.12840	4.8
227.17894	0.6
229.26711	0.5
229.28790	0.5
245.13818	0.6
245.19014	1.3
249.14796	3.9
255.17415	1.0
263.16504	0.5
263.19897	0.9
267.15829	1.3
273.18506	14.3
291.19553	100.0
292.19601	1.3
309.20502	0.5
347.22150	2.4
357.74811	0.6
365.23245	48.2
366.23584	1.0
385.31503	0.5
535.32758	1.1
557.34802	1.6
575.35522	1.5
637.41290	3.3
655.42072	49.0
656.42102	1.5
700.76373	0.5
782.93066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	2.7
67.05479	8.8
69.03408	6.9
69.07049	3.6
70.06573	10.9
71.55495	5.8
72.08134	3.0
73.02913	3.1
73.06541	4.3
79.05463	3.1
81.03401	8.2
81.07041	5.4
83.08630	3.2
85.02885	12.2
86.09700	5.1
91.05475	7.3
94.06544	5.6
95.04967	3.5
95.08571	3.3
97.02900	7.4
105.06973	5.1
108.08115	3.4
109.02878	4.5
111.04337	3.6
120.08072	3.3
121.10135	3.5
122.06057	13.8
127.03915	7.2
133.10138	4.9
134.05972	4.1
136.07552	9.7
137.06009	4.3
143.08488	2.9
145.10112	3.4
148.07553	7.6
164.07004	4.3
166.08580	4.1
174.05449	4.0
178.08586	3.0
183.23077	3.3
211.12315	4.2
223.08632	6.9
224.13049	5.7
225.10265	17.7
225.13828	3.4
226.11011	3.6
227.11836	4.6
237.10262	16.0
237.13895	4.4
238.10992	11.6
239.11809	22.7
240.12660	4.8
241.09709	3.0
241.13341	5.1
248.09431	5.2
248.12973	3.8
249.10188	11.3
250.10939	22.7
251.08043	6.5
251.11804	52.0
252.12549	9.4
253.09531	4.1
253.13341	19.7
263.08670	3.4
263.09091	4.1
263.11810	29.9
264.12579	6.9
265.09702	16.0
265.13354	54.6
266.10434	4.0
266.14117	6.4
267.11218	11.8
267.14850	7.2
268.11951	3.6
277.09705	6.5
277.13235	5.7
278.10574	9.4
279.11273	29.1
280.12064	4.0
281.12866	10.1
283.10687	9.6
291.11282	8.8
293.12823	33.0
294.13550	4.6
295.11020	7.5
295.14410	15.6
296.11432	6.8
297.12207	12.0
299.14035	6.9
305.12772	3.8
307.10721	4.5
309.12405	16.0
310.12918	7.4
311.13870	43.9
312.14474	3.3
313.15405	6.8
314.10333	3.2
319.10733	7.2
320.11316	3.5
321.12354	17.6
323.13821	7.3
337.11829	4.4
339.13431	13.6
341.15002	4.7
351.13339	6.8
353.14966	16.4
355.16434	6.6
357.14771	5.1
369.14609	15.6
371.16074	21.3
372.17261	4.0
386.19077	3.2
411.15210	3.5
413.17169	9.1
414.17923	7.6
416.19827	4.8
432.19299	5.7
435.15158	7.0
437.16898	8.2
442.17480	5.3
443.17960	3.4
453.16464	5.1
455.18164	13.2
460.18390	4.6
463.15039	7.9
465.16434	11.1
471.17282	4.0
473.19138	10.3
474.20096	11.9
481.15967	7.6
483.17844	15.8
492.21323	6.0
495.17719	6.6
497.18970	11.4
501.18448	9.2
513.18555	22.6
515.20105	29.9
533.21313	3.5
534.22168	18.1
540.21198	6.5
555.22791	3.6
568.20752	6.5
572.23022	4.9
576.23083	5.4
585.25928	5.8
586.21808	30.9
590.24353	13.1
594.24426	6.2
600.23401	67.6
603.25275	11.6
604.22729	19.5
605.27368	14.4
608.25659	3.8
618.24420	63.9
636.25452	100.0
654.26422	14.0
659.30566	6.0
675.27863	5.1
693.28583	12.4
694.29681	37.0
707.30847	30.7
711.29645	10.4
725.31763	24.0
726.32404	21.6
743.31958	9.4
761.32947	9.3
851.46332	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	851.407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	2.7
67.05479	8.8
69.03408	6.9
69.07049	3.6
70.06573	10.9
71.55495	5.8
72.08134	3.0
73.02913	3.1
73.06541	4.3
79.05463	3.1
81.03401	8.2
81.07041	5.4
83.08630	3.2
85.02885	12.2
86.09700	5.1
91.05475	7.3
94.06544	5.6
95.04967	3.5
95.08571	3.3
97.02900	7.4
105.06973	5.1
108.08115	3.4
109.02878	4.5
111.04337	3.6
120.08072	3.3
121.10135	3.5
122.06057	13.8
127.03915	7.2
133.10138	4.9
134.05972	4.1
136.07552	9.7
137.06009	4.3
143.08488	2.9
145.10112	3.4
148.07553	7.6
164.07004	4.3
166.08580	4.1
174.05449	4.0
178.08586	3.0
183.23077	3.3
211.12315	4.2
223.08632	6.9
224.13049	5.7
225.10265	17.7
225.13828	3.4
226.11011	3.6
227.11836	4.6
237.10262	16.0
237.13895	4.4
238.10992	11.6
239.11809	22.7
240.12660	4.8
241.09709	3.0
241.13341	5.1
248.09431	5.2
248.12973	3.8
249.10188	11.3
250.10939	22.7
251.08043	6.5
251.11804	52.0
252.12549	9.4
253.09531	4.1
253.13341	19.7
263.08670	3.4
263.09091	4.1
263.11810	29.9
264.12579	6.9
265.09702	16.0
265.13354	54.6
266.10434	4.0
266.14117	6.4
267.11218	11.8
267.14850	7.2
268.11951	3.6
277.09705	6.5
277.13235	5.7
278.10574	9.4
279.11273	29.1
280.12064	4.0
281.12866	10.1
283.10687	9.6
291.11282	8.8
293.12823	33.0
294.13550	4.6
295.11020	7.5
295.14410	15.6
296.11432	6.8
297.12207	12.0
299.14035	6.9
305.12772	3.8
307.10721	4.5
309.12405	16.0
310.12918	7.4
311.13870	43.9
312.14474	3.3
313.15405	6.8
314.10333	3.2
319.10733	7.2
320.11316	3.5
321.12354	17.6
323.13821	7.3
337.11829	4.4
339.13431	13.6
341.15002	4.7
351.13339	6.8
353.14966	16.4
355.16434	6.6
357.14771	5.1
369.14609	15.6
371.16074	21.3
372.17261	4.0
386.19077	3.2
411.15210	3.5
413.17169	9.1
414.17923	7.6
416.19827	4.8
432.19299	5.7
435.15158	7.0
437.16898	8.2
442.17480	5.3
443.17960	3.4
453.16464	5.1
455.18164	13.2
460.18390	4.6
463.15039	7.9
465.16434	11.1
471.17282	4.0
473.19138	10.3
474.20096	11.9
481.15967	7.6
483.17844	15.8
492.21323	6.0
495.17719	6.6
497.18970	11.4
501.18448	9.2
513.18555	22.6
515.20105	29.9
533.21313	3.5
534.22168	18.1
540.21198	6.5
555.22791	3.6
568.20752	6.5
572.23022	4.9
576.23083	5.4
585.25928	5.8
586.21808	30.9
590.24353	13.1
594.24426	6.2
600.23401	67.6
603.25275	11.6
604.22729	19.5
605.27368	14.4
608.25659	3.8
618.24420	63.9
636.25452	100.0
654.26422	14.0
659.30566	6.0
675.27863	5.1
693.28583	12.4
694.29681	37.0
707.30847	30.7
711.29645	10.4
725.31763	24.0
726.32404	21.6
743.31958	9.4
761.32947	9.3
851.46332	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	851.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	1.5
64.07787	0.9
65.03958	1.5
67.05509	6.1
68.99766	1.1
69.03409	3.7
69.07076	9.2
70.06580	1.8
71.04985	3.1
75.91428	1.2
79.05495	3.2
80.05020	1.1
81.03427	7.8
81.07062	7.6
83.08607	3.0
85.02907	4.5
85.06552	1.4
87.04455	1.8
89.06033	4.8
91.05477	3.0
93.07034	3.0
94.06573	8.3
95.04981	2.5
95.08599	7.5
96.08893	1.0
97.02917	2.9
97.07080	1.1
102.43711	1.1
105.07034	1.5
106.06511	1.1
107.08572	1.4
108.08138	5.8
108.41037	1.0
109.02885	4.2
109.10166	2.1
110.09689	1.8
116.05020	1.3
118.06543	1.1
119.08572	1.9
120.08117	3.3
121.05215	1.3
121.10135	1.3
122.06049	21.9
122.09621	1.1
126.89919	1.0
127.03905	3.1
131.04976	1.0
133.08626	2.5
134.05977	1.8
136.07599	2.3
137.05972	2.1
137.13208	1.0
138.09128	2.6
140.07072	19.5
144.04454	3.2
146.06024	13.1
148.07568	6.5
155.14275	3.0
158.09602	1.4
160.07578	1.4
162.05540	2.3
164.07129	1.3
166.08640	3.6
167.07080	2.8
168.08128	1.4
172.03944	15.4
172.07689	1.6
173.04790	2.2
174.05540	16.5
176.07121	7.7
182.09753	2.2
184.07555	1.3
186.09198	1.5
190.04950	5.2
190.08755	1.2
191.05737	1.8
192.06563	2.0
197.10786	3.0
199.08575	1.2
199.12276	7.2
204.04716	1.6
204.06596	23.1
206.08125	7.4
209.10744	2.0
210.09166	2.7
211.08653	5.1
211.12338	1.8
212.09438	3.6
213.10254	3.0
215.11768	1.2
216.10155	1.4
221.10751	1.2
223.08684	2.2
223.12392	1.4
224.09215	1.5
225.10262	13.3
226.11002	3.7
227.11809	56.3
228.06606	1.4
237.10141	6.0
238.10991	3.3
239.08119	2.1
239.11813	10.0
240.10153	1.2
240.12524	2.1
241.13235	5.0
243.11414	2.3
244.09636	2.4
248.09393	1.3
249.10228	4.4
250.11057	2.1
251.08253	1.4
251.11865	6.4
252.12607	1.2
253.09656	6.7
253.13461	3.0
255.11305	2.6
261.12463	2.6
263.08188	4.4
263.11847	2.7
265.09760	10.6
265.13327	4.6
266.10538	2.2
267.11264	7.9
269.12906	16.8
271.10773	7.4
271.22702	1.1
277.09717	3.5
278.10333	1.3
279.11258	8.3
281.12830	4.4
283.10812	4.8
283.14221	1.1
285.12369	8.7
287.13953	8.9
291.11151	1.6
293.12787	2.8
295.10849	1.2
296.11594	1.4
297.12338	6.6
298.13269	1.5
299.13885	7.9
300.11862	1.2
300.15012	1.8
301.12115	3.0
301.15646	1.6
302.13181	1.8
305.09103	1.5
307.10620	1.2
309.12460	1.6
311.10574	1.1
311.14035	3.2
312.15021	1.3
313.11835	12.5
314.12924	4.2
315.13910	4.3
316.14340	7.2
317.15359	2.0
321.12335	2.6
326.13214	1.3
326.16684	1.8
327.13596	4.2
327.17209	1.4
328.10959	1.8
328.14468	7.2
329.11664	1.6
329.15131	14.9
330.12332	4.2
330.16022	8.8
331.12866	3.1
331.16742	6.3
332.17596	4.2
337.11877	1.7
339.13620	3.4
340.14319	3.4
341.15115	4.3
342.12357	9.0
342.16089	5.2
343.13080	5.8
343.16766	1.9
344.13797	4.1
344.17596	9.6
345.14453	15.3
345.18317	1.8
346.19278	2.1
351.13651	1.5
352.14084	1.2
353.15372	1.8
354.12259	2.4
354.16144	2.9
355.13431	3.1
356.13971	8.3
356.17746	2.6
357.14661	6.3
358.15527	17.8
359.16354	1.7
360.16953	1.8
363.15930	1.5
367.13031	2.4
368.13931	2.9
368.17844	2.2
369.14575	4.1
370.11697	2.6
370.15472	9.2
371.16379	5.9
372.13040	1.7
372.17145	13.8
373.17926	2.2
374.18744	1.9
377.15070	2.2
380.14114	2.4
381.14536	2.9
382.11426	7.2
382.15982	2.1
383.12424	5.0
384.13361	20.1
384.16733	1.5
385.14105	4.2
386.14539	7.4
386.18829	3.1
388.16486	1.6
389.17014	1.7
390.18204	2.9
392.19525	1.5
394.15375	2.2
395.16202	13.7
396.17093	3.1
398.15002	34.8
399.15817	33.1
400.16574	44.8
401.16934	3.0
411.15582	1.8
412.16663	6.3
413.17139	34.1
414.18268	7.5
416.15509	1.4
417.17072	1.4
418.17450	4.7
422.14996	1.8
423.15622	1.4
424.16663	1.2
429.16635	1.8
430.17615	4.6
431.18253	21.3
432.19171	4.8
440.16382	6.3
441.16870	2.8
442.17468	2.5
453.16339	1.7
458.17136	6.9
460.18646	4.1
474.19870	1.3
488.21677	1.4
498.20389	1.4
500.18225	3.6
507.23276	9.3
515.20013	1.4
516.21167	3.8
526.19861	2.8
534.22180	3.8
538.20471	1.3
539.22156	1.2
540.21136	3.6
543.19391	1.5
544.20996	2.1
548.18848	1.1
558.22083	2.9
560.20642	1.9
561.20490	2.2
562.21747	3.2
566.18994	4.2
574.22137	1.6
581.23767	1.9
584.20227	6.9
585.20532	2.7
586.22021	1.9
599.24194	3.1
602.21161	19.1
603.22278	9.5
604.23212	5.4
606.24274	2.6
618.24176	2.5
624.24872	2.0
634.23969	2.5
636.25189	4.6
641.25555	3.3
665.25867	2.0
678.26624	25.4
679.27509	17.4
680.28131	1.9
681.29242	6.2
689.25458	4.0
699.30505	2.3
701.27747	2.2
707.27197	33.3
710.28668	1.4
711.29877	2.2
721.28497	2.5
725.28363	24.2
739.29382	4.9
743.29248	100.0
744.28900	3.8
753.31799	2.0
757.30109	4.3
775.32019	16.0
783.32098	3.1
801.32922	4.4
819.34540	67.0
820.34601	2.3
851.37299	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.6098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	11.2
61.02937	0.8
64.37737	0.5
67.05505	5.0
69.03415	0.7
69.07060	1.8
71.04995	0.8
71.08633	40.0
71.38554	0.5
71.42226	1.0
73.02920	2.1
73.06564	4.8
79.05500	1.6
81.07057	2.3
82.18102	0.5
83.05019	0.6
83.08622	1.6
85.10187	37.4
87.04474	19.3
89.06035	100.0
91.05498	1.5
93.07047	1.4
95.08630	1.8
97.10152	1.0
99.11748	4.2
103.07581	5.8
105.07029	1.1
107.07081	2.0
107.08623	0.9
109.10175	2.7
113.06019	1.0
115.07600	0.5
117.09131	4.5
119.08572	0.9
121.10086	0.6
124.07616	0.6
130.08611	3.1
131.07045	7.5
131.08572	0.7
133.08609	70.0
141.16402	3.4
159.10141	0.8
161.11737	1.9
173.11717	0.6
175.09659	4.9
177.11230	31.0
184.07318	0.8
191.12761	0.7
195.12254	0.7
199.20615	4.2
201.11165	0.7
219.12274	2.1
221.13844	6.1
223.15294	0.7
229.14427	2.5
230.14702	1.1
239.14870	0.9
243.23199	4.4
261.22104	0.7
263.14999	0.6
265.16394	1.5
283.17493	2.5
309.18994	2.1
327.19952	1.7
335.25677	0.9
336.25897	1.1
337.26535	0.7
353.21259	0.8
371.22589	0.7
388.49390	0.6
397.24173	0.8
441.26892	0.8
456.49817	0.6
473.08453	0.5
485.29575	0.6
490.35779	0.8
491.36060	0.8
503.30267	0.9
591.35474	0.9
635.38422	4.5
653.39600	0.8
675.41223	0.8
833.57361	1.3
850.61676	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	848.6302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	41.1
67.05505	2.2
69.07069	2.8
69.46999	1.3
69.47395	5.5
71.08636	100.0
72.17663	0.8
72.53757	1.0
73.02904	1.7
73.06562	1.7
83.08610	2.9
85.10188	84.2
87.03983	1.5
87.04474	14.7
89.06039	66.5
97.10199	4.2
98.21460	1.9
99.11727	14.9
101.09663	4.3
111.11723	1.4
113.13300	6.1
117.09148	15.6
130.08617	2.6
131.07047	5.6
133.08615	55.5
135.10179	1.0
155.17946	12.4
175.09723	4.0
177.11237	22.6
189.56535	0.9
191.12749	1.1
213.22147	26.2
215.45575	1.0
219.12303	2.3
221.13750	5.0
223.15422	0.9
239.14912	1.5
254.24791	1.5
265.16479	1.5
271.26321	26.6
271.29126	1.7
272.20261	1.1
283.17548	2.3
288.13507	0.9
309.19171	1.3
327.20215	1.6
353.21631	1.0
415.25421	0.9
459.27814	1.3
503.30588	11.9
541.95044	0.9
543.33563	1.5
561.34698	1.5
601.37848	1.6
763.45807	1.8
848.48358	7.6
848.62671	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	850.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	4.6
61.02928	2.1
67.05518	3.5
68.99798	1.1
69.03437	11.9
69.07074	30.7
69.24606	5.6
70.06594	1.5
71.01350	0.5
71.04993	1.8
71.08638	3.3
73.02926	3.2
73.06565	2.1
79.05499	2.0
81.03425	13.3
81.07063	7.3
83.01317	0.6
83.04979	1.9
83.08625	98.9
85.02911	23.5
85.03432	1.4
85.06546	0.7
85.81342	0.6
86.09697	0.7
87.00842	8.2
87.04475	10.7
89.06038	100.0
91.03989	1.0
91.05482	6.0
93.07044	1.8
95.04991	2.9
95.08625	4.5
97.02910	9.7
97.06544	0.7
97.10178	30.0
98.21455	1.2
98.97596	1.7
99.04453	5.1
101.06058	0.6
101.87451	0.6
103.07580	2.7
105.01864	4.8
105.07024	2.0
107.07088	2.5
107.08597	2.2
109.02890	14.8
109.03596	1.1
109.10177	2.1
111.04471	1.7
111.11717	1.1
113.06013	0.9
117.01824	1.3
117.09129	1.5
119.04944	1.9
119.08578	1.9
121.06500	0.7
121.10158	1.0
123.04456	0.7
123.11677	0.6
125.06082	0.7
125.20710	0.6
127.03931	13.6
128.98592	0.7
129.01831	1.1
130.08650	1.6
131.07045	5.8
131.10681	0.5
133.08615	80.3
135.11746	0.9
137.05986	19.5
138.06317	1.4
139.14816	0.9
143.14308	1.7
145.04990	3.2
147.11757	1.1
149.05965	1.1
154.08624	0.6
155.14317	1.2
157.08736	0.6
157.15894	16.0
159.02872	3.8
161.13284	1.1
167.07140	1.2
175.09698	7.4
175.16972	3.6
177.11232	47.4
184.52657	0.7
185.08170	1.0
189.00728	0.7
189.03893	0.9
195.12291	0.7
199.17128	0.6
201.18486	1.0
213.03928	2.3
215.20076	4.4
216.98058	0.7
219.01813	2.0
219.12248	2.3
221.11772	1.0
221.13853	12.4
231.05025	2.7
237.02771	1.7
239.14934	2.4
241.11105	1.4
248.59846	0.6
259.22681	7.8
261.02921	0.7
265.16443	5.9
267.15808	1.0
278.10175	0.7
279.03952	1.0
283.17505	6.4
285.10074	1.4
289.09122	1.1
307.17325	0.6
309.19006	3.0
325.22247	0.6
327.20175	5.8
353.21704	8.4
367.23383	1.1
371.22787	46.8
372.23306	0.8
397.25241	0.6
411.25974	13.3
429.26852	2.3
476.82019	0.7
567.40851	1.2
585.42102	46.1
586.42633	1.3
635.30927	0.7
644.37762	1.4
653.31000	0.6
735.85980	0.7
736.34619	1.0
850.49573	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	848.6304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	44.8
67.05514	1.8
69.07069	3.6
70.98941	2.9
71.08633	100.0
73.06560	1.7
81.07042	1.3
83.08624	6.5
84.24149	1.5
84.80373	1.3
85.10184	97.0
87.04468	12.0
89.06033	42.2
97.10199	2.2
99.11741	11.8
101.09663	4.1
117.09146	22.2
130.08670	2.0
131.07045	3.9
133.08609	38.8
141.16377	11.2
155.85855	1.3
175.09688	3.2
177.11215	17.9
181.19562	1.4
185.34352	1.5
185.80978	1.4
190.76810	1.4
199.20578	30.7
221.13870	4.3
240.23300	3.9
257.24792	41.9
312.40536	1.5
315.28833	3.3
327.20200	1.5
347.15103	1.4
347.19788	1.5
372.51013	1.4
415.25452	1.5
450.83362	1.4
459.27902	10.6
499.30923	1.9
517.32404	1.7
848.48926	9.7
848.62726	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	848.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	2.8
61.02638	0.8
61.02929	10.6
65.03938	2.8
67.05506	99.4
68.05844	0.9
69.03428	3.0
69.07071	6.7
71.05004	3.9
71.08617	0.6
71.38718	0.4
71.98308	0.5
73.02923	4.1
75.18179	0.4
77.03967	0.5
79.05495	20.8
81.03429	1.5
81.07059	41.5
82.07385	0.4
83.04986	1.3
83.08623	8.3
85.02905	14.7
85.06539	3.5
87.04483	1.0
91.03958	9.1
91.05482	14.6
93.07045	29.1
95.04973	1.5
95.08611	31.0
96.04517	0.7
97.02891	7.5
97.06528	1.3
97.10163	2.6
99.04459	1.0
99.08094	1.3
103.03970	0.9
105.04531	0.7
105.07033	9.9
107.08598	16.9
109.02884	0.6
109.06514	1.2
109.10159	83.6
109.30640	0.4
110.10497	0.5
111.08086	3.8
113.05994	0.4
113.09675	0.5
114.15906	0.4
115.03933	1.0
117.07021	3.5
119.08583	12.0
121.10144	15.1
123.08106	0.8
123.11711	4.3
125.09630	1.4
127.03931	4.4
129.06998	0.7
131.08583	6.0
133.10135	6.1
135.08020	0.7
135.11694	9.4
136.44292	0.4
137.09647	3.7
137.13260	1.2
143.08611	0.5
144.06567	0.5
145.04977	4.4
145.10115	4.6
147.11710	4.8
149.13257	5.3
151.11191	0.5
151.14830	0.7
153.31383	0.4
155.10663	6.5
157.10115	0.8
159.11688	4.5
161.13274	4.3
163.06035	5.4
163.14813	3.6
171.11748	0.8
173.11781	20.0
173.13280	4.2
175.14851	1.4
177.12653	0.5
177.16411	1.0
187.14862	2.4
188.57144	0.4
189.11232	0.9
189.16400	0.5
201.16463	0.9
227.12769	6.8
229.14357	100.0
231.15799	0.7
233.22729	0.6
243.21078	5.8
254.82777	0.4
259.20627	0.5
261.22159	24.9
262.22604	0.5
263.23764	0.5
277.21762	0.5
299.23627	0.7
317.24731	4.3
333.24289	0.4
335.25806	83.2
336.26144	1.6
373.18481	0.7
379.29922	1.3
397.30978	1.8
415.32184	0.9
433.33603	0.7
435.31003	0.9
471.34784	3.1
489.35757	85.3
490.35995	1.8
507.36801	10.6
633.39685	1.0
848.51691	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	848.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	2.8
61.02638	0.8
61.02929	10.6
65.03938	2.8
67.05506	99.4
68.05844	0.9
69.03428	3.0
69.07071	6.7
71.05004	3.9
71.08617	0.6
71.38718	0.4
71.98308	0.5
73.02923	4.1
75.18179	0.4
77.03967	0.5
79.05495	20.8
81.03429	1.5
81.07059	41.5
82.07385	0.4
83.04986	1.3
83.08623	8.3
85.02905	14.7
85.06539	3.5
87.04483	1.0
91.03958	9.1
91.05482	14.6
93.07045	29.1
95.04973	1.5
95.08611	31.0
96.04517	0.7
97.02891	7.5
97.06528	1.3
97.10163	2.6
99.04459	1.0
99.08094	1.3
103.03970	0.9
105.04531	0.7
105.07033	9.9
107.08598	16.9
109.02884	0.6
109.06514	1.2
109.10159	83.6
109.30640	0.4
110.10497	0.5
111.08086	3.8
113.05994	0.4
113.09675	0.5
114.15906	0.4
115.03933	1.0
117.07021	3.5
119.08583	12.0
121.10144	15.1
123.08106	0.8
123.11711	4.3
125.09630	1.4
127.03931	4.4
129.06998	0.7
131.08583	6.0
133.10135	6.1
135.08020	0.7
135.11694	9.4
136.44292	0.4
137.09647	3.7
137.13260	1.2
143.08611	0.5
144.06567	0.5
145.04977	4.4
145.10115	4.6
147.11710	4.8
149.13257	5.3
151.11191	0.5
151.14830	0.7
153.31383	0.4
155.10663	6.5
157.10115	0.8
159.11688	4.5
161.13274	4.3
163.06035	5.4
163.14813	3.6
171.11748	0.8
173.11781	20.0
173.13280	4.2
175.14851	1.4
177.12653	0.5
177.16411	1.0
187.14862	2.4
188.57144	0.4
189.11232	0.9
189.16400	0.5
201.16463	0.9
227.12769	6.8
229.14357	100.0
231.15799	0.7
233.22729	0.6
243.21078	5.8
254.82777	0.4
259.20627	0.5
261.22159	24.9
262.22604	0.5
263.23764	0.5
277.21762	0.5
299.23627	0.7
317.24731	4.3
333.24289	0.4
335.25806	83.2
336.26144	1.6
373.18481	0.7
379.29922	1.3
397.30978	1.8
415.32184	0.9
433.33603	0.7
435.31003	0.9
471.34784	3.1
489.35757	85.3
490.35995	1.8
507.36801	10.6
633.39685	1.0
848.51691	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	847.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60755	0.4
61.02684	0.5
61.02937	5.0
65.03947	0.5
67.05508	4.7
69.03433	3.0
69.07079	2.1
71.04997	0.9
71.08640	0.7
71.32022	0.4
73.02922	3.7
79.05486	3.6
81.03424	1.5
81.07057	3.7
83.05003	0.7
85.02904	3.9
85.10213	0.9
87.04481	0.8
89.06029	2.0
91.03967	3.0
91.05494	1.8
93.07038	4.6
95.08615	3.4
97.02890	4.6
97.48058	0.5
99.04462	0.9
101.02396	1.6
103.26699	0.5
105.07050	1.3
107.08615	1.6
109.10160	1.5
117.07053	0.5
119.08580	1.3
121.10144	1.3
127.03921	1.2
131.08583	1.0
133.08647	1.8
133.10133	0.8
135.11710	0.6
139.11317	0.5
161.13266	0.5
163.14905	0.5
178.36813	0.5
185.04210	0.5
221.73892	0.5
241.06755	0.6
243.08563	2.0
316.42337	0.4
351.21472	2.4
397.80328	0.5
407.24274	0.6
413.17987	0.6
413.23364	0.5
519.29272	5.6
530.76007	0.6
537.29968	0.7
551.28369	0.8
553.29333	0.9
569.29510	3.0
847.51770	100.0
848.51709	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	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05397	0.3
61.02931	4.5
67.05506	4.7
67.05830	0.4
69.03436	3.8
69.07081	1.3
70.71492	0.4
70.71805	0.4
71.01357	0.5
71.05015	0.8
73.02918	4.2
74.69751	0.3
79.05495	3.9
81.03426	1.6
81.07056	5.4
83.04971	0.4
83.08631	0.4
85.02908	4.5
87.04484	0.6
91.03961	3.3
91.05485	2.2
93.07050	3.9
95.04988	0.9
95.08608	3.5
97.02899	4.1
97.06546	1.4
99.04481	0.8
100.30933	0.3
101.02393	2.0
103.03963	0.4
105.07069	1.3
107.08582	2.0
109.02877	0.7
109.06544	0.4
109.10149	1.4
115.03952	0.4
117.07077	0.7
119.08620	1.1
121.10126	1.8
123.08045	0.3
123.11732	0.4
127.03951	1.3
131.08559	0.6
133.10168	0.8
135.11746	1.2
145.04997	0.4
145.10188	0.5
147.11716	0.6
149.13319	0.6
159.11729	0.4
173.13287	0.4
185.04283	0.8
203.05330	0.4
243.08421	2.3
319.19092	0.5
331.18726	0.3
335.26022	0.5
349.19888	8.4
439.19504	0.7
453.20953	0.7
519.29327	5.8
567.27600	2.9
717.41711	0.6
832.10809	0.3
845.50183	100.0
846.50323	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	847.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60755	0.4
61.02684	0.5
61.02937	5.0
65.03947	0.5
67.05508	4.7
69.03433	3.0
69.07079	2.1
71.04997	0.9
71.08640	0.7
71.32022	0.4
73.02922	3.7
79.05486	3.6
81.03424	1.5
81.07057	3.7
83.05003	0.7
85.02904	3.9
85.10213	0.9
87.04481	0.8
89.06029	2.0
91.03967	3.0
91.05494	1.8
93.07038	4.6
95.08615	3.4
97.02890	4.6
97.48058	0.5
99.04462	0.9
101.02396	1.6
103.26699	0.5
105.07050	1.3
107.08615	1.6
109.10160	1.5
117.07053	0.5
119.08580	1.3
121.10144	1.3
127.03921	1.2
131.08583	1.0
133.08647	1.8
133.10133	0.8
135.11710	0.6
139.11317	0.5
161.13266	0.5
163.14905	0.5
178.36813	0.5
185.04210	0.5
221.73892	0.5
241.06755	0.6
243.08563	2.0
316.42337	0.4
351.21472	2.4
397.80328	0.5
407.24274	0.6
413.17987	0.6
413.23364	0.5
519.29272	5.6
530.76007	0.6
537.29968	0.7
551.28369	0.8
553.29333	0.9
569.29510	3.0
847.51770	100.0
848.51709	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	845.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	4.0
61.78149	0.3
67.05169	0.4
67.05509	5.1
69.03431	3.0
69.07074	2.6
69.18449	2.9
71.01367	0.3
73.02930	3.4
73.31143	0.2
79.05502	4.7
81.03418	1.4
81.07064	4.6
81.20630	0.2
83.04986	0.6
83.08637	1.0
85.02911	3.9
87.04488	0.6
91.03968	2.4
91.05489	3.7
93.07057	5.5
95.04976	0.6
95.08619	2.6
97.02901	4.0
97.06548	0.6
97.10182	0.7
98.21465	0.5
99.04484	0.9
101.02399	1.6
105.07051	3.7
107.08602	2.8
109.02911	0.5
109.06505	0.4
109.10183	1.1
111.08139	0.3
115.03947	0.3
117.07063	0.9
119.08595	2.4
121.10197	1.4
125.09648	0.4
127.03925	1.2
129.05516	0.4
129.06987	0.3
131.08585	1.3
133.10153	2.4
135.11728	1.1
143.08611	0.3
145.04803	0.3
145.10141	0.9
145.11218	0.3
147.11696	1.3
149.13306	0.6
157.10175	0.3
159.11731	0.9
161.13249	0.4
171.11717	0.3
178.08650	0.3
185.04295	0.8
201.03807	0.4
241.06850	0.5
243.08435	3.6
259.20621	0.4
275.19778	0.3
301.08948	1.5
315.10638	1.0
317.20947	0.7
333.20456	2.4
333.24088	0.4
359.43414	0.3
373.11142	0.4
389.23196	0.3
431.24374	0.4
439.19562	0.8
453.21274	1.0
465.21320	0.6
517.28070	0.3
525.23016	0.4
535.28851	6.7
535.36658	0.4
551.28320	5.8
623.30334	0.7
637.32532	0.5
651.32990	0.4
845.50238	100.0
846.50415	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	845.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09821	0.6
69.73016	4.3
71.08656	0.8
81.07053	0.6
98.20708	0.8
105.51890	0.6
128.74246	0.7
153.75021	0.7
225.06044	0.7
293.02808	0.8
332.31104	0.7
380.47672	0.8
623.05170	0.7
845.48248	100.0
846.48639	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	844.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	7.8
65.03948	1.3
67.05507	16.1
69.03086	0.3
69.03432	4.3
69.07072	4.7
69.28217	2.3
70.06596	0.4
71.01328	0.8
71.04971	1.1
73.02557	0.3
73.02920	3.9
74.06074	0.4
77.03908	0.3
79.05497	11.1
81.03413	1.4
81.07060	15.7
83.04974	0.6
83.08619	2.1
85.02907	6.5
85.06548	0.5
87.04451	0.3
91.03473	0.3
91.03957	3.3
91.05486	9.5
92.07125	0.3
93.07045	12.8
95.04985	1.4
95.08609	12.3
97.02290	0.3
97.02898	6.1
97.06510	1.0
97.10157	0.9
99.04452	0.8
101.02367	1.5
103.05481	1.9
105.03400	0.3
105.04535	0.3
105.07033	5.0
107.04961	0.4
107.08598	6.1
109.02854	0.9
109.06507	1.1
109.10155	4.5
111.08104	0.5
115.03905	0.6
115.05459	1.7
117.07018	2.6
118.06560	1.2
119.04941	0.9
119.08590	2.7
121.06492	0.8
121.10152	4.3
123.04436	4.1
123.08033	0.5
123.11753	1.2
125.09615	0.3
127.03921	1.7
128.06216	1.2
129.07011	3.1
131.04929	3.1
131.08566	2.4
133.06470	0.7
133.10133	2.5
135.11700	2.9
137.05986	7.7
137.13284	0.4
139.11224	0.3
141.06995	1.4
143.04904	0.9
143.08569	1.2
145.06500	2.6
145.10121	1.5
146.05997	2.0
147.04430	2.7
147.08032	0.5
147.11684	1.4
149.04720	1.4
149.05951	6.7
149.13260	1.6
151.06371	0.4
151.07530	0.5
151.11220	0.7
152.07031	0.3
153.06963	0.4
155.04878	0.4
155.06062	0.3
155.08583	1.3
157.06490	3.0
159.08058	1.0
159.11720	1.2
160.05186	1.1
161.05992	8.5
161.13290	0.6
162.05553	0.7
163.06339	0.5
163.07552	2.0
163.14709	0.2
164.07072	50.3
165.07240	0.4
166.08644	4.9
167.08644	0.4
168.13840	0.8
169.06502	1.2
171.08034	1.7
173.05991	16.6
173.13274	0.9
174.06535	0.3
175.07556	14.0
175.14938	0.3
176.07056	0.4
177.09105	0.4
177.12708	0.3
181.06433	0.6
183.08064	2.3
184.07385	0.9
185.06044	0.4
185.09631	0.9
187.07567	5.7
187.14793	0.4
189.05548	0.4
189.09099	2.4
190.08690	0.5
192.10168	0.3
194.15396	0.3
195.08054	0.7
197.09627	1.1
198.06804	0.2
199.07564	1.9
200.08443	0.4
201.09114	4.2
202.08574	0.4
203.10738	0.8
213.09103	1.2
215.10701	0.9
225.09068	0.4
227.10645	0.6
229.12402	0.4
261.22128	0.3
285.18607	0.6
295.16898	0.5
299.16568	0.6
301.18073	0.3
312.19730	0.4
313.17981	4.4
330.20694	1.8
331.18872	0.3
335.25790	7.2
335.29828	0.4
348.21887	0.8
360.21777	0.3
387.21997	0.3
404.24326	1.7
420.23651	0.3
422.25415	1.2
444.58743	0.3
497.31155	2.3
566.29242	0.5
664.45789	0.5
682.46759	21.5
683.47449	0.8
844.52045	100.0
845.52142	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	844.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.2
64.20260	0.3
65.03922	1.4
65.04245	0.3
67.05508	14.8
69.03436	3.9
69.06731	0.4
69.07069	4.9
71.00933	0.8
71.04971	1.0
71.68830	0.4
73.02924	4.0
74.06052	0.8
79.05070	0.5
79.05498	10.4
81.03436	1.6
81.07061	15.8
83.04968	0.8
83.08638	1.5
85.02441	0.4
85.02908	5.6
85.06507	0.4
85.88033	0.3
86.09708	0.7
87.04464	0.4
91.03953	2.6
91.05481	9.2
92.07091	0.5
93.06470	0.6
93.07047	11.7
95.04949	1.1
95.08612	11.4
97.02888	5.5
97.06507	1.0
97.10148	0.7
98.09618	0.3
99.04438	0.6
101.02369	1.1
103.05483	1.8
104.08133	0.3
105.07040	4.8
107.04955	0.5
107.08595	5.3
109.02874	0.5
109.06511	0.7
109.10162	4.1
111.08078	0.5
115.03854	0.5
115.05454	1.1
117.07022	2.4
118.06535	1.3
119.04948	1.0
119.08585	3.2
121.06499	0.7
121.10149	3.8
123.04446	3.9
123.11692	1.3
127.03906	1.4
128.06223	1.5
129.07019	3.3
131.04919	2.8
131.08583	2.5
133.06494	0.7
133.10156	2.2
135.11702	2.5
137.05008	0.6
137.05984	8.2
137.09605	0.4
141.06981	1.1
143.04842	0.5
143.08588	1.5
145.06476	2.7
145.10126	1.3
146.06001	2.3
147.04420	2.2
147.07971	0.6
147.11699	1.0
148.05089	0.4
149.04781	0.9
149.05977	7.4
149.13252	1.0
151.07509	0.6
152.07059	0.8
153.06990	0.7
154.08656	0.7
155.08533	1.1
157.06500	3.5
157.10112	0.7
159.08070	0.9
159.11699	0.8
160.05225	0.9
161.05988	10.5
161.13284	0.7
162.05486	0.8
163.06300	0.5
163.07526	2.4
164.07072	47.5
165.07146	0.6
166.07346	0.6
166.08658	5.9
167.08598	0.4
168.13797	0.7
169.06508	1.1
171.08035	2.3
173.05991	21.3
173.13297	0.7
175.07555	16.4
176.07013	0.4
177.07825	0.5
177.09181	0.5
181.06456	0.8
183.08092	3.1
184.07356	1.9
185.09605	1.0
187.07571	6.2
188.08087	0.4
189.09134	2.0
192.10168	0.4
195.08055	0.8
197.09624	1.0
199.07561	2.2
201.09126	3.8
203.10706	0.9
209.09589	0.4
213.09132	1.4
215.10661	0.9
225.09027	0.4
229.12355	0.4
261.22083	0.4
285.18475	0.6
295.16904	0.7
312.19742	0.5
313.17953	5.1
330.20575	2.6
331.19147	0.6
335.25836	4.3
348.21671	0.9
360.21487	0.5
386.23425	0.4
404.24451	2.6
422.25195	0.6
497.31146	0.8
566.29736	1.2
647.35541	0.4
682.46783	23.9
683.45911	0.4
844.52063	100.0
845.52325	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	844.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.7
61.83407	0.2
65.03941	0.4
67.05504	5.7
69.03418	0.8
69.07077	1.5
69.89700	0.5
69.90115	0.8
73.02903	0.8
79.05489	3.9
81.07061	6.1
83.04955	0.2
83.08615	0.7
85.02905	1.7
86.09703	1.0
91.03945	0.7
91.05470	2.1
93.07048	4.5
94.04026	0.2
95.04968	0.6
95.08607	3.5
97.02870	1.3
97.06523	0.5
101.02367	0.3
105.07023	1.1
107.08616	2.2
109.06496	0.3
109.10162	1.1
111.08056	0.2
117.07009	0.6
117.73239	0.2
119.03586	1.3
119.08588	0.8
121.06504	0.3
121.10142	1.8
123.04394	0.3
123.11745	0.4
125.00001	0.6
127.03887	0.5
131.08571	0.8
133.10124	0.6
135.11684	0.7
136.06190	100.0
137.04608	1.1
137.05835	0.2
145.10088	0.3
147.11722	0.4
148.06209	0.2
149.13242	1.0
159.11760	0.3
164.07062	1.0
171.94762	0.2
173.05978	0.3
174.07747	0.7
178.07225	0.3
182.55853	0.2
184.07358	3.3
192.08836	0.3
201.09081	0.2
210.09770	0.3
247.61067	0.3
269.17462	0.4
286.16699	0.6
288.16263	0.2
302.19864	0.5
308.62549	0.3
330.19235	14.2
335.25729	1.5
348.20303	1.6
386.22168	0.4
404.22906	2.9
422.23972	2.3
445.13870	0.3
482.02728	0.2
529.39270	0.3
566.28461	0.4
664.44440	0.9
682.45416	43.5
683.45685	1.5
844.50592	16.1
845.50427	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	2.3
65.03929	0.4
67.05509	7.2
69.03431	1.2
69.07074	1.7
70.68340	0.6
71.01344	0.3
71.04964	0.3
73.02933	1.1
79.05073	0.3
79.05502	3.9
81.03424	0.5
81.07064	6.4
83.04981	0.3
83.08615	0.9
85.02911	1.6
85.06537	0.2
86.09702	1.3
91.03957	0.9
91.05492	2.9
93.07046	4.8
95.04977	0.7
95.08609	3.8
97.02898	1.8
97.06516	0.4
97.10195	0.3
101.02348	0.4
104.10718	0.4
105.07036	1.3
107.08600	2.2
109.10162	1.4
111.08080	0.2
117.07023	0.6
119.03541	1.5
119.08582	0.8
121.10142	1.5
123.11745	0.2
124.99975	0.6
126.04938	0.2
127.03908	0.3
131.08563	0.7
133.10143	0.8
135.11705	0.9
136.06195	100.0
137.04593	1.3
137.05847	0.3
145.10107	0.3
149.13274	1.0
159.11713	0.5
161.05960	0.3
161.13248	0.3
164.07057	1.8
173.06001	0.6
174.07796	0.6
175.07510	0.3
178.07286	0.5
184.07359	3.7
187.07631	0.3
192.08830	0.5
194.99837	0.2
210.09906	0.4
261.22427	0.2
269.17529	0.4
286.16666	0.6
302.19946	0.6
311.73032	0.2
320.18646	0.2
330.19260	13.2
335.25845	2.4
348.20483	0.8
404.22958	1.9
422.23999	3.6
463.15387	0.5
664.44513	0.7
672.45392	0.3
682.45428	45.2
683.45502	1.1
730.56561	0.2
826.49316	0.4
844.50842	20.0
845.51105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55564	0.3
60.60639	0.3
61.02931	3.8
65.03951	0.5
67.05509	4.2
69.03430	2.6
69.07076	2.5
69.28732	2.8
71.01348	0.4
71.04971	0.4
73.02917	2.7
79.05502	3.9
81.03433	1.6
81.07058	3.9
83.04984	1.1
83.08618	0.8
85.02908	3.9
86.09787	0.3
87.04488	0.5
91.03973	1.7
91.05475	3.4
91.05934	0.4
93.07056	4.0
95.01261	0.3
95.04980	0.6
95.08614	2.4
97.02907	3.3
97.06540	1.7
97.10180	0.9
98.20749	0.5
99.04469	0.7
101.02394	1.3
105.07034	2.9
107.04958	0.7
107.08611	2.8
107.71130	0.3
108.78187	0.3
109.02926	0.5
109.10163	1.5
117.07032	0.9
119.08614	1.8
121.06503	0.3
121.10153	0.9
123.08115	0.6
125.09629	0.6
127.03915	0.6
129.07024	0.5
131.08600	1.1
133.10170	1.5
135.08057	0.4
135.11725	0.6
145.10155	0.9
147.11726	1.0
149.09656	0.8
149.13248	0.4
159.11696	0.7
173.13322	0.4
179.14333	0.4
184.07405	0.8
185.04253	0.6
201.03796	0.5
203.05353	0.8
243.08415	3.9
244.75911	0.3
247.28714	0.3
259.08060	0.4
272.20117	0.4
301.08865	0.7
315.19333	2.0
331.18951	0.7
333.20450	0.9
371.22079	1.0
379.19879	0.3
389.22940	0.6
413.17529	0.4
426.41278	0.3
439.19113	0.5
453.21033	1.0
533.27191	6.6
534.27185	0.4
535.28638	1.9
541.98596	0.3
549.26581	1.2
551.28387	5.1
552.86176	0.3
605.29987	0.4
681.42078	0.3
843.48590	100.0
844.48914	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	843.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.3
64.59499	0.3
64.68263	0.3
65.03953	0.4
67.05506	8.8
68.05842	0.6
69.03435	3.0
69.07075	3.6
69.38127	2.0
71.01340	0.4
71.04980	0.9
73.02915	2.6
79.05493	6.9
80.05824	0.5
81.03407	1.7
81.07058	7.3
82.07394	0.7
83.04978	0.8
83.08621	1.3
85.02905	4.0
85.06542	0.4
87.04460	0.7
91.03956	2.5
91.05482	4.9
93.07045	7.4
94.07391	0.8
95.04976	1.1
95.08609	5.2
96.08922	0.5
97.02893	4.1
97.06553	0.9
97.10176	1.3
99.04453	0.4
101.02387	1.3
103.03910	0.4
105.07032	4.6
107.04928	0.4
107.08591	4.3
108.08910	0.6
109.02898	0.7
109.06538	0.7
109.10168	3.1
110.10526	0.3
111.08115	0.3
115.03943	0.4
117.07030	1.2
119.08583	3.9
121.06541	0.3
121.10136	2.5
122.10410	0.3
123.08070	0.5
123.11673	0.9
125.09650	0.7
127.03928	1.0
129.07018	0.3
131.08589	2.1
133.10141	2.5
135.08075	0.4
135.11716	1.3
137.09676	0.5
143.08617	0.7
145.10129	1.7
147.11679	1.7
149.13271	1.0
157.10181	0.9
159.11703	1.5
161.13255	1.1
163.11235	0.3
171.11713	0.6
173.13353	0.5
177.12839	0.4
184.07330	0.4
185.04248	1.1
185.13271	0.4
189.11122	0.4
203.05264	0.5
223.13373	0.7
229.14436	1.2
230.14648	0.4
241.19624	0.3
243.08421	4.2
259.20581	0.4
261.22162	0.5
269.17450	0.9
272.20282	0.4
275.20154	0.8
291.19553	1.2
301.09045	1.2
315.10654	0.5
331.18890	2.0
334.24814	0.4
335.25833	4.2
336.26175	2.6
346.27460	0.3
349.24036	0.5
367.24960	0.6
369.15146	0.3
371.21906	0.5
397.18307	0.5
429.22311	0.3
465.20886	0.7
489.36069	0.9
490.36264	1.1
529.38983	1.4
530.39374	2.2
533.27484	1.2
535.28784	7.3
549.26801	4.3
551.28320	1.2
607.31262	0.4
609.44989	0.5
610.46033	1.6
621.29065	0.8
627.46283	0.3
628.46368	0.9
705.38519	0.5
755.98456	0.3
843.48566	100.0
844.48743	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	842.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	1.8
61.02928	2.0
65.03923	3.6
67.05506	100.0
69.03415	4.6
69.07070	22.3
71.04984	4.9
71.55084	2.5
73.31625	1.4
73.43367	1.3
79.05491	54.8
81.03411	3.5
81.07056	84.2
83.05005	4.2
83.08614	16.6
84.92770	1.4
85.02902	2.6
85.06530	4.0
91.05482	37.1
93.07045	61.5
95.04961	6.4
95.08607	48.1
97.02879	2.3
97.06536	9.6
97.10164	10.8
99.08070	2.9
105.07031	32.9
107.04951	4.5
107.08598	40.2
109.06509	5.0
109.10161	56.4
111.08087	5.3
117.07028	12.2
118.06509	2.0
119.04910	1.5
119.07802	1.9
119.08588	26.3
121.06478	2.3
121.10140	25.8
123.11706	9.4
125.09605	5.6
129.07002	3.2
131.08563	19.4
133.10129	18.9
135.08072	2.5
135.11687	14.0
137.05930	2.0
137.09648	3.0
143.08568	4.0
145.10135	13.2
147.08022	2.1
147.10616	2.0
147.11714	14.6
149.09624	7.9
149.13269	12.5
155.08592	1.8
155.10606	3.0
157.10132	4.9
159.11728	10.2
161.13235	5.1
163.11166	4.7
163.14870	2.8
163.32536	1.6
169.10133	2.2
171.11694	4.1
173.11728	8.5
173.13268	9.2
175.11232	1.6
175.14799	3.3
177.12683	2.1
183.11781	2.6
184.07359	2.2
185.13272	1.7
187.11389	1.5
187.14830	3.0
189.11215	2.1
195.13742	2.2
199.14763	1.5
201.16437	1.4
227.12854	7.2
229.14340	42.5
243.21088	3.7
244.20607	1.8
257.18973	2.9
259.20697	3.7
261.22165	16.6
269.17426	18.8
272.20105	5.4
275.20071	24.9
293.21118	5.3
309.20563	1.7
317.24847	2.1
331.22491	2.3
333.24289	2.8
335.25790	92.4
341.24838	1.6
346.27423	2.9
349.23709	22.9
367.24789	19.7
489.35779	33.8
507.36761	4.1
517.39606	1.8
529.38885	35.7
530.39056	1.8
569.42029	7.8
609.45197	33.7
627.46149	22.5
669.40723	1.8
741.39319	1.7
750.86450	1.6
842.54333	7.3
843.48627	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	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50035	1.6
61.01763	1.8
61.02930	2.5
61.24046	1.9
62.53350	1.9
65.03923	7.7
67.05505	91.3
67.73789	2.0
69.03455	9.4
69.03752	2.4
69.06729	2.8
69.07070	38.6
69.34608	16.6
71.04977	8.2
71.08627	1.8
73.02901	3.5
73.06530	2.6
79.05496	100.0
81.03430	9.9
81.07060	90.8
83.04982	9.8
83.08623	21.7
85.02895	5.7
85.06519	6.5
89.09297	1.7
91.03961	2.2
91.05486	92.7
93.07044	84.4
95.04973	14.6
95.08608	54.3
97.02879	6.4
97.06532	11.8
97.10151	12.1
98.20629	2.0
99.04462	2.0
99.08081	4.1
103.05444	3.0
105.04505	4.3
105.07030	87.5
107.04964	8.1
107.08595	57.2
109.06515	6.1
109.10159	27.9
111.08079	5.7
113.09654	1.9
115.05446	4.6
117.07023	33.8
119.08588	66.6
121.06490	3.6
121.10145	35.7
123.08048	5.7
123.11704	7.0
125.09624	11.4
128.06204	7.4
129.06995	23.8
130.07808	2.4
131.08578	44.1
133.06519	3.5
133.10135	48.2
135.08058	5.4
135.11693	25.0
137.06009	1.9
137.09612	6.6
141.06979	5.2
142.07788	4.8
143.08569	26.2
145.10136	40.1
147.08044	2.7
147.11690	40.1
149.09595	10.1
149.13274	10.8
151.11137	1.9
153.07027	1.9
155.08556	10.9
155.56506	1.9
156.09419	2.4
157.10132	20.7
159.08121	2.4
159.11717	28.8
161.09680	3.6
161.13220	17.8
163.11180	9.9
163.14807	3.5
165.12762	2.4
167.08539	6.4
168.09349	2.3
169.10104	16.4
171.11693	21.5
173.09674	2.4
173.11940	2.5
173.13260	17.7
175.11208	4.1
175.14828	5.9
177.12669	4.8
179.08527	2.0
181.10107	5.7
181.12373	2.0
183.11720	14.6
184.07350	2.9
185.13268	12.8
187.14825	7.6
189.11205	2.2
189.12796	3.2
189.30267	1.7
193.10104	3.6
195.11711	4.9
195.13646	3.3
197.13257	8.2
199.14857	8.4
201.16481	3.7
207.11673	2.4
209.13219	7.6
211.14882	4.4
213.16350	4.6
215.17911	1.9
221.13232	4.5
223.14726	5.1
225.16373	5.1
227.12729	5.0
227.17924	2.9
229.14218	2.9
229.19464	3.1
231.21129	4.2
239.17982	4.9
241.19533	12.8
255.15897	6.0
255.32564	1.9
257.18979	5.7
259.20560	36.8
261.22192	2.5
267.15891	3.7
269.17407	12.5
275.20108	20.5
277.21744	2.2
283.20572	2.7
287.19821	2.6
315.23151	5.1
319.22363	2.3
321.21866	2.6
323.23712	2.7
333.24249	39.9
336.85443	2.2
349.23810	15.9
367.25085	2.6
421.31116	3.3
435.32471	5.8
439.32358	2.6
453.33493	5.4
459.32706	2.2
471.34570	2.3
485.32773	2.6
501.35483	2.5
509.36118	3.2
513.35815	26.9
515.38025	7.2
527.37378	37.9
531.36176	2.1
533.39972	3.9
545.38184	6.5
567.40802	2.0
581.10553	2.1
589.42303	3.3
607.34155	3.3
607.43542	35.6
625.44708	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	840.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	1.3
61.02934	5.8
65.03938	5.2
67.05508	89.0
69.03428	18.3
69.07071	52.4
69.49187	2.4
69.49612	3.4
71.01343	1.0
71.05000	19.8
73.02928	4.9
77.03912	1.5
79.05495	72.9
81.03422	18.7
81.07059	83.0
83.04981	12.6
83.08622	11.7
84.69872	0.9
85.02908	10.1
85.06529	4.6
87.04478	1.5
91.05482	58.1
93.07047	73.9
95.04970	14.9
95.08609	53.7
97.02902	10.5
97.06533	80.5
97.10162	4.4
99.04447	4.8
99.08089	6.4
103.03937	1.9
103.05461	2.9
105.04507	2.5
105.07033	40.1
107.04964	9.6
107.08601	34.3
109.02878	5.2
109.06524	16.8
109.09459	1.8
109.10160	24.1
111.04464	2.1
111.08078	6.7
113.06001	2.7
115.05432	2.9
115.06789	1.6
115.07569	27.5
117.07028	20.6
119.08580	26.7
121.06494	8.4
121.09317	1.8
121.10142	28.3
123.04391	1.5
123.08068	6.8
123.11715	7.2
125.09589	2.2
127.03944	6.9
127.07545	3.5
128.06206	2.5
129.05444	3.0
129.07005	10.0
130.07813	1.2
131.08572	27.5
133.06473	2.7
133.10133	24.9
135.08066	13.1
135.11697	16.8
137.09628	4.4
139.07489	1.4
141.06966	3.2
142.07780	1.5
143.08563	7.7
145.06490	2.9
145.09041	1.4
145.10126	17.4
147.08014	5.8
147.11685	11.7
149.06035	1.2
149.09663	7.3
149.13258	10.3
151.03906	1.9
151.07527	1.4
151.11174	4.1
153.06998	1.1
155.08540	2.7
156.09303	1.1
157.10144	9.9
159.08061	2.7
159.11703	14.5
161.09616	6.4
161.13246	6.2
163.07545	1.5
163.11185	3.0
163.14821	2.7
165.06938	1.6
165.09056	1.2
169.10158	3.7
171.11678	6.7
173.04494	5.8
173.09662	2.9
173.13287	9.1
175.11259	5.3
175.14833	3.6
177.12762	3.4
181.10141	2.1
183.11679	3.8
185.13249	4.2
187.11169	1.6
187.14810	3.7
189.12773	1.4
191.14311	1.5
195.11809	1.8
195.13759	2.9
197.13307	2.2
199.14803	3.8
201.07520	3.8
201.12750	1.8
201.16394	1.0
203.14377	2.0
205.12137	1.2
217.15884	8.4
219.13792	1.7
227.12782	2.0
227.17995	2.5
231.17627	1.1
233.15379	4.0
237.16331	1.5
241.10695	1.2
243.21088	2.5
245.19070	4.3
249.14917	1.0
253.14268	2.5
255.17447	3.2
257.18799	1.1
259.20587	3.7
261.22195	10.1
263.20050	2.0
267.15903	1.2
269.17435	13.8
272.20236	2.1
273.18497	31.6
275.20087	2.2
276.16660	1.2
291.19586	17.3
297.16959	1.4
301.21719	1.2
307.19095	2.3
309.20593	1.8
315.19806	1.3
317.24704	1.3
329.20966	1.3
333.24426	2.6
335.25812	100.0
347.22150	15.7
365.23315	12.0
383.24323	2.3
391.28552	2.4
435.23660	1.3
515.37439	4.0
529.31543	1.9
529.38873	29.3
531.25842	1.1
531.35706	1.4
533.39746	2.1
555.40442	1.5
557.38214	3.1
567.40143	3.9
569.41565	1.4
597.45056	1.2
607.43719	7.5
625.44568	22.7
643.45569	11.3
667.12463	1.1
751.46814	1.2
787.48254	1.6
840.57843	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	839.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95953	1.3
67.05515	8.0
69.03437	7.3
69.07070	3.4
69.99970	7.8
70.00269	1.7
71.04976	1.7
73.02898	4.5
79.05493	2.7
80.78320	1.3
81.03413	11.4
81.07041	2.7
85.02908	8.7
89.06054	2.2
89.29824	1.4
91.05477	5.1
93.07027	2.4
94.06567	7.1
95.04960	2.4
97.02885	4.9
98.97572	2.3
100.59589	1.5
100.69706	1.7
103.05498	2.1
105.07040	2.6
106.06548	2.3
107.04955	4.3
108.08125	8.9
109.02890	7.3
117.07003	1.7
120.08115	3.2
121.10106	2.0
122.06012	23.4
123.04402	3.5
125.02460	1.7
127.03890	5.1
131.04948	1.7
134.06007	3.1
136.07603	11.6
137.05954	5.2
140.07068	4.1
145.10129	2.0
146.05965	5.9
148.07613	9.2
150.09177	2.0
151.03914	1.6
151.07523	3.3
157.22908	1.6
164.07053	4.8
166.08617	4.8
167.07051	10.1
172.03963	2.2
174.05487	3.7
177.05472	3.3
179.09985	1.7
181.04936	3.0
183.06667	1.9
190.04956	2.0
204.06560	2.8
206.08176	2.2
209.10738	2.1
211.08684	2.4
213.10243	2.9
221.10638	1.8
222.11488	3.9
223.08658	7.8
223.12312	6.1
224.12978	3.2
225.10220	29.1
225.13861	6.1
226.10976	3.3
227.11751	7.7
233.10660	2.0
235.08597	8.0
235.12384	2.6
236.09451	7.2
236.13100	2.1
237.10237	16.4
237.13777	7.4
238.10985	13.8
239.08144	3.2
239.11830	22.7
239.15337	2.1
240.12532	5.5
241.13345	4.7
247.12228	1.7
248.09509	5.2
248.13115	2.1
249.10217	22.4
250.10980	22.2
251.08151	7.4
251.11792	74.1
252.12538	14.5
253.09798	4.6
253.13397	22.4
254.14253	1.6
262.11017	3.7
263.08905	2.3
263.11810	44.2
264.08905	3.4
264.12524	10.8
265.09808	12.8
265.13342	79.6
266.10617	7.9
266.14078	8.7
267.11472	7.4
267.14883	8.5
269.12979	3.7
275.11819	4.5
277.09720	12.2
277.13309	6.9
278.10596	13.1
278.14044	2.0
279.11292	43.6
279.14429	3.3
280.12061	10.6
281.12830	10.1
282.13611	1.7
283.10794	9.8
283.14145	2.7
285.12350	4.7
288.12222	1.8
289.13312	2.1
291.11313	13.9
292.12085	7.3
293.09518	2.0
293.12808	36.0
294.13614	3.8
295.10703	6.8
295.14395	13.9
296.11566	5.4
297.12286	16.3
298.13138	4.6
299.13943	10.3
305.12781	3.2
307.10812	4.1
307.14438	2.7
309.12326	20.0
310.13068	4.9
311.13916	57.8
312.14694	2.6
313.12158	2.0
313.15607	8.7
319.11002	7.8
319.14182	2.5
320.11398	2.1
321.12286	20.3
323.10245	2.2
323.13821	5.7
325.11630	3.0
325.15359	3.3
337.11749	7.2
337.15421	2.5
338.12665	4.6
339.13388	18.3
340.14127	1.9
341.15027	5.7
344.13828	4.3
345.11725	1.8
351.13467	7.1
353.15002	16.2
355.16580	4.3
356.13739	1.9
357.14780	3.1
358.15527	3.8
369.14456	13.2
370.15350	2.9
371.16052	21.4
372.17099	5.0
381.14435	5.8
383.16260	3.1
385.13040	2.1
386.18613	3.3
393.14258	2.7
395.16202	3.5
400.16669	4.6
405.14420	2.0
411.15442	5.0
413.17337	8.2
414.18433	7.5
416.19571	6.1
417.15338	3.1
418.16974	2.5
419.16171	2.5
421.17764	2.1
423.15491	4.5
427.18796	3.3
430.17957	1.9
432.19247	6.8
434.20566	2.1
435.15466	8.6
437.17075	11.9
438.16904	1.9
441.16403	5.4
442.17349	4.8
447.15460	3.8
453.16623	9.4
454.17163	2.6
455.18256	18.2
460.18539	5.9
463.04233	2.0
463.15121	7.4
464.15598	2.3
465.16684	12.1
471.17645	3.0
473.19406	2.7
474.20181	10.9
478.19647	2.3
479.17792	2.4
480.20825	3.1
481.16168	14.4
482.16669	5.2
483.17615	19.0
492.21713	7.9
492.40970	1.8
494.23032	4.4
495.17563	6.2
497.19180	14.2
501.18604	2.6
513.18707	24.0
514.19403	5.6
515.20325	39.3
516.20752	2.1
517.21625	2.5
534.22473	15.5
540.21326	3.6
542.22803	3.3
543.19867	4.4
544.20673	2.1
545.21320	7.2
556.63232	1.7
558.22522	7.6
560.23706	1.7
566.21161	2.5
568.20819	7.0
575.22345	16.0
576.23022	5.1
577.24060	29.5
586.21899	32.3
588.23395	8.0
594.24292	5.3
600.23425	59.8
601.24573	6.5
602.25024	2.5
604.22815	17.0
606.24561	10.5
613.22681	4.2
618.24481	83.1
619.24933	14.9
620.25732	7.9
636.25519	100.0
637.25702	6.8
655.27209	2.1
666.26538	71.5
667.27240	2.1
675.29810	4.0
691.27325	5.3
698.29211	60.8
699.29297	3.2
709.28833	14.9
723.29944	27.4
727.29053	7.3
741.31213	29.3
745.30896	2.5
759.32526	11.1
777.33380	11.1
839.34149	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	839.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48350	1.7
61.02942	2.1
67.05492	7.6
69.03426	7.8
69.07069	4.0
69.33398	16.7
70.06589	4.9
71.04996	2.1
73.02913	4.8
79.05492	5.3
81.03417	13.3
81.07047	8.3
83.04972	2.3
85.02895	10.9
87.04445	1.9
91.05482	4.3
93.07055	5.0
94.06576	6.6
95.04966	4.6
95.08612	5.6
97.02886	5.5
97.06493	2.1
98.97584	2.0
99.04449	3.6
103.05444	3.2
105.07066	4.2
107.08582	2.0
108.08147	10.2
109.02877	8.3
109.06545	2.1
109.10157	3.1
110.06065	2.1
119.04951	2.9
119.08620	2.7
120.08114	6.4
121.10168	2.1
122.06047	17.9
123.04391	4.6
124.07587	3.1
127.03919	7.2
131.04944	2.8
131.45819	1.9
134.06009	5.0
135.04430	1.7
136.07603	12.7
137.05948	6.4
140.07057	7.2
145.02795	2.6
145.06438	2.8
146.06024	7.0
148.07597	10.1
149.05937	2.0
150.09219	2.6
151.07526	3.4
153.05437	2.3
160.07533	3.7
161.06065	1.9
164.07074	8.4
166.08652	5.3
167.07069	9.0
172.03963	2.8
174.05537	5.6
177.05417	2.6
181.04976	3.7
190.04994	3.6
202.08614	3.8
204.06602	5.0
206.08130	3.1
207.06503	2.1
208.09798	2.5
209.10678	2.2
210.11409	2.5
211.08585	2.1
211.12361	2.8
213.10313	3.0
221.10762	3.2
222.11440	5.0
223.08600	9.4
223.12260	6.5
224.13078	4.5
225.10223	22.3
225.13879	7.0
226.10948	4.7
227.11858	5.9
230.11765	5.0
233.08124	2.0
234.08957	3.4
234.11426	3.4
235.08696	10.1
235.12323	4.0
236.09410	9.9
236.12987	2.2
237.10248	23.9
237.13850	8.6
238.10942	16.9
239.11810	29.4
240.12570	8.4
241.13332	3.8
247.12329	2.7
248.09329	5.1
248.13033	2.6
249.10255	19.9
249.13919	2.3
250.10988	29.4
251.08136	6.9
251.11810	92.3
252.12602	11.1
253.09694	5.5
253.13376	23.3
254.14018	4.8
255.11327	2.2
262.10947	3.8
263.08878	3.6
263.11789	38.5
264.08856	2.9
264.12625	11.4
265.09811	14.2
265.13367	100.0
266.10611	9.6
266.14090	9.8
267.11414	10.4
267.14899	9.6
268.12173	3.3
269.12979	4.2
275.11850	3.9
276.12698	4.3
277.09637	9.5
277.13397	7.5
278.10379	10.4
279.11285	55.6
280.12003	8.6
281.09888	3.5
281.12756	12.0
283.10828	14.4
283.14392	5.3
285.12527	4.7
289.13483	4.5
291.08197	2.3
291.11343	15.1
291.14276	2.8
292.11969	6.4
293.09659	4.1
293.12833	46.1
294.13666	3.8
295.10843	4.1
295.14386	14.3
296.11536	5.8
297.12329	18.0
298.13129	9.4
299.13882	10.0
305.09198	2.0
305.12756	2.8
307.10678	5.3
307.14191	2.8
309.12341	18.9
310.13040	6.9
311.13904	64.4
312.14468	3.3
313.15381	10.0
319.10733	7.0
319.14291	2.4
321.12363	24.2
323.10260	1.9
323.13998	6.3
325.11865	2.7
325.15518	3.8
335.13699	2.7
337.11707	6.2
337.15320	2.2
338.12515	3.2
339.13464	18.1
341.15250	9.0
344.13898	2.7
351.13425	6.0
352.14066	3.0
353.15024	23.5
355.16473	3.3
369.14481	14.6
370.15387	3.7
371.16052	30.3
372.16888	5.1
381.14212	5.9
383.16031	6.0
385.13223	2.6
388.16245	2.7
393.14197	3.2
395.15945	2.5
400.16504	3.0
411.15399	6.0
413.17072	10.6
414.18115	7.5
416.19589	3.9
417.15179	2.2
423.15256	2.9
425.17166	3.2
427.18823	3.0
432.19339	5.6
433.19543	2.3
435.15439	5.5
437.17108	18.0
438.17844	2.2
439.18890	4.0
441.16483	4.8
442.17368	6.7
447.15491	2.6
453.16629	8.5
455.18173	27.2
460.18643	4.3
462.19901	2.7
463.14999	6.1
465.16580	21.4
471.17603	2.2
473.19016	5.2
474.20120	9.7
479.17752	3.3
480.21155	4.8
481.16092	13.0
482.16687	7.3
483.17578	32.1
492.21121	10.6
494.22629	6.7
495.17569	3.5
497.19196	40.5
501.18695	3.5
513.18829	20.2
514.19324	2.5
515.20325	75.0
517.21991	4.2
534.22345	12.6
540.20959	5.6
542.22699	4.1
543.19659	4.6
545.21417	21.1
546.22101	2.0
558.22125	8.8
559.28448	5.2
560.24463	2.8
566.21313	4.1
568.20563	8.9
575.22675	15.3
576.23145	5.9
577.23987	83.0
583.25494	3.9
586.21808	26.7
588.23303	8.5
600.23480	59.1
601.24695	5.6
602.25153	3.3
604.22925	18.3
605.23212	3.4
606.24335	13.7
613.22614	5.3
615.27588	5.6
618.24432	72.5
619.24976	11.0
620.26404	8.7
622.23401	2.7
624.25372	5.6
636.25519	88.4
637.26056	8.6
638.26556	5.4
654.26825	2.8
655.27216	3.8
656.27777	4.4
666.26587	57.0
667.26501	2.8
675.29883	5.6
691.27930	3.3
698.29352	62.7
699.28052	3.1
709.28723	15.8
723.30225	18.2
727.30011	10.8
741.31348	28.8
745.30292	4.9
759.32178	11.7
763.32513	2.6
777.33282	12.6
839.35107	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	839.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37258	1.5
65.03945	1.6
67.05484	7.3
69.03422	6.8
69.07075	3.6
69.21253	1.9
69.23476	7.7
69.23896	9.1
70.06571	4.5
71.04975	2.0
73.02910	4.1
79.05513	4.2
81.03422	10.1
81.07045	4.1
85.02904	13.3
91.05479	6.8
93.07024	6.7
94.06563	6.3
95.04939	4.2
95.08602	3.2
97.02895	9.2
97.06540	2.5
99.04479	3.6
105.07019	3.0
107.08554	1.8
108.08121	7.5
109.02891	9.0
109.10162	2.1
115.05379	1.7
120.04453	1.9
120.08087	4.2
121.06488	2.2
122.06025	19.9
123.04405	2.0
124.07577	2.4
127.03925	5.0
133.10165	2.8
134.06009	5.6
136.07574	11.2
137.05994	5.9
140.07043	5.5
140.84999	1.5
146.06015	6.2
148.07581	13.9
150.09100	2.3
151.07582	2.5
160.13026	2.1
163.03979	2.9
164.07053	6.4
166.08707	3.2
167.06992	11.0
173.05997	2.5
174.05481	5.7
174.09094	2.2
176.07016	2.4
181.05016	3.9
190.04993	3.6
198.09218	2.4
202.08615	2.9
204.06532	3.5
211.08679	3.5
211.12186	4.0
213.10274	2.6
214.08659	1.9
221.10750	2.0
223.08667	9.8
223.12144	8.7
224.13116	2.7
225.10252	32.1
225.13850	7.1
226.10904	4.9
227.11787	6.2
230.11772	5.1
234.09134	2.2
235.08600	8.5
235.12210	6.3
236.09360	6.3
237.10249	23.8
237.13834	9.9
238.10957	13.6
239.11844	24.3
239.15508	2.9
240.12563	11.0
241.09781	2.6
241.13379	5.5
247.08180	2.0
248.09486	6.6
249.10245	18.4
249.13956	2.3
250.10995	26.2
251.08089	5.4
251.11809	76.2
252.12538	14.2
253.09750	4.8
253.13342	24.1
254.14133	4.1
262.11145	2.1
263.08875	3.7
263.11807	44.8
264.09396	3.5
264.12515	12.8
265.09766	17.7
265.13345	83.7
266.10596	9.7
266.14087	7.8
267.08728	1.7
267.11200	10.3
267.14709	8.6
268.12088	2.7
269.12833	3.6
275.11862	3.8
277.09653	9.7
277.13315	5.5
278.10428	12.4
279.11310	50.3
280.12024	10.3
281.09918	3.0
281.12805	13.6
282.13608	3.6
283.10684	11.0
283.14111	4.3
284.11429	2.8
285.12341	3.1
291.11264	15.2
292.11996	5.5
293.09494	2.0
293.12814	42.3
294.13608	4.5
295.10794	5.8
295.14398	11.7
296.11475	3.8
297.12381	14.9
298.13141	5.9
299.13858	10.9
301.13272	2.7
305.09384	2.9
305.12659	3.3
307.10739	3.4
309.12396	16.2
310.13074	4.4
311.13898	60.5
312.14532	5.8
313.15506	9.0
319.10800	7.9
319.14200	2.9
321.12387	21.6
323.10385	2.0
323.13928	6.2
335.13983	3.1
337.11798	7.4
337.15549	3.2
338.12408	2.5
339.13510	15.3
340.14297	2.6
344.14178	3.0
351.13397	6.7
352.13870	3.0
353.15106	16.6
355.16553	4.2
357.14307	3.2
358.15802	2.3
361.15744	2.2
367.12656	2.3
369.14713	10.3
370.15366	5.3
371.16098	24.5
372.16885	5.1
381.14542	3.2
383.15701	2.9
386.18677	4.1
395.15836	3.1
399.15530	1.9
400.16431	5.1
411.15454	5.3
412.16660	2.7
413.17075	11.8
414.18442	9.6
416.19492	4.9
419.16000	3.3
423.15384	3.0
432.19086	5.3
435.15500	7.8
437.16953	12.5
440.15979	2.3
441.16464	5.8
442.17422	6.3
447.15546	4.4
453.16342	8.2
454.17529	2.2
455.18048	17.9
460.18805	4.3
463.14868	8.6
465.16544	14.3
473.19144	4.7
474.20306	9.0
479.18304	3.6
480.21335	3.1
481.15906	12.8
482.16586	3.7
483.17679	17.5
492.21283	7.5
494.22659	2.3
495.17517	6.6
497.19257	19.7
502.19769	3.2
513.18646	18.6
514.19391	4.6
515.20300	34.1
516.21289	2.9
517.21826	3.1
527.20416	2.3
534.22198	14.1
535.23181	2.3
540.20978	6.4
542.22345	2.2
543.19922	4.6
544.20520	2.4
545.21490	9.8
558.22137	7.5
559.28204	4.5
560.24225	4.0
568.20544	6.8
575.22333	17.0
576.22998	6.8
577.23975	33.0
583.25690	2.2
586.21649	28.1
588.23071	6.7
594.24548	4.0
600.23370	60.3
601.24738	6.8
604.23047	20.9
606.24255	12.1
611.24774	2.3
613.22534	5.5
615.28033	4.8
618.24500	82.3
619.25439	11.0
620.25232	6.2
624.25342	3.1
636.25549	100.0
637.25500	6.0
638.26965	2.5
666.26581	66.0
675.29675	5.1
681.30194	2.2
691.27155	5.1
698.29169	71.0
699.28394	2.6
709.28693	12.9
723.30371	22.5
724.30481	3.0
727.29761	9.2
741.31268	35.3
745.30017	5.2
759.31720	9.8
777.33087	12.2
807.33575	2.0
839.35181	6.3
871.41168	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	838.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	2.2
61.02910	2.0
65.03938	4.2
67.05508	68.3
69.03433	12.3
69.07071	35.4
69.95902	2.7
69.96296	3.4
71.04978	4.2
71.08629	2.0
72.50800	1.2
77.03909	2.5
78.53664	1.3
79.05497	61.3
81.03432	7.0
81.07059	54.1
83.05001	7.8
83.08620	18.3
85.02868	2.6
85.06523	2.0
87.04469	3.4
87.96355	1.4
91.05482	65.6
93.07050	61.9
95.04980	13.4
95.08612	36.9
97.02888	10.3
97.06547	8.8
97.10175	22.3
103.05452	4.1
105.04502	2.4
105.07031	63.1
107.04952	11.0
107.08594	41.6
109.06518	6.1
109.10167	21.9
111.08080	3.6
115.05428	4.5
117.07030	22.3
119.04921	2.6
119.08587	54.0
121.06504	6.1
121.10157	23.3
123.08074	5.1
123.11721	4.3
125.09634	16.2
127.03894	2.1
128.06224	4.7
129.05501	2.0
129.07005	16.9
130.07808	2.0
131.08580	31.0
133.06493	2.4
133.10132	38.4
135.08072	6.5
135.11690	12.8
136.06169	3.4
137.09618	3.7
139.11127	1.8
141.06978	3.7
143.08559	15.0
143.97606	1.3
145.06459	1.5
145.10138	22.7
147.08061	6.1
147.11690	30.5
149.09625	6.4
149.13249	8.7
151.11232	2.8
153.09091	2.5
155.08546	6.1
157.10141	13.9
159.11684	18.3
161.09657	3.8
161.13263	18.4
163.11186	3.9
163.14743	1.3
165.06995	1.7
165.09177	1.8
165.12718	2.5
167.08514	1.5
169.10112	5.8
169.12187	1.4
171.10260	2.8
171.11627	14.9
173.09608	1.8
173.11940	1.6
173.13228	8.3
175.11189	3.8
175.14847	10.4
177.12756	2.1
179.08655	1.5
181.10136	3.2
183.11731	6.2
185.13269	11.4
187.14920	1.5
189.11259	8.6
189.12659	1.7
195.11742	2.4
195.13701	1.2
197.13297	2.1
199.14847	6.2
201.12724	1.4
204.81999	1.5
205.62177	1.4
209.13342	2.1
211.14879	3.1
213.16469	2.7
215.17877	2.3
223.13246	18.7
223.15086	1.9
225.16414	2.0
227.12793	13.3
227.17960	2.1
231.17467	1.9
231.21040	4.0
239.17972	4.4
241.19524	21.0
245.13635	1.9
249.14871	4.8
253.19437	1.7
257.19016	5.9
259.20602	44.2
263.06696	1.4
269.17435	1.7
273.18497	11.3
275.20059	15.9
289.17978	1.5
291.19543	100.0
292.19785	2.5
297.21930	1.8
299.23590	2.7
315.23282	7.4
331.22647	3.3
333.24237	53.6
335.25632	4.8
349.23798	8.6
365.23242	37.8
367.24411	1.4
379.29922	4.2
433.31473	1.5
511.34619	1.6
525.35876	12.5
529.35205	5.0
531.38715	3.3
543.36804	20.9
549.39124	2.4
554.36047	1.4
605.41882	8.4
623.43018	67.0
624.43201	1.7
641.44269	9.3
678.74304	1.4
687.40955	1.4
688.53601	1.7
785.47296	1.7
838.52118	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	838.531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	2.4
65.03934	6.3
67.05511	82.9
69.03426	10.3
69.07070	45.3
70.25894	9.4
71.04972	6.4
77.19489	2.3
79.05499	92.0
81.03416	12.2
81.06580	3.7
81.07059	68.7
83.04993	21.1
83.08633	19.7
85.02914	3.8
85.06545	4.4
87.04476	12.4
91.05483	75.4
93.06479	4.9
93.07053	69.1
95.01326	4.4
95.04977	13.6
95.08611	42.3
97.02875	5.5
97.06544	22.9
97.09695	2.2
97.10184	20.6
98.21415	2.4
103.05533	2.5
105.04493	3.1
105.07039	76.3
107.04972	27.8
107.08600	69.6
109.02964	2.2
109.06519	8.1
109.10163	32.0
111.04435	2.3
111.08080	5.7
117.07025	30.0
119.08586	55.3
121.06499	8.9
121.10149	25.5
123.08065	5.8
123.11730	3.6
125.09633	17.3
127.03851	2.7
129.07021	11.8
131.08569	36.5
133.09126	2.5
133.10141	48.9
135.08051	9.3
135.11696	11.4
136.06181	10.1
137.09618	3.2
141.06979	2.7
142.07733	2.8
143.08557	10.1
145.10133	29.3
147.08044	4.4
147.11696	28.3
149.09636	41.7
149.13260	8.0
151.11153	3.0
153.09090	2.9
153.12631	2.7
155.08548	3.1
157.10133	9.6
159.11705	16.2
161.09569	4.0
161.13321	12.0
163.11186	7.2
163.14847	3.8
165.09161	3.2
169.10104	6.3
169.12196	4.2
171.11658	6.6
173.09724	2.5
173.11826	3.5
173.13274	11.7
175.14821	4.0
177.12778	2.6
179.14322	6.0
183.11679	7.0
185.13261	7.7
187.11157	4.9
187.14812	3.6
189.11221	9.2
189.12741	2.3
189.73048	2.4
197.13260	3.3
205.12393	2.7
209.15343	5.5
213.16415	3.3
219.17439	5.7
223.13228	5.2
227.12852	22.6
229.14340	4.5
229.19487	3.0
231.01534	2.8
239.17886	4.2
241.19604	6.5
247.20566	3.4
257.19043	17.5
259.20636	15.8
269.17505	6.6
273.18387	3.3
275.20096	100.0
291.19604	42.4
293.21219	4.1
313.27313	3.0
331.22687	5.0
333.24249	17.8
349.23752	73.5
365.23132	12.4
381.02698	2.3
503.33817	20.6
525.35822	4.7
529.34955	11.5
543.36871	30.0
556.22290	2.5
605.41833	5.6
623.43060	94.5
624.42883	3.9
641.43921	8.7
676.47052	6.3
777.60248	2.3
838.52338	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	836.5944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	12.6
66.72105	1.1
67.05498	4.0
69.03401	1.3
69.07057	3.2
71.08634	58.5
73.02910	3.5
73.06561	6.7
73.98569	1.1
79.05490	3.2
81.07053	3.7
83.08611	3.0
85.02893	1.5
85.10188	34.9
85.80338	1.0
87.04478	22.6
89.06034	100.0
91.05483	2.3
93.07043	2.7
95.08604	2.8
97.10171	2.0
103.07587	7.2
105.07036	2.5
107.07043	1.3
117.09113	4.4
117.09866	1.3
127.14832	4.1
130.08649	3.0
131.07053	6.5
133.08611	74.8
134.08920	1.2
141.16368	1.5
153.69429	1.2
157.08582	1.4
161.11774	1.2
175.09688	6.0
177.11229	32.8
185.18993	5.8
217.14404	3.4
219.12334	2.2
221.13832	8.1
223.15456	1.4
229.21645	7.2
240.06100	1.3
265.16522	1.8
309.18927	1.8
327.19974	1.3
330.95432	1.2
349.86090	1.3
353.21893	2.2
380.58173	1.2
477.35538	2.2
635.37915	4.0
674.47064	1.4
836.57916	7.2
853.50891	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.6151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	26.8
67.05495	1.3
69.07069	2.3
71.08632	94.8
73.02912	1.7
73.06554	3.9
75.09201	0.5
77.15778	0.5
79.05490	1.1
81.07037	1.5
83.08609	2.0
85.06570	0.8
85.10184	75.7
87.03925	0.8
87.04469	20.1
89.06032	100.0
95.04973	0.7
95.08587	1.4
97.10172	3.9
99.11118	1.1
99.11734	12.9
101.05995	1.0
101.09661	1.8
102.08630	0.5
103.07598	1.7
105.65341	0.5
107.07070	2.3
111.11755	1.2
113.05992	0.8
113.13296	5.4
117.09135	7.9
121.10098	0.9
122.81642	0.6
122.95365	0.5
130.08638	4.1
131.07042	8.1
133.08606	78.3
134.08952	0.6
135.10161	0.9
144.26831	0.5
147.10112	0.8
155.17957	11.9
161.11749	1.9
173.11632	0.7
175.09676	6.3
177.11229	35.5
179.12717	0.6
191.12776	1.1
213.22131	19.5
219.12267	2.8
221.13834	8.7
223.15479	0.7
223.70918	0.6
235.15314	0.6
239.14882	1.1
254.24753	2.1
256.09735	0.6
263.14780	0.9
265.16385	2.6
267.17804	0.6
271.26297	10.2
272.20026	1.0
283.17398	2.2
309.18915	2.5
313.27304	1.4
327.20230	2.1
330.68872	0.7
353.21555	2.1
355.77161	0.7
360.28903	1.4
371.22720	1.1
397.24359	1.0
415.25092	0.8
459.27750	1.3
503.30090	1.5
529.32172	1.3
547.25378	0.8
547.33136	13.7
587.35956	1.7
605.37195	1.3
817.59332	0.9
834.61566	12.3
836.71112	0.6
855.18561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	12.1
61.02924	2.3
67.05514	5.3
68.99789	2.5
69.03425	15.1
69.07069	32.5
70.06582	2.3
71.04988	3.6
71.08620	4.4
71.55027	0.8
73.02911	2.9
79.05486	2.2
81.03421	17.1
81.07060	12.3
83.04971	4.1
83.08620	100.0
84.08111	0.8
85.02901	29.4
86.09724	0.8
87.00839	12.4
87.04482	3.9
87.04944	1.0
87.08102	1.1
89.02369	0.8
89.06031	38.5
91.05482	3.1
93.07040	5.3
95.04997	4.6
95.08598	8.6
97.02892	12.6
97.06538	4.1
97.10170	33.0
99.04458	7.0
101.06013	2.4
103.03896	0.9
103.07586	3.6
105.01868	7.4
105.07047	1.8
107.08589	3.9
109.02882	26.5
109.06563	1.3
109.10139	2.7
111.04436	5.5
111.08081	1.2
111.11701	2.8
113.05949	1.0
117.01849	2.3
117.07030	1.1
117.09130	5.4
119.08580	1.3
121.06516	2.1
121.10173	0.8
125.05994	1.8
127.03923	23.7
129.01839	3.2
131.07074	1.3
133.08609	29.5
133.10104	1.1
135.11678	6.8
137.05980	3.8
137.13237	1.2
139.14792	1.1
143.14314	1.0
145.04968	5.8
147.10152	1.2
149.05986	1.8
151.09676	1.0
153.12747	6.5
155.14302	5.5
157.15880	25.0
159.02898	4.3
161.11664	1.6
167.07010	3.8
171.13824	6.6
171.17395	1.2
175.09659	1.4
175.16913	6.8
177.11209	10.4
185.08141	1.6
189.03893	0.8
191.12784	2.8
195.12267	1.5
197.15382	2.3
201.18646	1.1
211.12479	0.9
213.03961	7.1
215.16743	1.0
215.20062	26.9
219.12239	0.8
221.13863	5.9
229.18024	3.0
229.21616	1.4
231.05022	5.8
233.21176	1.5
239.14883	16.3
249.05957	1.1
259.22772	0.8
273.24237	25.9
279.18033	4.3
283.17307	6.2
287.22220	1.1
289.09109	2.3
291.25415	2.2
297.19058	15.0
323.20810	0.9
331.28293	5.5
337.22076	4.6
341.21750	3.2
355.23288	5.5
369.19272	1.5
395.26257	2.3
427.23416	1.5
475.26758	1.2
508.23950	1.0
551.39026	1.3
569.42749	15.1
834.47211	5.2
867.06122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	42.0
67.05499	1.3
69.07066	2.8
71.08636	100.0
73.02905	0.7
73.06561	1.9
77.60183	0.8
79.05500	0.9
81.07037	1.7
83.08616	3.1
85.10187	95.5
87.04478	14.4
89.06038	67.6
89.06481	1.1
89.37656	0.7
91.05502	0.9
93.07068	0.8
95.08539	0.9
97.10185	1.6
99.11735	12.0
101.09658	4.0
102.43469	0.8
103.07594	2.4
107.07082	0.8
111.11733	1.1
115.49487	0.8
117.09149	12.1
130.08653	2.3
131.07063	4.5
133.08609	56.5
141.16400	9.8
166.08582	1.4
175.09662	4.2
177.11227	23.9
179.11086	0.7
199.20580	26.2
216.02301	0.8
219.12254	1.3
221.13852	5.2
223.15485	0.9
239.14897	1.0
240.23213	1.9
257.24750	28.9
265.16653	1.0
272.20114	3.4
280.40625	0.9
283.17523	1.9
309.19046	1.2
315.29083	0.9
327.20123	2.0
340.34790	0.9
353.21710	0.9
360.29111	3.8
366.59006	0.8
371.22565	0.9
415.25174	0.9
421.75711	0.9
459.27872	1.2
503.30719	11.5
543.33521	1.6
561.34668	1.5
563.58545	1.0
578.37329	0.9
834.46729	1.1
834.61389	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	834.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	12.7
61.02917	3.8
65.03940	0.7
66.02594	0.7
67.05507	6.2
68.99795	2.4
69.03075	1.4
69.03429	19.3
69.07068	51.0
70.06585	2.5
71.01341	1.3
71.04985	3.0
71.08633	17.1
71.37865	1.3
73.02926	3.6
73.06577	0.8
79.05491	4.1
81.03421	24.3
81.07057	8.2
81.43285	0.9
83.04991	5.3
83.08621	78.5
85.02906	39.8
85.06538	1.9
85.10168	1.4
86.09717	0.8
87.00832	17.8
87.04476	7.2
89.06033	65.6
91.03944	1.3
91.05477	1.8
93.07026	6.5
95.04976	4.8
95.08610	10.5
95.80177	0.7
97.02892	15.5
97.06538	3.4
97.10172	100.0
99.04460	7.5
101.06031	2.3
103.03949	1.8
103.07585	1.8
105.01868	8.2
105.07046	1.3
107.07063	1.5
107.08601	3.2
109.02882	27.9
109.10171	3.1
111.04427	6.5
111.08080	2.0
111.11723	18.9
113.06021	1.6
117.01842	2.3
117.09124	3.9
119.08549	0.9
121.06511	2.9
121.10199	1.5
121.53021	0.7
123.11726	1.1
125.06003	1.9
125.13283	0.7
127.03919	25.5
129.01851	2.6
130.08636	1.6
131.07008	3.7
133.08603	49.4
135.11697	1.8
137.05978	1.4
145.04976	5.3
145.08604	1.2
147.02904	1.3
147.10182	2.8
149.05984	1.5
149.13254	7.5
151.14822	1.5
153.16388	1.4
157.15884	2.2
159.02875	5.4
165.33681	0.7
167.07103	2.9
167.14330	5.4
169.15878	4.7
171.02937	1.0
171.17448	37.8
175.07651	1.0
175.09683	3.2
177.11226	31.2
184.07335	0.8
185.08115	2.2
185.15373	4.7
189.04018	2.6
189.18520	9.7
191.12794	1.6
195.12283	1.1
211.16895	8.2
213.03955	4.8
215.20073	2.8
219.12328	1.0
221.13884	5.4
229.18039	2.2
229.21625	29.8
231.03040	0.9
231.04976	4.6
235.15430	1.0
237.17062	1.2
239.14996	4.2
247.22632	1.7
265.16562	4.4
269.21167	0.9
271.08054	1.2
273.24261	1.3
279.19833	1.1
283.17502	37.4
287.25812	17.2
289.09351	3.8
297.20883	0.9
313.27444	0.9
323.20633	9.7
327.20154	3.4
333.13492	0.8
341.21713	20.5
355.23776	0.8
381.24860	7.6
399.26068	1.8
441.24634	1.5
551.38434	1.2
569.42688	30.8
570.43512	0.8
619.30994	1.1
834.50134	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	830.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02891	0.4
67.05454	0.8
69.03384	0.4
69.07043	0.4
70.80980	0.5
73.02865	0.7
74.10416	0.2
79.05456	0.6
81.07004	0.8
83.92936	0.2
85.02871	0.4
90.03091	0.2
91.05437	0.8
93.07008	0.4
95.08584	0.4
97.02827	0.3
105.06998	0.3
111.67303	0.2
117.05710	1.0
118.06549	7.6
120.08021	0.3
130.06517	1.1
130.77464	0.2
131.07318	2.1
132.08101	4.2
133.08821	0.7
134.09608	0.8
144.08098	1.1
145.08829	0.4
146.09648	3.6
148.11166	0.6
158.09636	0.4
160.11221	2.3
162.09152	10.9
172.11246	0.6
174.09120	0.7
174.12761	0.7
176.10716	14.2
177.11510	2.7
178.12184	0.4
186.12689	0.6
187.69736	0.3
188.14224	0.5
190.10617	0.4
190.12274	6.5
191.12996	0.7
202.16043	0.4
204.13840	4.4
218.15419	0.7
232.16940	1.1
244.20624	2.4
246.18570	0.6
260.20016	1.2
272.20102	24.6
273.20407	0.3
288.23184	0.4
290.21164	5.4
296.34497	0.2
304.19391	0.4
304.22696	2.8
316.22717	2.3
332.25873	0.4
334.23770	88.9
335.23956	1.5
339.72107	0.3
346.23727	0.8
348.15170	0.3
360.25195	0.4
363.14670	0.3
364.24689	0.4
374.27005	1.8
390.26404	4.4
473.59363	0.3
514.37305	0.3
552.31738	10.9
553.32037	0.4
668.49011	5.6
669.49884	0.4
830.54120	100.0
831.54102	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	830.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02893	0.4
67.05508	1.4
69.03386	0.7
69.07036	0.6
69.71856	1.1
71.01278	0.2
73.02898	0.4
76.42085	0.2
79.05487	0.9
81.07000	0.8
84.46939	0.2
85.02869	0.5
91.03938	0.3
91.05431	0.7
93.07004	0.7
95.08560	0.7
95.64999	0.2
97.02852	0.4
98.21453	0.4
105.06993	0.3
106.05966	0.2
106.06566	2.5
106.43935	0.2
107.07323	0.5
107.08542	0.3
115.05466	0.3
117.05760	1.2
118.06554	5.6
119.07335	0.3
120.08066	0.4
129.06995	0.3
130.06512	0.8
131.07326	2.7
131.08424	0.3
132.07176	0.3
132.08102	3.5
132.58369	0.2
133.08820	0.6
133.09929	0.2
134.09604	0.8
136.06155	0.3
144.08147	0.9
145.08856	0.5
146.09668	4.2
147.10359	0.2
148.11177	0.6
151.09911	0.7
158.09634	0.3
159.10446	0.3
160.11227	4.3
161.12051	0.3
162.09158	11.1
162.12738	0.5
163.09869	0.5
164.10748	0.3
172.11189	1.1
173.11916	0.3
174.09108	0.4
174.12764	0.9
175.09857	0.3
176.10728	8.0
177.11499	1.8
186.12766	0.4
188.10689	0.3
188.14284	0.3
190.12282	17.9
191.12856	0.3
192.13791	0.2
202.15955	0.4
204.13858	3.1
205.14612	0.4
206.15353	0.6
218.15462	2.1
230.15427	0.3
232.16960	1.1
232.18942	0.2
244.20636	4.8
246.18567	0.7
260.20172	0.9
265.80798	0.2
270.63953	0.2
272.20117	27.8
273.20502	0.5
274.21655	0.2
288.23340	0.6
290.18030	0.2
290.21167	2.9
290.24210	0.3
304.22729	2.3
316.22708	1.9
326.17499	0.2
332.25992	0.2
334.23782	93.4
335.24033	1.5
344.25912	0.3
346.23849	1.4
360.25461	0.3
364.24759	0.6
368.27963	0.2
374.26941	1.5
390.26477	3.2
552.31750	8.7
553.32513	0.2
668.49072	4.3
785.37036	0.2
830.54163	100.0
831.54425	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	830.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02883	0.7
67.05513	0.9
69.03398	0.5
71.24044	0.2
71.24363	0.2
73.02869	0.6
79.05440	0.7
81.03382	0.2
81.07069	0.8
85.02847	0.5
86.09668	0.3
91.05426	0.8
93.06994	0.7
95.08553	0.5
97.02841	0.5
99.34376	0.2
105.06945	0.2
106.06545	1.5
107.07278	0.5
107.08509	0.2
112.62486	0.2
115.05434	0.2
117.05688	0.8
117.71184	0.2
118.06544	5.8
119.08609	0.2
120.08065	0.3
121.10098	0.3
129.06984	0.2
130.06543	1.3
131.07330	2.0
132.08096	3.1
133.08810	0.8
133.10149	0.2
134.09615	0.9
144.08040	0.9
145.08873	0.4
146.09630	3.9
147.10370	0.3
148.11131	0.3
150.09096	0.2
151.09854	0.7
158.09618	0.6
159.10382	0.2
160.11218	4.0
161.11971	0.2
162.09140	11.2
162.12715	0.6
163.09848	0.6
164.10695	0.2
172.11232	0.9
174.09076	0.5
174.12756	0.7
175.09821	0.2
176.10707	9.9
177.11481	1.9
178.12245	0.4
186.12805	0.3
188.14304	0.6
190.12265	15.2
191.12952	0.3
192.13824	0.3
202.15932	0.4
204.13840	4.0
205.14560	0.3
206.15379	0.3
218.15359	1.5
230.15610	0.2
232.16982	0.9
244.20613	3.9
246.18605	0.9
260.20102	0.9
261.70227	0.2
272.20084	25.7
273.20322	0.5
274.21671	0.2
288.23285	0.3
290.21146	3.7
292.19070	0.2
304.22726	2.1
316.22656	1.8
332.25809	0.3
334.23746	100.0
335.23923	1.3
346.23633	1.2
358.23804	0.2
360.25394	0.4
364.24734	0.5
374.26859	2.4
390.26379	4.2
406.26556	0.2
552.31671	9.6
624.33716	0.3
668.37408	0.3
668.48828	5.4
830.54071	99.0
831.54156	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	827.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.5
64.93105	0.5
67.05511	6.0
69.03429	3.4
69.07072	1.8
71.01351	0.5
71.56732	0.7
73.02924	5.0
79.05502	4.8
81.03424	2.2
81.07059	5.2
83.08621	1.4
85.02911	5.8
91.03968	2.8
91.05478	2.8
93.07059	4.0
95.04994	0.6
95.08624	4.0
97.02901	5.1
97.10172	0.7
99.04460	1.0
101.02391	1.2
105.07043	1.8
107.08628	3.0
109.02890	1.3
109.06517	0.8
109.10181	1.7
117.07069	0.6
119.08594	0.9
121.10169	1.7
125.09643	0.6
127.03949	1.2
131.08537	0.7
135.11734	0.9
138.07428	0.5
185.04277	0.7
210.98312	0.5
232.44724	0.5
243.08447	2.5
291.19690	0.8
320.67014	0.5
331.18744	2.7
335.26221	0.9
377.82944	0.5
410.79883	0.5
415.31836	0.6
450.95151	0.6
458.65634	0.6
519.29401	8.6
549.26520	4.5
745.66626	0.5
827.49188	100.0
828.49738	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	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02640	0.3
61.02929	4.6
67.05506	4.2
69.03432	3.1
69.07067	1.6
71.01347	0.4
71.04995	0.4
73.02919	3.6
79.05054	0.4
79.05495	5.7
81.03409	1.2
81.07056	4.2
83.04982	0.3
83.08620	0.7
85.02903	4.5
87.04484	0.7
88.32682	0.2
91.03961	3.2
91.05483	5.1
93.07050	5.7
95.04955	0.5
95.08599	2.7
97.02895	3.7
97.06565	0.3
97.10144	0.4
99.04489	1.0
100.16538	0.2
101.02379	2.0
103.03964	0.2
104.07098	0.2
105.07022	4.1
105.28479	0.2
107.08602	3.1
109.02876	0.6
109.10144	1.0
111.08155	0.2
115.03938	0.4
117.07058	0.9
119.08582	2.7
121.10154	1.8
123.11660	0.2
124.09446	0.2
127.03896	1.1
129.05482	0.3
129.07039	0.6
131.08583	1.4
133.10143	2.1
135.11702	1.3
143.08603	0.5
145.04994	0.4
145.10083	1.1
147.11688	1.6
149.13266	0.6
157.10197	0.3
159.11726	1.0
161.13278	0.6
171.11708	0.6
173.13301	0.4
175.14903	0.3
184.07405	0.3
185.04236	1.5
185.13228	0.4
196.88307	0.2
199.14886	0.3
201.03720	0.4
203.05399	0.4
217.16045	0.2
218.02321	0.2
241.06758	0.3
241.19370	0.2
243.08415	4.4
243.10735	0.4
247.13171	0.3
259.07886	0.2
259.20648	0.7
287.16446	0.2
301.09048	1.8
301.12262	0.3
313.09003	0.5
315.10434	1.0
317.20953	1.3
327.10657	0.3
333.24265	0.3
341.12283	0.4
355.13632	0.5
357.15216	0.2
369.15372	0.4
371.17133	0.2
373.11069	0.6
373.23685	0.6
383.16940	0.3
385.18512	0.5
397.18137	0.3
415.24713	0.3
423.51578	0.2
429.17026	0.3
433.96933	0.2
465.21060	1.7
495.21973	0.4
517.27533	0.3
525.23108	1.7
535.28809	15.8
536.29340	0.4
577.30066	0.3
607.31311	1.7
619.19012	0.2
621.32922	0.3
635.34229	0.6
677.37744	0.3
691.40283	0.6
759.41998	0.4
770.95001	0.2
791.04279	0.2
829.50720	100.0
830.51019	4.7
850.62518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	4.6
67.05506	7.4
69.03423	4.1
69.07059	2.7
71.04975	0.6
71.16608	1.2
73.02914	3.7
79.05502	6.3
81.03429	2.1
81.07059	9.2
83.04992	0.9
83.08621	1.4
85.02908	4.5
91.03952	2.4
91.05481	5.0
93.07050	6.7
94.07377	0.7
95.04984	1.1
95.08613	6.2
97.02892	3.4
97.06543	0.7
97.10176	0.9
101.02398	1.9
105.07025	4.2
107.08611	3.4
109.02884	1.4
109.06502	0.6
109.10140	3.1
111.08089	0.6
117.06999	0.9
119.08604	1.6
121.10157	2.1
123.11745	0.7
125.09653	0.6
127.03901	1.4
131.08585	1.3
133.10129	3.6
135.11652	1.0
143.08597	0.8
145.10147	1.0
149.13245	0.9
151.11160	0.7
159.11708	0.7
161.13252	0.5
173.13312	0.7
185.04306	1.2
203.05441	0.5
243.08310	2.8
246.26883	0.5
263.23886	0.4
270.32364	0.4
275.19983	0.7
276.20502	0.7
331.18881	2.5
335.25848	1.0
336.26288	1.2
337.27573	1.2
338.27527	1.1
349.23892	0.9
350.24130	0.6
387.21451	0.9
401.39435	0.5
519.29364	5.4
524.47083	0.6
530.39117	0.9
534.24518	0.5
549.26794	4.7
589.42419	0.5
611.46826	0.8
612.47589	1.8
630.47888	0.7
806.54181	0.6
809.47931	0.5
827.49133	100.0
828.49219	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	827.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	0.3
61.02933	6.1
65.03934	0.7
65.79375	0.3
67.05508	6.3
69.03431	2.9
69.07079	1.2
71.01367	0.4
71.04995	0.4
71.08642	0.6
73.02926	4.1
79.05498	4.1
81.03426	1.5
81.07064	5.2
83.08627	0.8
85.02911	5.9
85.10218	0.5
86.09746	0.3
87.04498	0.5
91.03960	3.6
91.05488	3.3
93.07047	4.4
95.04977	0.4
95.08618	4.8
97.02904	4.4
97.06538	0.4
97.10209	0.4
98.20693	0.8
99.04449	0.8
101.02364	1.9
105.07030	2.1
107.08612	2.7
109.02887	0.8
109.10157	2.8
115.03946	0.6
115.05434	0.4
117.07025	0.7
119.03986	0.4
119.08595	1.8
121.10181	1.3
123.11735	0.5
127.03947	1.5
129.07010	0.6
131.08609	1.4
133.06511	0.4
133.10153	1.0
135.08099	0.5
135.11703	1.1
143.08574	0.5
145.10199	1.1
147.11688	0.5
157.10165	0.4
171.11766	0.4
185.04240	0.4
203.05220	0.6
229.14445	1.4
230.00670	0.4
230.14781	0.8
241.06859	0.5
243.08466	2.5
313.27499	0.6
314.27637	0.7
331.18781	6.2
335.25650	0.8
405.97827	0.4
413.17984	0.6
467.37451	0.7
468.37863	1.2
519.29218	5.7
532.85077	0.4
549.26672	3.5
827.49170	100.0
828.49347	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	826.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	2.8
61.02643	0.8
61.02926	10.3
65.03933	0.8
67.05506	49.8
68.07303	0.7
69.03430	1.6
69.07070	4.6
71.04997	2.7
71.08633	14.3
73.02913	3.0
79.05485	2.0
81.03382	0.9
81.07056	13.2
83.08616	9.2
85.02897	10.8
85.06522	2.3
85.10184	7.5
89.06026	1.3
91.03950	7.8
91.05460	3.5
93.07034	2.1
93.49081	0.6
95.08047	0.9
95.08608	11.6
97.02902	5.5
97.10152	2.9
98.20958	3.9
98.21630	1.3
99.08141	0.6
103.07561	0.6
107.08580	1.3
108.35358	0.6
109.10157	59.3
111.08053	1.9
115.03909	0.8
117.06990	0.7
117.09123	0.7
119.08605	4.1
123.11672	2.4
127.03937	2.6
137.09641	2.7
137.13287	1.0
145.04938	3.2
155.10612	4.7
163.06064	3.3
173.11743	16.2
179.97327	0.5
184.07297	0.7
229.14352	100.0
229.52872	0.6
230.14822	0.7
239.23763	1.8
257.24786	1.2
313.27365	75.4
314.27692	0.8
373.18365	0.9
467.37338	62.1
468.37622	1.3
611.46460	1.4
657.60236	0.6
675.96869	0.6
691.07837	0.7
826.47510	4.6
827.48450	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	0.9
61.02913	2.6
65.03934	2.9
67.05507	47.9
69.03419	1.2
69.06718	1.3
69.07072	18.1
69.07413	0.7
70.21885	2.1
70.22282	2.1
71.04971	2.6
73.02927	1.3
79.05496	48.8
81.03410	2.9
81.07059	45.9
83.04980	2.8
83.08622	9.3
85.02911	2.7
85.06522	1.9
91.03954	1.6
91.04901	1.2
91.05486	47.3
93.07046	51.3
95.04957	4.1
95.08608	36.0
97.02899	2.3
97.06522	4.0
97.10155	3.8
99.08064	1.3
100.11280	1.3
103.05488	2.0
105.04541	2.6
105.07036	47.5
105.96371	0.9
107.08604	26.5
108.34742	0.9
109.06485	1.9
109.10152	13.0
111.08109	1.8
115.05437	3.6
117.07024	21.8
119.08587	35.6
121.06509	1.6
121.10145	19.8
123.08073	1.9
123.11708	3.5
125.09641	1.6
128.06255	4.5
129.07016	13.9
130.07759	2.4
131.08575	28.5
133.10141	25.9
135.08095	1.3
135.11694	9.7
137.13280	1.3
141.06963	5.6
142.07761	3.9
143.08566	19.1
144.09311	1.2
145.10136	24.3
147.08025	1.5
147.11691	16.4
149.09636	2.3
149.13278	5.3
155.08572	9.8
156.09348	1.7
157.10133	15.3
159.08046	1.4
159.11700	18.3
161.13264	8.5
163.11220	1.5
163.14848	2.7
165.07092	1.0
167.08585	4.6
168.09346	2.3
169.10138	12.7
170.10951	1.2
171.11714	15.3
173.13266	9.5
175.14816	3.9
175.43797	1.0
177.12770	1.0
179.08569	2.5
181.10129	7.8
183.11714	13.1
185.13245	11.1
187.14857	6.4
189.16412	2.6
191.14362	1.0
193.10176	2.4
195.11717	8.1
196.12494	1.0
197.13255	10.7
199.14864	5.0
201.16379	2.1
203.09045	0.8
203.18057	1.6
207.11688	2.2
209.13295	5.7
211.14844	7.1
213.16380	4.2
215.17993	1.7
221.13255	2.7
223.14850	4.7
225.16432	3.9
227.18022	3.0
233.13289	1.0
235.14879	1.7
237.16318	3.9
239.17873	3.5
241.17621	1.2
241.19673	2.0
249.16470	1.9
251.17946	1.7
257.19037	5.9
259.20499	7.1
265.19711	1.4
283.20627	1.2
285.22031	1.5
297.14471	0.9
297.22095	1.4
299.20224	1.2
311.23639	1.8
315.23056	1.0
321.21756	1.0
323.23621	1.4
325.25461	1.2
331.22678	1.9
333.24338	5.1
335.25797	2.7
337.25171	1.8
339.23105	1.3
341.24658	1.0
351.26724	3.3
367.26312	1.3
379.30048	1.7
393.27472	1.8
407.28497	1.4
425.30475	1.1
447.32034	2.4
487.33606	1.4
495.34839	1.2
499.39743	1.7
501.35663	2.3
515.38037	1.3
517.40546	9.3
521.35999	1.7
527.37280	1.5
535.41125	5.3
539.37250	2.1
573.43146	1.3
591.43927	8.5
607.44269	1.5
609.45142	100.0
610.45270	3.5
735.47717	1.2
753.48456	1.1
771.50732	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.6
65.03930	4.4
67.05510	81.5
68.10099	1.1
69.03429	4.7
69.06737	1.8
69.07077	30.0
69.24104	0.9
69.27522	9.6
71.04990	4.1
71.08650	1.5
73.02910	1.2
76.24860	1.1
79.05498	66.3
80.08154	1.0
81.03413	4.7
81.07063	76.6
83.04993	6.1
83.08629	16.8
85.02912	5.9
85.06544	5.8
91.05487	60.7
93.07049	73.1
95.04959	8.5
95.08614	58.8
95.09246	2.0
97.02869	4.3
97.06538	10.1
97.10172	12.5
99.08090	3.6
103.05479	1.3
105.04527	2.1
105.07037	50.5
107.04949	4.6
107.08601	47.0
109.02842	1.6
109.06522	5.2
109.09457	1.8
109.10164	25.3
111.08092	5.9
115.05456	3.3
117.07025	25.1
119.08594	41.4
121.06511	3.0
121.10160	28.1
123.08051	2.6
123.11716	6.4
125.09633	10.7
127.03954	1.7
127.07565	1.4
128.06192	2.6
129.05489	2.0
129.06999	9.9
130.07814	3.3
131.08574	34.1
133.06436	1.1
133.10146	27.9
135.08035	4.0
135.11716	16.3
137.09613	4.3
139.11192	2.1
141.06956	2.4
142.07825	2.6
143.08585	11.1
144.09361	1.6
145.10135	30.9
147.08022	1.9
147.11700	18.9
149.09648	9.7
149.13274	7.2
151.03877	2.7
151.11215	2.9
153.09076	2.1
155.08563	3.2
157.10136	10.4
159.11710	25.3
161.05885	2.2
161.09648	2.6
161.13251	12.0
163.11221	6.3
163.14838	4.2
165.12813	2.2
165.79572	1.0
169.10173	6.6
171.10333	2.1
171.11656	7.5
173.09633	1.5
173.13260	14.2
175.14865	4.1
177.12825	2.0
177.16373	1.8
179.14337	1.6
183.11743	6.3
185.13239	15.8
187.11266	1.6
187.14835	3.7
189.11186	4.0
189.12686	2.6
195.06488	1.3
197.13242	4.0
199.14844	4.0
201.16399	3.8
203.14297	4.8
205.15895	2.0
211.14865	1.9
215.18025	1.6
217.15846	1.2
219.17365	4.0
223.14813	1.2
225.16447	1.5
227.12727	14.7
229.14383	3.5
229.19479	3.0
232.50899	1.2
239.17970	9.5
241.19458	2.5
243.21199	1.9
247.20502	2.4
255.16125	1.5
257.19016	22.7
259.20627	4.7
261.22174	8.3
267.15826	2.5
269.17371	1.3
275.20090	44.0
277.21722	1.7
293.21027	1.8
313.21454	1.1
317.24741	2.2
331.22604	7.6
333.24207	3.7
335.25830	100.0
345.72751	1.2
349.23740	53.3
351.25235	1.7
400.44254	1.2
443.41223	1.2
489.35699	5.0
505.35193	4.6
515.37372	1.8
517.40027	2.1
529.38739	4.4
535.41132	1.5
555.39923	3.3
569.41656	2.9
591.44153	1.7
609.45184	71.9
610.45532	2.1
627.46478	7.2
644.48309	1.2
649.39832	1.6
824.56897	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	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.1
61.21673	0.9
63.59455	1.0
65.03936	3.6
65.23592	0.9
67.05506	86.5
69.03428	6.9
69.07069	28.3
71.04993	5.5
77.03896	1.0
79.05495	61.3
81.03063	0.9
81.03434	8.5
81.07058	82.2
83.04988	8.1
83.08617	13.6
85.02885	5.2
85.06516	3.5
85.72617	1.2
91.05484	44.2
93.07045	69.4
95.04981	9.4
95.08609	51.1
97.02908	4.8
97.06534	10.3
97.10169	8.8
99.04450	2.0
99.08082	2.6
102.86953	0.9
103.05449	1.5
105.04506	1.7
105.07033	32.8
107.04958	4.8
107.07869	2.3
107.08597	40.7
109.02876	1.3
109.06535	5.8
109.09462	1.7
109.10156	26.7
111.08086	3.9
113.09653	1.2
115.05461	1.2
117.07023	13.8
119.07706	1.0
119.08578	26.4
121.06494	4.5
121.10150	29.0
123.08040	4.2
123.11731	7.2
125.09626	3.9
127.03905	3.3
127.24407	0.9
128.06195	1.5
129.05530	2.1
129.06996	3.9
131.08577	18.9
133.10135	22.0
135.08038	4.3
135.10680	1.3
135.11687	18.8
137.09569	4.8
137.13260	1.6
137.67450	0.9
139.11168	1.5
141.06967	2.4
143.08557	4.4
145.10132	15.7
147.11684	11.8
149.09624	7.7
149.13257	11.4
151.11169	2.4
155.08524	2.7
157.10150	3.5
159.11694	14.3
161.06059	1.5
161.09579	2.0
161.13280	6.8
163.11165	5.8
163.14830	2.8
169.10149	2.3
171.11662	4.4
171.17192	1.0
173.04404	2.8
173.11826	1.6
173.13255	9.1
175.14876	1.4
177.12769	3.4
179.14320	1.9
181.12210	1.9
183.11690	2.7
185.13284	3.2
187.14854	3.3
189.11284	2.5
195.13802	3.2
197.13216	2.4
199.14777	1.8
201.12637	1.1
201.16388	2.3
203.14386	1.4
211.14880	1.3
213.74992	1.1
215.17894	1.1
219.17319	1.2
227.12723	5.7
227.23459	1.0
229.14363	8.0
229.19527	1.5
229.34314	1.6
235.16902	1.2
238.87959	1.0
239.17989	2.6
241.19536	2.0
243.21085	3.0
247.20537	1.5
255.15901	6.0
257.19019	6.7
259.20587	2.3
261.22189	11.0
267.15857	1.4
269.17422	15.8
275.20081	19.8
277.21683	1.0
293.17703	1.1
293.20868	1.9
308.83493	1.0
309.20587	1.3
317.24612	1.3
331.22638	2.0
333.24097	1.7
335.25800	100.0
336.26016	2.6
349.23721	20.7
367.24710	2.4
389.46945	1.1
437.34299	1.2
489.35840	9.7
505.35226	1.4
515.37384	17.7
517.39740	1.1
529.38892	53.3
569.42157	5.6
609.45142	30.1
627.46100	8.9
673.42932	1.2
753.47974	1.2
824.57135	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	823.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.0
61.02932	7.7
62.42370	1.3
65.03946	2.1
67.05505	33.0
68.99792	5.6
69.03429	50.1
69.07069	38.6
69.07446	2.6
70.06593	2.3
70.07422	1.4
71.01341	2.4
71.04993	10.9
71.08628	7.8
73.02921	8.4
77.03924	1.8
79.05489	21.1
80.44358	1.1
81.03422	51.1
81.07059	85.6
83.04974	7.2
83.08618	19.6
85.02907	96.8
85.06545	7.1
85.10173	4.3
87.00832	42.8
87.04467	1.6
89.06052	1.7
91.03918	2.1
91.05476	16.6
93.07047	53.2
95.04984	8.6
95.08609	85.3
97.02895	54.8
97.06540	3.2
97.10172	15.6
98.97587	2.0
99.04453	18.7
99.08103	3.1
101.02367	1.8
103.03941	3.0
105.01875	37.8
105.07024	28.0
107.04969	3.7
107.08591	40.5
109.02881	79.5
109.06540	3.5
109.10162	58.2
111.04425	6.6
111.05098	1.4
111.08073	3.2
111.11725	9.6
113.02350	1.4
115.03922	2.5
117.01893	3.5
117.07043	2.9
119.04960	2.5
119.08585	26.8
121.06541	1.5
121.10154	31.7
123.04452	6.0
123.08057	4.2
123.11711	28.7
125.02344	3.6
125.13259	5.4
127.03921	100.0
129.01834	5.8
129.07007	1.6
131.08583	4.6
133.06425	1.9
133.08601	1.8
133.10132	31.4
135.08051	2.2
135.10686	1.9
135.11688	28.7
136.11975	1.5
137.06001	5.5
137.09631	5.3
137.13258	11.2
139.11198	2.2
139.14757	1.7
141.05418	1.4
142.09633	1.2
145.04970	20.8
145.10089	5.3
147.02853	3.6
147.04388	2.0
147.11711	18.4
149.13260	37.4
151.03894	3.1
151.11186	2.9
151.14809	7.7
155.08528	2.0
155.10643	3.8
157.10114	2.5
159.02928	12.6
159.11707	4.9
161.06018	2.4
161.13252	12.0
163.03943	1.4
163.14818	17.5
164.07056	2.0
165.12807	6.9
165.16399	4.4
167.07040	1.8
169.04971	6.4
171.02977	1.8
171.11691	1.6
173.09607	1.7
173.13184	1.7
175.11214	1.3
175.14824	6.1
177.16412	9.9
179.14209	1.7
179.18004	2.7
185.13237	1.7
187.06012	3.9
187.14807	1.7
189.03934	8.6
189.05428	1.7
189.16309	6.5
191.14351	2.0
191.17972	4.6
193.05025	2.1
195.11702	1.6
195.17555	1.7
201.12743	1.5
203.17957	4.7
205.19545	3.1
213.03937	17.8
217.19591	6.1
231.05048	23.6
231.21092	2.6
235.06020	1.7
247.24237	3.2
249.06123	3.9
261.25705	4.3
267.26883	2.5
273.06052	17.6
273.25781	42.8
279.26868	20.5
289.25235	4.1
291.26819	67.4
292.27142	1.7
297.27969	4.6
301.25098	1.4
303.26782	2.0
309.27881	51.5
321.06052	2.0
327.28867	15.2
333.27939	3.9
339.07089	3.8
357.08087	2.2
363.27133	1.4
369.27649	1.9
381.27896	4.0
399.28812	5.1
417.30048	4.3
443.08051	3.0
461.09158	6.0
473.28793	1.6
491.29730	1.7
503.29855	5.5
509.31122	1.5
521.31024	6.6
539.32043	6.6
597.35809	1.9
675.55530	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.31529	2.0
61.02921	2.0
67.05494	7.5
69.03438	8.8
69.07056	5.4
69.88815	1.9
70.06605	3.2
71.05015	2.2
73.02910	2.5
79.05492	2.0
81.03429	12.2
81.07055	7.1
83.04979	1.9
85.02917	13.6
86.09708	2.5
87.04483	2.2
89.06048	2.0
91.05498	4.6
93.07023	3.4
94.06580	8.0
95.04964	2.2
95.08630	3.1
97.02908	6.7
98.97606	2.0
99.04420	2.6
105.07046	2.9
106.06609	2.3
107.04997	2.7
107.08550	3.5
108.08149	10.2
109.02897	4.3
109.10180	3.4
115.03967	2.2
117.06989	2.4
118.06597	2.3
120.04564	1.9
120.08125	4.3
121.06521	2.4
121.10136	2.2
122.06044	22.7
123.04459	2.1
123.45869	2.0
127.03957	5.6
134.06009	5.9
136.07541	9.5
137.05981	7.6
139.68149	1.8
140.07051	4.9
146.06021	6.3
147.04449	2.4
148.07579	11.4
150.09154	4.3
152.07043	2.5
164.07092	6.1
166.08719	5.0
167.07025	3.0
172.03889	2.9
174.05508	7.4
176.07097	3.3
177.05550	3.0
181.04967	2.1
190.05051	2.2
196.49397	1.9
199.08788	2.3
199.12247	2.6
204.06604	4.4
206.08156	2.8
207.06361	2.7
209.10764	2.4
210.11507	2.4
211.08720	3.0
211.12332	6.0
213.10258	3.7
220.09802	2.0
221.10767	3.0
222.11461	2.6
223.08685	11.2
223.12289	7.1
225.10252	30.3
225.13872	5.8
226.10843	4.1
226.35938	2.0
227.08186	2.3
227.11815	6.2
235.08603	9.2
235.12303	4.9
236.09399	5.8
236.13123	4.1
237.10245	20.2
237.13831	9.9
238.10947	14.7
239.11821	25.5
240.12494	9.6
241.09700	2.8
241.13374	8.6
247.12317	3.0
248.09328	5.2
248.13168	2.6
249.10260	16.5
249.13791	2.5
250.10974	23.6
251.08145	5.9
251.11812	81.0
252.12489	13.4
253.09787	6.1
253.13364	26.9
254.14148	2.5
262.10876	4.3
262.64880	1.8
263.08405	3.0
263.11826	42.5
263.50900	2.0
264.08954	5.1
264.12424	8.5
265.09836	15.1
265.13376	83.8
266.10699	9.2
266.14090	10.6
267.11664	9.7
267.14719	9.2
268.11948	3.8
269.12827	4.8
271.14487	2.8
272.09070	2.1
275.11813	5.1
276.10147	3.0
277.09695	11.5
277.13342	8.6
278.10437	12.3
279.11301	59.5
279.14404	1.9
280.12119	11.7
281.12796	15.9
282.13492	3.7
283.10803	10.4
283.14200	3.9
284.11612	2.9
285.12372	4.8
289.13535	3.0
291.11353	16.9
292.12027	5.0
293.09619	2.3
293.12817	39.6
294.13593	6.7
295.11044	4.4
295.14417	14.5
296.11728	4.5
297.12463	19.6
298.13052	5.9
299.14099	12.2
303.11331	2.4
305.09198	2.3
305.12708	3.4
307.10773	5.8
307.14136	2.1
309.12375	20.3
310.13068	9.7
311.13889	58.4
312.14639	4.9
313.11771	1.9
313.15442	7.5
319.10797	5.9
320.11444	3.4
321.12350	22.1
323.10303	1.9
323.13995	5.4
325.15411	3.9
335.13525	2.6
336.90924	2.2
337.11673	6.7
338.12622	2.9
339.13342	13.3
341.15063	5.5
344.17789	2.2
351.13394	9.0
353.15024	19.2
355.12445	2.0
355.16650	4.1
357.14636	2.6
358.15518	4.1
360.17023	2.4
365.14810	3.0
369.14334	16.8
370.15234	6.0
371.16077	24.7
372.16983	3.9
379.12903	3.4
381.14307	3.2
383.16187	2.4
386.18817	3.4
395.16199	3.3
396.17007	2.2
400.16223	4.4
411.15384	5.8
413.17047	9.0
414.18185	6.7
416.19687	6.1
419.15720	2.4
421.17465	2.1
423.15613	3.7
432.19284	4.9
435.15421	7.2
436.15967	2.6
437.17111	9.9
440.15649	2.5
441.16595	5.5
442.17584	4.5
447.14911	2.5
453.16949	10.0
454.17410	2.7
455.18225	16.6
460.18631	3.9
463.14929	9.8
464.16000	3.5
465.16367	12.8
473.19360	5.0
474.20346	13.9
480.21271	4.0
481.15994	13.6
482.16736	6.1
483.17508	18.7
485.18997	2.7
492.21292	7.9
494.22464	3.9
495.17545	5.1
497.19254	13.1
499.20575	3.1
501.22095	4.9
513.18719	21.9
514.19037	4.6
515.20215	33.7
527.20258	6.1
529.21637	7.0
534.22235	21.3
540.21222	3.2
542.22705	3.1
558.22290	6.4
559.22797	19.4
560.23511	3.9
561.24493	31.5
568.20886	8.6
576.23645	4.4
586.21832	33.7
587.22357	2.4
588.23401	8.3
594.24237	3.0
600.23431	56.6
601.24634	5.2
602.23315	2.3
604.22986	23.7
606.24530	11.6
618.24542	75.5
619.25226	10.3
620.25916	8.0
622.23645	4.5
636.25494	100.0
637.25623	6.1
650.27094	40.4
655.26587	3.5
668.28387	13.0
675.29938	4.1
681.28082	2.9
682.29663	88.8
683.29285	3.7
700.31122	8.8
709.28491	14.2
723.30060	16.4
727.29535	9.5
741.31335	21.5
745.30408	5.1
759.31769	7.4
777.32996	6.0
791.34943	2.9
823.33331	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	10.5
57.07077	8.2
67.05508	81.8
69.03416	11.9
69.07071	35.5
71.04992	8.8
74.89935	3.9
79.05497	60.7
81.03403	8.3
81.07063	89.0
83.04974	26.4
83.08591	11.1
85.06544	5.4
91.04972	5.3
91.05491	75.5
93.07047	64.7
95.04955	15.5
95.08611	53.3
97.06535	9.4
97.10183	6.2
98.20736	9.2
103.05463	4.4
105.07053	50.1
107.04951	12.7
107.08595	55.5
109.06515	10.4
109.10165	53.5
110.44344	3.9
111.08095	5.6
117.05727	4.0
117.06999	17.3
119.08582	29.8
121.06542	12.1
121.10139	20.5
123.08028	5.0
123.11729	11.4
125.09617	7.0
129.07010	4.9
131.08589	26.6
133.06528	6.7
133.10135	70.3
135.08029	10.9
135.11681	13.6
137.09564	5.4
138.23636	3.9
143.08531	7.8
145.10144	15.7
147.11667	8.4
149.09563	7.9
149.13304	8.2
151.11194	21.0
157.10060	5.5
159.11719	9.1
161.09651	7.0
161.13184	9.0
171.11700	7.5
173.13307	8.3
175.11162	6.5
185.38599	4.0
215.12775	4.0
223.13220	4.2
228.30403	5.0
243.20993	6.3
245.19112	8.0
253.14366	58.1
261.22162	9.3
263.20190	5.9
273.18436	32.7
291.19543	40.9
293.54404	3.8
317.24805	5.9
335.21994	6.7
335.25818	92.4
347.22003	11.5
365.23260	57.4
513.35260	8.2
531.36700	12.4
607.43396	5.9
625.34766	6.0
625.44696	100.0
823.51257	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.9
57.07071	1.8
59.04995	1.8
61.02929	1.4
65.03936	2.9
67.05510	56.0
69.03436	8.0
69.07071	32.0
69.07346	0.7
69.07450	1.1
69.30991	8.4
71.04989	3.5
73.02924	1.4
79.05497	38.9
81.03419	6.2
81.07060	47.5
83.04990	5.0
83.08621	12.2
85.02901	1.8
85.06575	2.7
89.76599	1.1
91.04018	1.3
91.05480	27.2
93.07048	43.2
93.07634	2.5
95.04993	9.6
95.08615	35.6
97.02896	9.4
97.06541	4.1
97.10172	14.4
103.25127	1.0
105.07040	19.3
107.04940	5.3
107.08602	28.2
109.06530	2.7
109.10166	16.1
111.08097	2.7
115.05412	1.5
117.07048	8.8
119.04970	1.2
119.08595	15.4
121.06550	2.9
121.10152	18.0
123.08035	5.6
123.11715	3.7
125.09639	9.9
129.07030	2.2
131.08575	10.9
133.06459	1.8
133.10135	10.7
134.07295	1.8
135.08067	3.2
135.11685	9.1
137.09647	2.0
137.13222	1.5
143.08536	2.6
145.06557	1.1
145.10139	9.5
147.08066	3.9
147.11720	5.9
148.90910	1.1
149.09663	1.3
149.13217	5.1
151.11209	1.3
153.09166	1.1
157.10162	3.1
159.11713	5.8
161.09642	2.9
161.13297	2.3
163.11278	1.7
163.14798	2.3
171.10168	1.2
173.13316	3.9
175.11191	1.9
175.57565	1.2
181.09991	1.0
185.13309	1.3
187.14755	1.5
189.11243	4.0
201.96408	1.1
205.12317	1.6
205.52208	1.0
223.13310	21.7
227.12819	3.0
243.21153	1.9
249.14848	2.5
259.20493	1.3
261.22165	7.9
263.20120	1.4
273.18536	15.2
291.19556	97.5
292.19885	1.8
309.20468	1.4
317.24747	3.4
335.25815	98.8
336.26144	1.8
347.22409	1.9
365.23264	50.8
527.37573	1.7
545.38165	4.2
607.43011	2.3
625.44672	100.0
626.44775	3.3
651.96307	1.1
671.80170	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	11.3
57.66350	3.4
57.76748	3.4
61.02930	8.0
65.03936	8.9
67.05177	6.8
67.05512	100.0
67.05871	5.2
69.03414	14.2
69.06790	4.0
69.07078	49.2
71.04987	7.0
71.57007	5.1
73.02907	5.1
79.05500	90.7
81.03416	17.7
81.07069	82.8
83.04964	12.6
83.08628	24.4
85.02903	10.4
85.06546	7.1
88.80978	3.7
91.05486	72.0
93.07060	74.0
95.04948	15.5
95.08054	4.8
95.08615	59.6
97.02868	11.6
97.06533	34.8
97.10165	24.4
105.04486	4.7
105.07034	67.3
107.04956	20.9
107.08610	68.3
109.06499	11.2
109.10168	39.6
111.04422	4.9
111.08060	7.1
115.05523	4.1
117.07035	27.7
119.08597	47.2
121.06485	10.7
121.10162	26.6
123.08064	11.0
123.11691	7.4
125.09652	25.0
127.03929	4.8
128.71754	4.0
129.07050	21.2
131.08594	39.6
133.06487	5.2
133.10155	41.6
134.68330	4.1
135.08067	10.5
135.11728	14.8
135.72542	4.0
137.09647	6.8
141.06964	4.6
142.07834	4.8
143.08563	14.5
145.06482	5.7
145.10130	32.9
147.08000	4.9
147.11710	21.6
149.09645	21.9
149.13246	11.4
151.11150	8.4
155.08578	7.3
157.10117	13.0
159.08173	4.4
159.11674	22.3
161.09656	5.8
161.13284	4.8
163.11189	16.9
169.10155	12.1
171.11678	12.3
173.09776	4.0
173.11847	4.5
173.13284	10.3
175.11206	6.5
183.11662	4.8
185.13335	5.3
187.14905	5.4
189.11270	18.6
197.13255	8.4
199.14845	6.7
207.13612	4.2
223.14923	4.7
224.89764	4.0
227.12778	31.7
229.14371	16.1
239.17894	8.3
245.13689	4.0
257.19092	18.7
269.17596	8.6
273.18475	8.8
275.20105	80.5
277.21710	4.5
291.19528	10.8
293.21109	8.8
331.22543	4.2
349.23752	58.8
351.25198	4.8
365.22885	5.8
367.24625	5.0
503.33499	7.4
511.33801	5.5
519.33429	7.4
525.35468	5.4
529.35437	12.6
543.36816	35.2
598.34082	3.9
605.41943	6.0
623.43109	47.1
641.44116	47.1
659.44244	6.5
687.40857	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	821.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.3
67.05499	8.1
69.03433	8.0
69.07069	12.3
70.06580	6.3
70.44740	6.4
71.04988	2.3
79.05504	2.7
81.03409	10.0
81.07057	7.8
83.04981	2.2
83.08627	5.5
84.08163	2.6
85.02909	8.7
86.09714	3.1
87.20490	1.8
88.14054	2.1
89.06043	2.4
91.05479	6.2
93.07034	5.5
94.06574	8.6
94.07418	2.3
95.04965	3.9
95.08596	7.8
97.02929	3.8
97.06518	2.1
98.97596	3.5
107.04968	2.3
107.08623	3.0
108.08120	5.2
109.02882	6.4
109.10163	4.2
118.06548	3.4
121.10137	4.3
122.06034	25.6
127.03928	7.4
131.04977	2.4
133.10118	2.5
134.06012	4.7
136.07587	2.6
137.05972	5.4
139.11240	2.3
140.07072	25.4
145.10184	2.0
146.06006	14.1
147.06895	2.3
148.07611	7.1
149.05956	2.8
149.58540	2.2
151.07605	2.7
162.05479	4.8
167.07054	6.5
172.03946	22.6
173.04689	2.8
174.05507	25.6
176.07045	8.3
177.05511	2.6
182.09740	2.9
184.09982	2.1
190.04997	6.4
191.07222	2.7
192.06512	2.6
197.10803	2.7
199.12347	4.8
204.06566	31.5
206.08139	10.5
207.16182	2.2
210.09253	2.7
211.08710	6.0
212.09401	4.1
216.10272	2.3
225.08168	2.9
225.10168	15.9
226.10991	3.1
227.11804	55.1
227.13965	4.3
237.10211	6.8
238.10922	4.8
239.11865	7.5
240.12598	2.6
241.13385	7.9
249.10333	4.5
251.11862	7.4
253.09773	6.4
255.11278	3.8
261.12619	2.4
263.08203	4.9
263.11710	2.5
264.08887	3.6
265.09732	11.3
267.11310	8.4
269.12888	21.0
271.10709	8.6
277.09573	4.0
279.11411	11.1
283.06024	2.6
283.10745	4.8
285.12335	10.7
287.13928	10.3
295.10815	4.4
297.12454	10.7
299.13998	7.3
301.12213	3.8
309.12161	2.2
311.14246	3.0
313.11783	19.3
314.13037	5.8
315.13745	4.6
316.14429	7.0
326.16669	2.8
327.13864	3.0
328.14594	5.4
329.11594	3.9
329.15112	18.7
330.12186	6.6
330.16058	10.0
331.13071	4.6
331.16724	10.9
332.17715	2.7
340.14590	2.8
342.12323	14.1
342.16043	7.5
343.13190	10.3
343.16754	2.5
344.13950	4.4
344.17599	11.4
345.14496	14.5
354.12527	2.8
355.13824	4.1
356.13773	13.9
357.14819	7.1
358.15488	26.2
359.16187	2.6
367.13531	3.1
370.11465	3.4
370.15524	9.8
371.16357	3.3
372.17172	13.5
373.17941	3.8
374.18866	2.8
380.13641	3.3
382.11423	10.8
382.16132	4.5
383.12802	6.7
384.13318	32.5
384.17511	3.6
385.14105	8.3
386.14862	9.6
386.19110	5.0
393.32443	2.8
394.32281	3.8
395.16220	16.6
398.14935	46.0
399.15768	40.6
400.16592	79.6
401.17114	4.1
412.16473	5.0
413.12326	2.8
413.17255	35.0
414.18085	10.1
416.15677	3.1
417.16431	3.8
418.17737	5.0
422.14630	2.4
430.17682	5.2
431.18170	23.0
432.19247	3.2
440.16086	8.1
441.16650	3.3
458.17337	8.1
459.17963	2.8
460.18564	3.0
477.22604	10.9
487.49393	3.2
558.22156	3.6
560.20160	2.5
562.21753	3.1
566.19580	4.0
581.23151	2.8
584.20227	7.1
585.21277	2.7
586.21631	3.0
599.24762	6.0
602.12677	2.3
602.21484	27.6
603.22040	11.6
604.22308	2.8
608.25531	3.7
634.23529	3.0
641.25848	8.5
648.25555	33.8
649.26367	22.1
650.26697	4.0
680.27740	6.9
681.29523	10.1
689.25897	7.7
699.29950	3.2
707.27063	29.1
721.55096	2.4
725.28070	25.3
743.29266	100.0
744.29388	2.8
771.31714	2.9
775.31940	11.3
789.33478	97.3
790.33221	3.2
821.38434	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	820.5994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.0
57.07079	100.0
57.90978	0.8
58.03267	0.7
59.05004	30.5
60.84234	0.7
67.05512	1.6
69.07085	4.0
71.04992	0.9
71.08636	99.6
73.02930	1.7
73.06564	4.2
79.05508	0.8
81.07056	0.9
83.08628	2.8
84.92106	0.7
85.06491	0.7
85.10187	92.2
87.04473	22.0
87.08127	0.7
89.06036	97.4
91.05490	1.1
91.07610	0.8
93.07033	1.8
97.06545	1.0
97.10160	2.1
98.20758	1.5
99.11736	9.0
101.05995	1.1
101.09666	2.9
103.07595	1.4
107.07053	2.3
107.08569	1.2
111.11696	1.0
117.09140	7.4
130.08636	4.0
131.07062	6.4
133.08612	82.4
141.16385	10.7
147.11667	0.8
161.11719	1.8
164.79369	0.7
175.09676	6.1
177.09662	1.8
177.11232	36.3
199.18817	1.6
199.20583	23.9
219.12279	2.8
221.13834	8.1
223.15311	1.2
239.14912	1.6
240.23138	1.4
257.24783	10.8
265.16498	2.2
267.18030	1.1
283.17456	3.0
309.18942	2.0
327.19778	1.2
353.21661	1.9
397.24191	1.2
459.27774	1.0
486.22852	0.8
503.30051	1.0
511.20023	0.8
547.33203	9.9
587.35663	2.3
645.39862	1.2
820.60187	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	820.5991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	65.6
59.05002	12.3
65.13896	0.4
67.05504	1.9
69.03409	0.5
69.07069	2.4
69.84138	0.4
71.04993	1.0
71.08633	45.5
73.02910	2.1
73.06560	4.9
79.05498	1.9
81.07067	1.7
83.04998	0.5
83.08627	1.3
85.10183	37.9
87.03919	0.8
87.04469	20.7
89.06032	100.0
91.05493	0.7
91.07610	0.8
93.07030	1.1
95.04990	0.5
95.08625	0.8
97.10159	1.5
99.11724	6.0
103.07597	5.8
105.07040	1.2
107.07063	2.3
113.06014	1.2
113.13284	2.0
115.07549	0.6
115.12089	0.4
117.09122	6.4
119.08603	0.7
121.10158	0.5
125.09676	0.4
130.08649	2.7
131.07042	8.7
131.08548	0.8
131.10651	0.6
133.08604	73.9
134.08894	0.8
135.10216	0.9
141.16365	1.3
145.81848	0.5
155.17921	3.9
159.10172	0.6
161.11726	2.0
171.11647	0.7
175.09666	6.1
177.11224	31.3
179.12833	0.7
199.20576	0.9
213.22141	4.0
219.12248	2.4
221.13844	7.6
223.15384	0.7
239.14893	1.0
257.24719	4.8
259.20584	0.5
265.16534	2.5
267.17984	0.8
283.17395	1.8
291.19485	1.7
309.18982	1.2
327.19971	0.9
333.24005	0.6
353.21533	1.7
371.22617	0.7
397.24152	1.9
441.26981	0.9
472.34988	0.5
503.30002	0.9
547.33154	1.4
573.34393	0.6
587.96918	0.4
591.35736	5.9
622.44440	1.0
623.42181	0.6
631.38342	1.2
803.56720	0.9
820.59906	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	820.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
57.07076	16.7
59.05005	7.4
61.02940	2.2
67.05502	2.9
68.99791	1.9
69.03431	12.9
69.07071	29.5
69.26645	3.3
69.27055	0.8
70.06593	1.8
71.05004	2.3
71.08613	3.1
73.02922	1.9
73.06562	1.0
79.05487	1.3
81.03422	15.9
81.07061	9.6
83.04984	3.1
83.08620	100.0
85.02906	26.0
85.03429	1.1
85.06538	0.9
86.06068	0.5
86.09711	0.5
87.00832	10.0
87.04464	5.4
89.06034	49.8
91.03969	0.6
91.05491	1.5
93.07040	2.2
95.04979	3.4
95.08609	3.6
97.02898	10.4
97.06537	1.6
97.10174	32.6
99.04467	5.6
101.06004	0.7
103.03952	1.2
103.07578	1.3
105.01875	6.5
105.07063	1.6
107.07070	1.3
107.08593	2.0
109.02878	20.1
109.06533	0.7
109.10171	1.6
111.04478	3.5
111.08093	0.5
111.11743	0.7
113.06008	0.5
113.91542	0.5
117.01843	1.3
117.09145	2.8
119.08601	1.4
121.06522	1.3
121.10173	0.8
123.04411	0.6
123.11723	0.8
125.06033	1.4
125.13348	0.5
127.03923	17.8
129.01863	1.6
130.08618	1.1
131.07085	1.8
133.08601	33.1
135.11707	0.8
137.05946	0.6
137.13257	1.2
139.07527	0.9
139.14836	1.1
143.07059	0.6
145.04958	3.5
147.02867	0.9
147.10164	1.9
147.11717	1.1
149.05988	1.4
149.13231	0.7
155.14310	4.4
157.15881	23.7
159.02901	3.7
159.11761	0.9
161.13297	0.5
167.07043	2.3
175.09702	2.1
175.16962	5.8
177.11227	22.4
184.07333	0.5
185.08167	1.4
189.04013	1.4
191.12865	1.5
195.12323	0.9
198.18494	0.8
211.17001	1.2
213.03970	4.1
215.17975	1.3
215.20061	25.6
215.83589	0.5
219.12263	1.3
221.13869	4.9
231.05013	3.0
233.21194	1.4
235.15536	0.8
237.13319	0.8
237.16971	0.8
239.15005	1.9
249.06081	1.3
265.16592	2.8
271.08151	0.8
271.24399	0.9
273.24246	14.5
279.11069	0.5
279.18518	0.5
283.17490	28.7
289.09177	2.2
292.19373	0.5
297.19000	1.1
323.20541	7.8
327.20190	1.7
341.21716	14.9
367.23499	0.4
369.18958	1.1
381.24863	5.6
399.25845	1.1
427.23569	0.7
537.38501	0.7
555.41040	24.0
820.48840	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	819.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.9
68.05030	0.2
69.07054	0.3
70.06568	0.6
71.04959	0.2
71.55062	0.2
79.05461	0.6
81.07059	1.1
83.08593	0.3
85.02888	0.3
91.05461	0.7
93.07018	0.7
94.98560	0.2
95.08625	0.9
97.02923	0.2
103.11512	0.2
105.06994	0.6
107.08582	0.4
109.06487	0.2
109.10148	0.4
110.09650	0.6
112.11236	0.8
117.07002	0.2
119.08551	0.3
121.10160	0.3
122.09696	0.2
137.78419	0.2
143.04858	0.2
143.08580	0.2
150.06769	0.2
151.07529	1.1
152.07889	0.3
163.06245	0.3
165.06990	0.2
165.09036	0.5
175.07513	0.2
176.07045	0.3
177.07324	0.2
178.08675	2.9
179.08986	1.0
191.08525	0.3
193.10170	0.2
195.08018	0.5
199.07629	0.2
206.07321	0.3
207.08031	0.7
208.08768	0.4
209.05962	0.4
209.09593	0.2
210.06735	0.4
210.10385	0.4
211.07600	1.0
213.09131	0.2
218.07271	0.2
219.08037	0.5
220.08827	0.6
221.05995	0.3
221.09663	1.0
222.10452	1.5
223.07585	1.0
223.10997	0.2
224.08267	0.5
225.09087	1.5
226.09708	0.3
234.06798	0.4
235.07541	2.4
236.08295	0.7
237.09113	1.9
238.09868	1.2
239.07076	0.5
239.10622	1.6
239.19830	0.2
240.07808	0.3
240.11354	0.3
241.08627	1.3
242.09338	0.4
247.07492	0.3
248.08401	0.9
249.09184	1.7
250.09932	5.3
251.07115	1.8
251.10677	2.9
252.07768	0.6
252.11307	0.3
253.08633	1.7
253.12276	1.5
254.09409	1.1
254.13008	0.3
255.06564	0.3
255.10149	1.7
256.07318	0.4
256.10803	0.3
257.08127	0.2
262.10083	0.3
263.10431	0.2
264.07758	0.8
264.10236	0.2
265.08621	2.5
265.11725	0.3
266.09396	1.6
267.10178	7.8
268.07651	0.2
268.10773	1.0
269.08078	1.6
269.11621	0.9
270.08844	1.2
270.12494	0.2
271.09683	2.6
272.10214	0.3
279.10141	4.0
279.13007	0.3
280.10956	4.9
281.08185	1.7
281.11697	11.8
282.12509	11.1
283.09625	2.3
283.13007	0.6
284.10428	3.1
284.13257	0.3
285.11243	2.3
285.72000	0.2
286.12067	1.4
293.11765	0.5
294.12256	0.7
295.09470	0.3
296.10385	4.6
296.13446	0.4
297.11188	0.4
298.08533	0.3
298.11990	4.9
299.12778	2.2
310.14728	0.3
311.12729	3.0
312.12399	0.4
313.14340	3.3
314.14490	0.2
326.13968	0.4
327.14636	0.4
328.15366	0.3
342.17007	62.9
343.17325	3.8
344.17648	1.4
380.18521	0.6
394.20178	0.2
395.20822	0.4
410.23264	100.0
411.23660	2.4
492.31107	4.1
493.31589	0.4
498.85547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.6201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.4
57.07078	100.0
58.07405	0.8
59.05005	37.1
60.41576	0.7
69.07081	2.3
69.22561	7.2
71.04520	0.7
71.08636	76.1
73.06564	1.3
74.38758	0.7
79.10748	0.7
81.07044	1.1
83.08630	2.8
85.10186	63.7
87.04475	7.3
89.06036	31.6
95.08649	0.7
97.10159	3.3
99.11736	12.0
101.06024	0.8
101.09663	3.8
103.07575	0.8
111.11729	0.9
113.13277	3.9
117.09129	13.7
117.09897	1.0
119.33459	0.6
130.08627	1.1
131.07079	2.1
133.08607	25.0
136.06990	0.8
147.10191	1.0
155.17966	9.4
161.11763	0.7
175.09755	1.6
175.13316	1.0
177.11235	11.7
185.64490	0.7
213.22141	23.2
219.12375	0.7
221.13942	2.3
254.25009	1.9
271.26303	27.1
283.17639	0.8
329.30646	2.6
353.21616	0.9
371.22852	0.9
415.25433	9.3
473.29898	2.6
787.54675	0.7
818.62567	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	817.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.4
66.97402	0.2
67.05526	0.9
69.65859	0.6
69.66261	0.4
79.05492	1.4
81.03429	0.4
81.07050	1.0
91.05484	1.4
93.07043	0.8
95.04960	0.3
95.08617	0.7
97.02914	0.2
103.05473	0.4
105.07054	1.7
106.76199	0.2
107.04971	1.2
107.08591	1.0
108.05726	0.3
109.10136	0.4
115.05468	1.8
117.07008	0.2
118.04156	0.2
118.06546	0.3
119.04930	0.6
119.08595	0.3
120.05785	0.3
121.06561	0.4
121.10143	0.6
128.04976	0.3
131.04980	0.4
133.06525	0.8
134.07294	0.7
135.04425	0.5
135.06865	0.2
135.08073	0.6
136.05191	0.8
137.05978	1.8
143.04936	7.0
144.05727	0.3
146.06020	0.2
148.07523	0.4
150.06775	3.8
151.07558	25.4
152.07932	0.2
156.04472	0.6
160.05284	0.9
161.06046	0.2
161.08421	0.4
161.21396	0.2
163.06303	5.5
163.07529	0.3
163.14786	0.4
165.09135	9.2
174.05490	0.2
175.06245	0.3
175.07568	5.6
176.07077	8.1
177.07861	0.5
178.08649	62.8
179.09003	0.8
184.07350	0.2
188.07057	1.3
189.07831	0.6
189.09268	0.2
190.08650	1.4
191.09445	7.0
192.10228	0.9
192.17651	0.2
204.10312	0.3
206.07375	0.2
207.08072	0.3
211.07559	0.2
213.34651	0.2
216.10249	1.1
219.08032	0.2
221.09529	0.3
222.10403	0.7
223.07555	0.5
225.09189	0.2
228.10303	0.3
230.11935	0.4
234.10309	0.2
235.07593	0.7
237.09178	0.5
238.09921	0.4
239.10767	0.3
242.11871	0.2
244.13507	0.2
249.09196	0.4
250.09886	1.7
251.07074	0.5
251.10663	0.6
253.08562	0.2
253.12282	0.8
254.09338	0.3
255.10233	0.5
258.14841	1.0
265.08774	0.4
265.12158	0.3
266.09485	0.4
267.10236	2.0
268.10901	0.3
269.08167	0.4
271.09744	0.2
279.10220	0.5
280.10950	0.4
281.11752	4.1
282.12509	3.0
283.09744	1.1
283.12714	0.3
284.10504	0.6
286.11935	0.4
291.19525	0.4
293.11835	0.5
294.12683	0.9
296.10406	0.3
298.12042	1.6
299.12988	0.3
310.11011	0.9
310.14545	0.4
312.12424	0.3
313.14279	1.8
325.14386	0.6
326.13928	5.4
327.14624	0.5
328.15555	0.6
331.00281	0.2
340.15533	2.2
340.22806	0.8
342.17032	100.0
343.17410	1.5
400.34973	0.2
410.23340	1.6
490.29907	0.3
492.31137	9.9
637.40857	0.3
655.43329	0.2
684.07971	0.2
743.20221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	0.1
58.25128	0.1
67.05508	0.7
69.07069	0.1
69.68846	0.1
71.56618	0.1
79.05492	0.3
81.07058	0.6
85.02901	0.1
89.72362	0.1
91.05478	0.2
93.07034	0.4
95.08607	0.7
97.02931	0.1
105.07011	0.2
107.08605	0.3
109.10176	0.5
116.06442	0.1
121.10161	0.2
123.11683	0.2
137.05997	0.1
150.06744	0.1
151.07527	0.3
157.75320	0.1
157.91550	0.1
163.06302	0.1
165.05711	0.1
165.07016	0.2
165.09117	0.5
173.04396	0.1
177.06989	0.1
178.08702	0.2
179.08641	0.1
181.06477	0.2
188.07060	0.1
191.08652	0.1
192.10172	0.2
193.10329	0.1
194.19109	0.1
195.08000	0.5
206.07272	0.3
207.08035	0.5
208.08864	0.3
209.05920	0.3
209.09677	0.4
210.06915	0.1
210.10367	0.4
211.07593	0.8
213.09053	0.2
219.07953	0.5
220.08842	0.3
221.09633	0.8
222.10385	1.3
223.07556	1.0
223.11073	0.2
223.28142	0.1
224.08434	0.2
225.09079	0.8
226.06265	0.1
226.09949	0.1
227.10670	0.2
234.06831	0.2
234.10400	0.1
235.07565	1.7
236.08493	0.2
237.05475	0.1
237.09131	1.5
238.09904	1.3
239.07031	0.2
239.10689	1.0
240.07841	0.2
241.08575	0.8
242.09412	0.2
243.10190	0.1
247.07579	0.2
248.08345	0.2
249.09134	1.3
250.09889	4.9
251.07051	1.1
251.10684	1.7
252.07820	0.3
252.11641	0.2
253.08665	0.5
253.12222	0.9
254.09271	0.6
255.06377	0.2
255.10147	1.3
256.07318	0.3
256.10959	0.3
257.08231	0.2
262.09958	0.4
263.06964	0.1
263.10883	0.2
264.07779	0.2
265.08606	1.0
265.12177	0.3
266.09418	1.8
266.12048	0.2
267.10172	5.6
268.07434	0.1
268.10852	0.6
269.08109	1.4
269.11658	0.5
270.08923	0.4
270.12384	0.3
271.09631	1.7
278.09174	0.1
278.11908	0.1
279.10098	1.1
279.12634	0.2
280.11057	0.8
281.08423	0.5
281.11722	11.6
282.12497	9.6
283.09689	2.2
283.13019	0.4
284.10422	2.1
285.11160	1.3
286.12000	1.3
293.11636	0.7
294.12463	0.7
295.09656	0.3
296.10229	0.9
296.12497	0.1
297.11227	0.3
298.11984	5.0
299.12680	1.0
300.13303	0.2
310.11426	0.2
310.14453	0.3
311.12787	0.3
312.12463	0.3
313.14319	3.7
326.13947	0.7
327.14734	0.5
342.17001	100.0
343.17319	1.6
410.23312	0.6
492.31094	8.3
493.31223	0.2
498.79312	0.1
794.13342	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	817.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.1
58.06600	0.2
62.07724	0.1
63.44210	0.1
67.05508	0.8
69.07066	0.2
69.96796	0.2
69.97205	0.4
70.06590	0.2
79.05491	0.4
81.03407	0.2
81.07065	0.7
83.08626	0.1
90.95515	0.1
91.05464	0.3
93.07047	0.3
95.08601	0.7
100.03800	0.1
105.06994	0.2
107.08573	0.4
109.10168	0.6
119.08624	0.1
127.03942	0.1
131.08475	0.2
151.07584	0.1
160.24048	0.1
165.09122	0.4
179.08588	0.2
181.06543	0.2
187.76884	0.1
191.08495	0.1
192.10201	0.2
193.10133	0.2
195.08043	0.4
203.30685	0.1
205.06335	0.2
206.07320	0.2
207.08089	0.5
208.08833	0.1
209.06081	0.2
209.09630	0.4
210.06783	0.1
210.10442	0.3
211.07545	0.5
219.08035	0.6
220.08830	0.2
221.09637	0.5
222.10439	1.4
223.07582	0.9
224.08325	0.2
225.09123	0.7
226.09749	0.2
227.10606	0.2
233.09558	0.1
234.06720	0.2
234.10474	0.2
235.07564	1.8
236.08295	0.4
237.09122	1.4
238.06203	0.2
238.09953	1.5
239.07036	0.2
239.10672	0.9
240.07889	0.2
241.08615	0.5
247.07681	0.1
248.08423	0.2
249.09059	1.0
250.09900	4.2
251.07056	1.0
251.10741	1.2
252.07829	0.3
253.08701	0.7
253.12166	1.0
254.09370	0.5
255.10194	1.3
256.07318	0.3
256.10876	0.3
262.09836	0.3
263.10406	0.1
264.07751	0.2
264.10403	0.2
265.08588	0.6
265.12195	0.3
266.09402	1.4
267.10178	5.1
268.10898	0.7
268.13531	0.2
269.08115	1.4
269.11685	0.4
270.08875	0.5
270.12442	0.2
271.09610	1.4
272.10440	0.1
279.10190	1.0
279.12659	0.3
280.10928	0.9
281.08475	0.5
281.11722	11.2
282.12506	8.4
283.09680	1.9
283.13004	0.3
284.10464	2.0
285.11230	1.1
286.11975	1.2
293.11746	0.5
294.12524	0.7
295.09631	0.3
296.10300	0.9
297.11121	0.2
298.12009	4.2
299.12720	1.0
300.13608	0.2
310.14566	0.3
311.12744	0.4
312.12314	0.2
313.14334	3.4
314.14661	0.1
326.13858	0.6
327.14700	0.4
342.17001	100.0
343.17340	1.6
356.18307	0.2
410.23245	0.7
413.50888	0.1
492.31128	8.8
493.31250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	0.3
67.05519	1.7
68.48682	0.2
69.07050	0.3
70.02424	1.0
77.96862	0.2
79.05063	0.4
79.05498	5.4
79.69884	0.3
81.07063	6.4
88.72091	0.2
91.05483	3.6
93.07024	1.1
95.04963	0.5
95.08615	1.1
97.02879	0.3
103.05470	2.7
104.06272	0.6
105.07039	8.7
107.04958	1.9
107.08582	0.9
107.29605	0.3
108.05745	1.0
108.08085	0.2
109.06509	0.4
109.10134	0.8
110.09671	0.9
115.05427	0.9
118.04191	1.6
119.04963	1.2
119.08557	0.3
120.05721	1.0
121.06515	2.4
121.10186	0.4
122.07280	0.7
123.11686	0.3
131.04897	0.7
131.08513	0.3
132.05733	0.3
133.06511	6.8
133.10089	0.2
134.07281	9.7
134.08298	0.6
135.04430	3.1
135.08055	3.4
136.05214	0.4
137.05992	1.0
137.09641	0.4
143.04932	3.1
146.05991	1.6
149.05978	0.8
150.06773	26.9
151.07558	11.3
151.08806	0.3
156.04486	0.6
159.08087	0.4
160.05202	0.5
160.07567	0.4
161.04733	0.5
161.05965	0.3
162.05576	0.3
163.06343	1.8
165.09122	83.3
166.09488	0.8
174.05524	8.0
175.06337	0.3
175.07567	2.1
176.07088	11.4
177.07878	0.4
178.08647	23.1
179.08910	0.3
188.07031	1.9
189.07860	23.6
190.08653	0.6
191.09398	2.2
192.10234	0.3
195.07965	0.3
201.83098	0.3
202.08768	0.2
209.09569	0.3
213.07932	0.4
214.08617	1.3
216.10193	0.4
221.06859	4.8
223.07504	0.3
226.08669	0.3
228.10214	6.3
229.10913	0.9
235.07558	0.5
238.09909	0.5
239.10800	0.3
242.11751	0.8
243.12556	3.1
249.09181	0.4
250.09996	1.4
251.07095	0.3
255.10239	0.4
256.13303	0.7
257.14047	0.3
258.14911	32.0
259.15292	0.4
266.09354	0.6
266.11832	0.5
267.10168	1.8
268.10873	0.2
269.08133	0.3
271.09637	0.3
279.10205	0.5
280.10773	0.5
280.13455	0.3
281.08203	0.4
281.11664	3.0
282.12531	2.1
283.09839	0.6
284.10382	0.7
294.12192	0.3
296.10031	0.3
298.11990	1.4
298.18182	0.3
299.12711	0.3
306.11224	0.5
308.09378	0.2
308.12753	0.6
309.13635	2.0
310.10718	1.1
310.14197	0.4
312.12405	0.5
313.14474	1.3
322.10727	0.6
324.12421	0.4
325.78079	0.3
326.13895	3.3
328.15448	0.6
338.14209	0.3
338.21158	4.5
340.15448	100.0
341.15726	1.6
342.17026	38.5
343.13165	0.2
343.17410	0.7
408.21725	3.5
410.23325	0.8
472.24567	0.3
476.27924	0.3
488.28152	2.4
490.29550	5.9
492.31082	10.3
761.14142	0.3
783.66113	0.3
806.20801	0.3
817.44287	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	811.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.4
61.02927	4.8
67.05511	5.5
69.03433	3.7
69.07075	2.0
71.55021	0.6
73.02927	4.2
79.05495	4.0
81.03421	1.7
81.07056	5.6
83.08620	1.2
85.02901	5.9
87.04462	0.6
91.03960	3.0
91.05484	3.4
93.07049	6.8
95.04971	0.6
95.08620	4.3
97.02907	4.7
99.04475	1.4
101.02385	1.8
105.07021	3.2
107.08565	2.8
109.02901	1.4
109.10183	2.0
117.07053	1.4
119.08578	2.9
121.10160	2.2
127.03941	2.1
131.08607	1.6
133.10175	1.6
135.11725	1.1
143.08629	0.7
145.10138	0.7
159.11775	1.3
161.13277	0.6
163.44800	0.6
171.11771	0.7
175.15025	0.6
182.72745	0.5
208.00851	0.6
219.17578	2.1
226.83243	0.6
243.08594	2.6
281.81824	0.6
315.19162	3.3
335.25815	1.0
519.29303	5.3
533.27094	5.5
811.49713	100.0
812.49854	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	813.512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.8
57.07079	0.6
59.04980	0.5
60.96893	0.3
61.02639	0.5
61.02929	5.7
61.74374	0.3
67.05505	5.4
69.03437	3.0
69.07081	1.3
69.33196	0.3
69.86795	1.1
71.01366	0.5
71.04986	0.6
73.02924	4.7
77.46522	0.3
79.05499	5.2
81.03420	1.5
81.07063	5.0
83.04984	0.3
83.05555	0.3
83.08649	0.5
85.02911	5.2
85.06562	0.4
87.04495	0.5
91.03975	3.8
91.05486	3.4
93.07053	6.0
95.04997	0.5
95.08611	4.2
97.02895	5.2
99.04471	1.3
101.02381	2.2
105.07033	3.0
107.08583	2.4
107.09182	0.3
109.02914	0.8
109.10167	1.4
117.07024	1.1
119.08587	2.8
121.10146	2.4
123.11737	0.4
123.96215	0.3
126.13824	0.3
127.03949	1.9
129.05486	0.6
129.07037	0.5
131.08592	1.0
133.10129	1.7
135.11728	1.3
143.08620	0.3
145.10139	0.8
147.11732	0.6
149.13245	0.7
159.11723	0.6
161.13268	0.6
171.11647	0.3
173.13263	0.5
185.04271	1.4
206.50136	0.3
223.76300	0.3
241.19705	0.3
243.08435	3.3
301.08981	1.2
315.10629	0.7
317.21017	0.7
335.25821	0.8
373.11221	0.6
387.12915	0.4
397.18433	0.6
432.80920	0.3
449.59607	0.3
465.20999	0.7
467.22961	0.4
502.05338	0.3
519.29272	7.0
535.28766	6.4
591.31818	0.7
600.82703	0.4
743.43823	0.5
783.96332	0.4
813.51208	100.0
814.51849	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	817.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
67.05502	3.7
69.03416	0.6
69.07066	0.8
78.04720	0.5
79.05499	6.4
81.07059	7.0
89.03970	0.3
91.05495	4.5
93.07043	1.7
95.04977	1.0
95.08625	2.4
97.02909	0.5
97.06514	0.4
97.10165	0.4
103.05460	3.2
104.06228	1.0
105.03435	0.3
105.07033	8.1
107.04945	2.4
107.08586	1.5
108.05743	1.3
109.06532	0.9
109.10174	1.6
110.09668	0.8
115.05470	1.0
118.04158	1.4
119.04942	1.5
119.08609	0.8
120.05716	1.3
121.06501	2.5
121.10151	0.6
122.07285	0.8
131.08569	0.6
133.06493	6.4
133.10138	0.3
134.07278	10.1
135.04439	3.9
135.08060	3.7
136.05222	0.7
137.06018	1.6
137.09625	0.6
143.04933	3.8
145.10136	0.4
146.06036	1.5
149.05988	0.8
150.06772	26.1
151.07556	14.1
156.04411	0.8
157.17131	0.3
159.08130	0.5
160.05153	0.5
161.04684	0.6
161.06012	0.4
163.06306	2.6
163.07509	0.5
165.09122	81.4
166.09427	0.7
174.05513	8.5
175.06239	0.7
175.07565	2.8
176.07088	13.6
177.07857	0.8
178.08646	30.8
179.08739	0.4
184.07156	0.3
188.07065	1.2
189.07848	20.1
190.08528	0.7
191.09389	2.8
192.10060	0.5
210.10321	0.4
213.07898	0.6
214.08653	1.5
216.10239	0.5
220.08641	0.3
221.06876	6.4
221.09314	0.6
222.10396	1.0
223.07593	0.5
225.09196	0.3
228.10202	6.9
229.10971	0.9
230.11922	0.4
235.07532	1.1
237.09122	0.9
238.09944	1.0
239.10643	0.5
241.08510	0.4
242.11760	1.0
243.12601	3.6
249.09105	0.9
250.09892	1.8
251.07123	0.9
251.10620	0.8
253.12221	0.9
254.09285	0.4
255.10101	0.6
256.13431	0.5
257.14069	0.7
258.14914	33.1
266.09460	0.9
267.10101	3.0
267.12308	0.3
268.10858	0.5
269.08157	0.8
269.11560	0.4
271.09744	1.0
279.10205	0.6
280.10840	0.7
281.11743	7.4
282.12527	5.4
283.09659	1.2
284.10394	1.5
286.12073	0.6
294.12036	0.5
296.10410	0.7
298.12057	2.9
299.12814	0.5
308.12894	0.7
309.13568	1.7
310.10794	1.2
310.14288	0.8
312.12024	0.4
313.14325	2.9
324.12076	0.6
324.19473	0.4
326.13879	3.5
327.14648	0.5
328.15363	1.1
338.14035	0.7
338.21222	4.6
340.15451	100.0
341.15884	1.6
342.17020	86.9
343.17331	1.8
408.21704	6.2
410.23380	1.0
472.24777	0.7
488.27856	1.8
490.29568	5.8
492.31097	13.5
493.31473	0.4
655.43890	0.6
671.78912	0.4
817.43878	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03192	1.4
57.03441	17.9
57.07066	3.9
60.33247	1.1
60.61882	1.2
61.02914	3.8
65.03932	5.2
67.05512	96.9
69.03429	3.1
69.06725	1.7
69.07071	21.8
70.14646	5.1
70.93348	1.0
71.04981	4.8
71.08627	1.2
73.02888	1.1
77.03912	1.8
79.05500	64.8
81.03429	1.6
81.07064	77.2
83.04975	3.7
83.08200	1.3
83.08628	10.7
85.02890	2.8
85.06537	3.2
91.03958	1.4
91.05489	50.2
91.16342	1.0
93.07056	74.9
95.04972	6.4
95.08614	55.6
97.02877	3.3
97.06526	4.9
97.10183	5.8
99.08084	3.1
103.05506	1.3
105.04548	1.9
105.07041	39.5
107.08602	43.8
109.06504	3.9
109.09461	2.0
109.10168	29.0
111.08096	3.4
113.09669	1.1
117.07026	15.5
119.07806	2.2
119.08595	33.7
121.10156	31.4
123.08070	2.9
123.11716	6.9
125.09608	4.9
127.03902	1.7
129.05507	2.0
129.07011	6.3
131.08592	19.5
133.10144	25.5
135.08035	1.7
135.11714	20.4
137.09607	3.1
137.13281	2.0
139.11195	1.7
143.08563	3.7
145.10158	18.7
147.11693	18.6
149.09576	1.3
149.13234	12.5
151.11182	3.0
157.10129	5.6
159.11707	14.1
161.13243	12.8
163.11157	1.9
163.14833	3.2
165.12640	1.7
171.11694	4.6
173.11954	1.4
173.13306	9.7
175.14825	4.8
177.12755	1.6
177.16371	1.8
183.11670	2.0
185.13257	6.8
187.14787	6.4
189.11206	2.1
189.16397	1.7
197.13379	1.3
199.14842	3.8
201.16388	2.4
205.15894	1.8
227.12724	2.3
229.14357	3.6
231.21014	2.0
241.19647	8.2
242.09146	1.2
243.21080	1.9
257.19092	2.5
257.91681	1.2
259.20605	23.9
261.22171	9.9
277.21680	15.9
295.22656	1.3
301.66931	1.2
315.23358	2.7
317.24728	2.7
333.24292	14.3
335.25821	100.0
336.26193	1.9
337.27185	1.7
351.25339	37.8
352.25473	1.1
391.70291	1.3
489.35458	3.3
529.38593	2.8
553.40833	1.3
555.42493	1.2
593.45972	2.8
611.46753	47.3
612.46973	1.7
629.47424	1.5
728.51099	1.2
808.51813	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.9
57.07059	1.5
65.03951	2.0
67.05508	30.6
67.78931	1.5
69.07071	9.3
71.04992	1.5
79.05500	23.7
81.07066	27.1
83.08600	4.2
91.05483	23.6
93.07046	25.7
95.04950	3.1
95.08064	1.5
95.08615	19.7
97.06499	1.7
97.10159	3.6
103.05419	1.6
105.07039	29.1
107.04977	2.4
107.08595	13.5
109.10166	9.8
117.07006	8.2
119.07799	2.6
119.08592	34.0
121.06503	1.5
121.10143	10.4
123.07989	1.6
123.11732	2.5
131.08537	10.5
133.10138	24.4
135.08047	3.4
135.11687	6.4
139.56482	1.9
145.10104	9.8
147.11699	17.6
149.09686	2.7
149.13286	2.1
155.08537	1.9
157.10191	2.2
159.11694	9.1
161.13261	4.9
169.24794	1.6
171.11742	3.8
173.13293	5.8
197.13203	2.6
239.17961	3.1
247.20636	3.0
257.18915	4.3
259.34650	1.8
275.20071	46.4
291.96268	1.9
304.26349	1.8
335.25812	46.3
349.23682	18.3
609.45203	100.0
610.45215	2.7
752.52917	1.6
795.80847	1.8
800.89832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.4
57.07079	2.2
65.03921	1.6
67.05514	39.4
69.07073	10.2
70.48906	1.4
71.56540	0.9
71.56946	1.7
77.02667	1.2
79.05066	2.2
79.05499	31.9
81.07064	35.6
83.08606	4.8
85.06535	3.7
91.05485	37.7
93.06476	2.2
93.07049	32.8
93.22240	1.1
95.04954	2.8
95.08612	27.7
97.06532	1.7
97.10158	2.5
99.04436	2.7
99.40096	1.1
103.05460	1.1
103.55145	1.1
105.04518	2.1
105.07039	24.5
107.04946	4.0
107.08598	16.6
109.06493	4.4
109.10158	11.4
111.08072	1.4
117.07030	13.5
119.08594	18.9
121.06517	2.0
121.10145	10.8
123.08083	2.0
123.11729	2.5
129.06981	1.3
131.08578	17.4
133.10158	10.8
135.11687	6.6
137.09598	2.2
140.44392	1.2
143.08551	2.0
145.10141	11.2
147.11731	5.3
149.09612	2.6
149.13266	1.9
153.12782	1.6
157.10159	2.0
159.11690	5.9
161.13272	2.5
173.13303	2.8
175.14859	2.2
185.13206	2.3
201.16347	2.2
203.14351	2.8
219.17459	99.4
239.17900	2.1
257.19000	1.4
261.21991	1.5
275.20108	15.5
275.22894	2.3
301.92130	1.2
304.26306	1.3
335.25830	73.5
349.23828	14.3
423.26312	1.4
543.40234	2.0
609.45184	100.0
610.45300	4.6
685.77753	1.3
687.22827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	52.1
59.05002	14.2
67.05502	1.1
69.07065	2.1
70.63638	1.3
71.04999	0.9
71.08632	47.9
73.02917	2.7
73.06551	5.5
79.05492	1.0
81.07053	1.7
83.04971	0.5
83.08614	1.7
83.73347	0.4
85.02902	0.6
85.06557	0.8
85.10184	46.4
87.04471	23.0
89.06033	100.0
91.03955	0.5
91.05473	1.4
91.07584	1.0
93.07035	0.9
95.04964	0.7
95.08612	1.4
97.10182	0.8
99.08121	0.5
99.11730	3.7
103.07582	6.5
105.07064	0.8
107.07076	2.0
113.06027	1.5
115.07568	0.7
117.09142	5.1
121.10183	0.5
129.06989	0.5
130.08640	3.0
131.07047	7.1
131.10617	0.6
133.08604	77.5
135.10147	1.1
141.16371	3.4
147.10115	0.5
147.11691	0.5
157.08633	0.9
161.11740	2.6
173.11743	0.6
175.09647	5.5
177.11229	35.1
179.12781	0.9
180.14491	0.5
185.18983	0.6
199.20566	4.1
219.12239	2.1
221.11804	0.7
221.13863	7.6
223.15482	1.1
239.14891	1.1
243.23190	5.2
265.16367	2.4
283.17465	1.8
309.19049	1.6
327.20020	1.1
353.21481	1.5
371.22775	0.8
375.24585	0.5
383.03894	0.7
397.24283	1.4
429.78937	0.5
441.26755	0.5
503.30536	0.9
547.33081	1.3
591.35840	6.3
626.44568	0.6
631.38348	1.2
761.54346	0.6
789.54651	1.6
806.58588	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	808.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	15.1
57.07074	5.9
59.33535	1.4
61.02928	3.0
65.03934	6.8
67.05508	92.2
67.17471	1.5
69.03442	1.5
69.06723	2.1
69.07072	20.8
71.05000	4.1
79.05499	75.0
81.03417	2.8
81.07062	86.5
81.52021	1.6
83.04987	3.0
83.08628	11.7
85.02911	2.7
85.06555	3.7
91.05486	78.7
93.07048	100.0
95.04955	7.9
95.08611	70.5
97.02913	1.5
97.06509	3.2
97.10180	5.1
103.05521	1.7
105.04504	2.8
105.07036	73.1
107.08604	47.2
109.06477	2.7
109.10160	29.1
111.08041	2.6
115.05460	2.0
117.07014	23.2
119.08588	63.4
121.10148	38.8
123.08085	2.4
123.11731	7.2
125.09633	1.9
128.06247	2.3
129.06996	9.5
130.07774	1.7
131.08577	39.3
131.09492	2.0
133.06482	2.1
133.10136	43.6
133.11092	3.2
134.39749	1.4
135.11693	27.5
137.09618	2.3
137.13263	2.2
143.08592	9.2
144.09358	2.2
145.10138	28.5
147.11691	35.9
149.09657	2.2
149.13243	14.9
155.08537	3.1
157.10155	12.0
159.11713	25.8
161.13271	24.9
163.14795	5.4
169.10202	3.1
170.10925	1.9
171.11700	14.5
173.13219	16.9
175.14844	11.6
177.12726	1.5
183.11728	3.1
185.13271	9.4
187.14867	5.8
189.12808	1.7
189.16318	1.9
195.11784	1.8
197.13252	3.3
199.14801	8.1
201.16360	2.7
210.01619	2.0
213.16405	4.4
215.17969	2.5
231.21135	5.4
239.17969	1.9
241.19560	22.1
243.21150	4.6
245.22543	2.0
257.19034	6.5
259.20584	61.5
261.22180	9.1
275.20212	1.8
315.23151	6.1
317.24789	1.9
331.22855	2.8
333.24268	55.5
335.25836	90.3
336.26196	3.1
337.27219	4.6
349.21536	1.7
367.22763	2.1
480.08835	1.7
519.42102	7.8
537.42792	2.3
593.45776	16.8
611.46771	60.9
701.47522	2.4
719.48608	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58051	0.2
71.56790	0.4
79.48336	0.2
90.20867	0.2
91.05466	0.2
99.17012	0.2
107.04969	0.2
115.05478	0.9
137.05965	0.9
143.03915	0.3
143.04948	4.8
151.07550	6.3
160.05154	0.2
161.06035	0.2
163.06300	1.8
165.06964	0.3
165.09111	0.3
175.07544	3.5
178.08644	26.7
179.08762	0.4
189.09076	0.5
195.08090	0.7
207.07976	0.5
209.05913	0.3
209.09663	1.3
210.10442	1.2
211.07556	0.9
212.08409	0.3
221.09534	0.5
222.06873	0.2
222.10408	0.8
223.07599	1.4
224.08296	0.3
225.09129	0.5
226.10066	1.1
227.10675	0.7
230.11641	0.3
231.58713	0.2
235.07582	1.1
237.09091	1.5
238.09898	3.8
239.07045	0.8
239.10666	1.5
240.07695	0.2
241.08607	0.7
241.12279	1.8
242.12610	0.2
243.10175	0.2
249.09074	0.8
250.09926	1.9
251.07063	0.8
251.10632	0.4
253.08562	0.3
253.12248	1.7
254.09410	2.4
255.10147	3.1
256.10870	0.2
266.09326	0.7
267.10153	3.3
267.12778	0.3
268.10968	0.3
269.08252	0.9
269.11734	9.6
270.09293	0.4
270.12503	7.0
270.15402	0.3
271.09662	1.1
271.12585	0.3
272.10419	0.3
281.11725	5.4
282.12509	4.3
283.09579	1.1
283.12320	0.3
284.10434	2.2
285.11026	0.3
286.12021	2.5
298.11798	2.4
298.13971	0.4
299.12793	0.3
301.14221	0.8
313.14346	2.6
314.48383	0.2
315.14453	0.4
330.17001	100.0
331.17352	2.6
368.28445	0.2
564.26093	0.2
610.51746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.7
57.07077	97.4
59.05004	49.7
67.05515	1.9
69.07064	3.1
70.66521	2.6
71.08633	100.0
78.68266	1.0
81.07053	2.1
83.08619	3.2
85.10185	95.5
87.04465	8.7
89.06036	41.1
97.10178	1.9
99.11735	11.6
101.09663	6.0
103.07586	1.8
117.09138	17.1
130.08653	1.9
131.07053	1.7
133.08611	31.5
141.16400	11.4
147.10211	1.5
175.09702	1.6
177.11240	16.3
184.07372	1.8
199.20587	29.5
219.12303	1.4
221.13824	2.6
237.68631	1.1
240.23260	4.1
257.24759	35.4
257.27435	2.4
283.17502	1.2
315.28995	2.8
379.47348	1.1
415.25409	10.0
455.28497	1.1
473.86282	1.3
513.78033	1.1
804.60980	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	804.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.0
57.07079	100.0
58.07396	0.7
59.05004	31.4
65.01447	0.5
67.05494	2.4
69.07047	1.7
69.23693	4.7
71.08634	68.0
73.06554	1.0
77.97723	0.5
79.05495	1.0
81.07049	1.5
83.08613	2.3
83.34884	0.6
85.10186	57.2
86.09682	1.6
87.04475	8.2
89.06039	42.9
91.05469	1.5
93.07038	1.1
95.04953	1.3
95.08605	1.1
97.10187	3.2
99.11742	11.2
101.06025	1.0
101.09651	2.6
103.07549	0.5
107.08578	0.8
109.06516	1.2
109.10184	0.7
113.05977	0.8
113.13282	4.2
117.09140	10.1
124.99976	1.0
130.08658	1.2
131.07051	3.0
133.08611	33.9
135.08064	1.3
147.10124	0.7
147.34457	0.6
155.17953	8.9
158.11652	0.8
175.09668	3.1
177.11238	16.3
184.07361	4.2
213.22151	18.3
219.12234	0.7
221.13831	3.8
239.14801	0.7
254.24825	2.3
265.16434	0.7
271.26349	18.7
273.18552	0.9
283.17532	1.8
291.19553	1.6
309.18893	0.7
327.20166	0.7
335.25854	1.6
371.22516	1.0
397.24481	0.9
415.25458	1.3
459.28018	8.2
490.45062	0.6
499.31183	1.1
517.32098	1.6
625.44336	1.2
804.60223	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	805.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26156	0.3
56.96290	0.6
56.96569	9.4
59.16199	0.2
64.80818	0.3
69.24152	0.3
69.87959	1.4
70.06591	0.5
71.95264	1.0
81.03395	0.4
84.96039	18.5
85.02892	0.5
91.05491	1.6
97.45565	0.3
97.96804	4.8
98.97588	56.0
102.97073	1.0
110.96951	0.2
110.97575	13.5
112.99144	7.1
115.97847	1.8
116.98627	18.9
124.99136	0.6
126.96294	0.3
126.97025	1.4
127.03917	0.4
128.98615	12.1
131.00191	6.8
133.98898	0.4
134.99655	3.5
140.00171	1.5
140.98558	2.1
143.00182	2.4
144.98096	5.2
146.99660	3.5
149.01230	1.9
152.00209	0.3
152.98579	0.6
154.01720	0.3
157.98900	1.4
158.99669	11.9
161.01222	1.7
162.99136	3.2
165.00764	0.3
167.07056	0.5
170.01201	0.3
170.99657	2.8
173.01231	4.8
174.02344	0.4
174.99147	0.9
175.99942	0.7
176.03903	0.5
177.00725	8.7
179.03862	0.5
182.99721	0.6
185.01228	0.4
186.99231	0.8
189.00732	2.2
191.02284	2.4
192.03371	3.5
195.01825	0.8
199.99983	0.6
200.02296	0.7
200.03853	0.8
201.00700	3.8
203.02283	0.6
204.03348	6.0
205.00244	0.7
207.03419	0.4
208.02904	0.6
210.04362	2.3
217.00343	0.3
218.01259	0.5
218.04916	14.2
219.01776	15.9
222.04422	1.9
230.04944	1.6
231.01791	0.4
234.04417	3.3
236.05984	2.5
237.02831	16.3
238.03845	0.5
242.03403	1.0
243.01744	0.3
246.04367	1.4
248.06010	0.6
252.05502	1.7
255.03906	0.5
258.04422	0.5
261.02924	0.3
262.03949	0.6
264.05383	1.2
270.04297	0.5
276.05484	2.2
278.07080	0.8
284.02411	0.2
288.05484	0.8
294.06467	0.5
312.43771	0.3
318.06494	1.2
334.05917	0.4
336.07547	89.9
337.07739	1.5
354.08487	0.7
364.07056	0.7
378.08609	100.0
379.08966	1.6
396.09659	3.5
422.07574	5.4
438.10330	1.2
514.18298	0.3
784.78992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.7
57.03447	4.4
57.07068	0.7
61.02930	9.8
65.03943	1.6
67.05511	19.5
69.03430	5.1
69.07074	5.8
71.04993	1.2
71.54662	0.5
73.02916	4.4
79.05495	13.5
81.03416	1.9
81.07059	18.2
82.76534	0.5
82.96156	0.6
83.04980	0.9
83.08633	3.2
85.02909	8.5
86.64449	0.5
86.73704	0.5
90.53455	0.5
91.03963	4.6
91.04385	0.5
91.05482	11.4
92.67857	0.5
93.07050	13.3
95.05003	1.5
95.08609	15.9
97.02896	6.3
97.06552	1.1
97.10177	1.4
97.90872	0.4
99.04475	0.9
101.02375	1.1
103.05467	3.9
104.07158	0.6
105.07038	6.2
107.04948	1.0
107.08605	7.2
109.02858	0.6
109.06538	1.6
109.10157	5.9
111.08104	1.0
115.05489	1.8
117.07014	4.8
119.04969	1.1
119.08592	5.7
121.06523	2.1
121.10161	4.8
123.04452	3.5
123.08060	0.8
123.11744	1.9
127.03902	1.0
128.06248	0.8
129.06990	2.7
131.04938	9.3
131.08539	4.5
133.10141	3.8
135.11707	2.6
137.05977	13.2
137.06929	1.0
137.09589	1.0
139.94888	0.6
141.06964	1.1
143.04965	1.2
143.07607	0.5
143.08629	2.2
145.06493	6.3
145.10155	2.3
146.06042	1.2
147.04417	11.4
147.08049	0.9
147.11710	1.9
149.05992	22.0
149.13229	0.7
151.03882	0.9
151.07596	2.1
152.07039	0.8
154.08640	1.5
155.08620	0.7
157.06488	2.9
157.10187	1.3
159.08121	2.0
159.11755	1.9
161.05989	8.4
161.13240	1.2
162.05493	0.8
163.06279	0.8
163.07529	8.4
164.07069	9.1
165.05513	1.5
166.08673	5.3
171.08113	2.0
171.11737	0.7
173.06009	7.1
173.13277	1.4
175.07549	10.9
176.07098	1.0
177.09135	1.9
178.08609	4.7
179.08894	0.8
181.10191	0.6
187.07578	4.3
189.09126	4.3
199.07552	2.3
199.14865	0.6
209.13358	1.0
213.09120	0.7
227.11005	0.6
227.14548	0.8
243.13652	0.6
245.15407	0.8
255.13756	3.1
273.14883	5.1
275.20093	0.7
290.17508	5.9
328.15405	3.2
329.15726	1.3
335.25806	6.3
342.16922	0.9
346.20166	0.6
362.34836	0.6
364.21246	2.7
382.22269	2.4
389.26877	0.6
410.23654	0.6
445.29501	12.0
463.30215	2.9
497.31268	1.3
642.43732	23.5
804.48926	100.0
805.48987	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	804.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	6.6
57.07082	18.4
58.06338	1.4
59.05005	19.8
61.02925	2.1
67.05494	5.8
68.99798	3.1
69.03437	14.9
69.06722	2.4
69.07070	32.6
71.04988	2.9
71.08611	5.5
71.56779	1.7
71.83268	1.5
73.02893	2.4
73.72705	1.6
78.22736	1.5
78.98051	1.6
79.05479	2.7
81.03421	23.6
81.07055	8.6
83.04975	4.9
83.08627	100.0
85.02910	34.2
87.00844	12.4
87.04470	3.5
89.06043	17.6
91.05472	5.7
93.07058	3.7
95.04971	5.3
95.08615	6.9
97.02887	13.2
97.06473	2.0
97.10174	37.4
99.04458	5.7
101.09634	2.1
103.03967	1.7
103.07580	3.3
105.01886	9.0
105.07014	2.4
107.08522	1.8
109.02885	27.8
109.10217	2.4
111.04436	6.7
111.11709	2.4
115.03907	1.9
117.09119	6.4
121.06547	2.7
123.04394	1.9
123.85266	1.8
125.05992	2.0
127.03923	27.3
133.08606	18.0
134.21614	1.7
145.04953	4.2
151.09650	2.7
155.14311	6.6
157.15900	25.2
157.86385	2.1
159.02885	5.9
167.07065	3.6
175.16939	7.0
179.68381	2.0
184.07376	2.3
185.08104	2.4
191.12750	7.3
209.13837	5.3
213.03935	6.8
215.20073	27.9
229.21675	2.5
231.05055	5.1
233.21196	4.5
249.17014	4.9
265.18088	2.6
267.18011	4.7
273.24249	24.1
287.25766	2.5
289.09140	4.7
291.25262	3.3
307.20993	1.8
325.22137	2.0
331.28525	7.7
342.17087	3.2
343.17282	3.1
427.23062	2.4
467.15048	1.6
539.41742	15.4
601.47864	1.7
804.47656	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	804.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75611	0.3
67.67808	0.3
67.91801	0.3
69.87214	1.5
70.06592	0.6
79.20021	0.3
91.05489	0.8
107.04960	1.2
108.05772	0.5
115.05457	4.0
119.04954	0.6
124.05273	0.4
125.51006	0.3
131.04965	0.4
135.06816	0.5
135.87781	0.3
136.05220	1.6
137.02708	0.3
137.05997	3.4
143.04933	17.2
144.05267	0.6
144.77431	0.3
151.07553	24.7
152.07889	0.7
160.05247	1.6
163.06287	7.8
163.07597	0.5
165.09166	1.0
175.07570	14.2
176.07912	0.7
178.08646	100.0
179.09000	4.6
180.09238	1.0
189.09128	1.2
214.18286	0.3
221.09650	0.5
222.10419	0.5
224.13847	0.3
238.09875	0.5
250.09984	0.4
253.12250	1.2
267.10135	0.9
281.11810	1.6
282.12448	1.3
298.11884	0.5
313.14355	5.7
314.14502	0.3
330.17017	66.9
331.17365	4.8
332.17801	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.8
57.03178	0.7
57.03435	2.7
58.87229	0.7
61.02631	0.9
61.02927	7.8
63.53475	0.6
64.14557	0.6
65.03941	1.5
66.74229	0.6
67.05175	1.1
67.05509	18.3
69.03436	5.0
69.07064	5.3
71.04990	1.0
71.56184	0.6
71.56559	0.8
73.02926	5.5
79.05496	10.9
80.05039	0.6
81.03419	2.7
81.07059	15.0
83.04966	1.4
83.08612	2.8
85.02897	7.8
85.06534	1.1
91.03964	3.6
91.05481	10.1
93.07043	12.0
95.04984	1.4
95.08612	14.3
97.02897	7.6
97.06547	0.9
97.10178	1.5
99.04551	0.7
101.02358	1.5
103.05476	3.3
105.07018	5.5
107.08591	5.9
109.02881	0.7
109.06531	1.6
109.10164	5.0
114.83844	0.7
115.05447	1.3
117.07019	3.4
119.04945	1.6
119.08582	3.8
121.06501	2.1
121.10146	3.9
123.04422	3.4
123.08092	0.9
123.11747	1.1
127.03951	1.6
129.07014	2.2
131.04942	6.8
131.08569	4.3
133.06544	1.1
133.10170	2.3
135.08067	1.0
135.11679	3.2
137.05980	14.1
137.09625	1.6
143.04938	1.5
143.08591	2.1
145.06511	5.1
145.10143	1.9
146.05997	0.9
147.04424	8.7
147.11726	1.3
149.05986	21.6
149.09569	0.7
149.13197	1.0
150.06735	0.6
151.07556	3.6
154.08676	1.4
157.06516	2.5
157.10153	1.0
159.08057	1.3
159.11769	0.8
161.05991	9.4
161.09686	0.8
163.06305	1.3
163.07565	8.8
164.07079	8.3
165.05566	1.7
165.09161	3.0
165.10544	0.5
166.08614	5.0
171.08131	1.5
173.05981	7.3
173.07109	0.6
173.13268	1.1
175.07542	10.7
175.08986	0.7
176.07108	2.7
177.09134	1.5
178.08627	4.3
179.08977	0.9
187.07555	3.1
189.07736	1.6
189.09280	3.6
190.08377	1.0
194.11266	0.6
199.07556	2.4
199.14799	0.7
209.13319	0.7
213.09247	1.6
218.47952	0.7
227.14340	1.0
237.12698	0.9
237.61006	0.6
255.13846	2.6
258.14877	0.9
259.15344	1.1
273.14886	4.7
288.16324	0.8
289.76550	0.6
290.17526	6.1
291.19501	1.4
296.40216	0.7
308.18594	1.3
326.14035	2.6
327.14346	0.9
328.15494	2.4
329.15872	1.3
335.25720	4.2
339.66226	0.8
340.15552	2.9
341.15842	2.5
342.17111	5.9
343.17270	2.9
346.20166	0.8
349.23602	0.9
353.24878	0.7
364.21100	4.1
382.22400	1.7
390.78751	0.6
445.29651	7.7
448.18784	0.6
463.30618	2.0
466.35455	0.6
477.28619	0.9
557.34711	1.8
642.43640	20.7
643.44196	1.1
771.65436	0.7
804.48907	100.0
805.49841	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	803.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.2
57.07080	5.4
57.15783	1.9
59.04998	3.5
61.02931	10.5
64.01761	1.9
65.03945	7.2
67.05506	100.0
68.41917	1.8
68.42393	1.7
69.03431	22.0
69.07071	42.9
71.04984	10.5
71.08628	2.0
73.02916	3.1
79.05497	84.4
81.03425	25.5
81.07062	82.6
83.04984	16.0
83.08613	21.6
85.02909	17.9
85.06554	7.4
91.03953	4.2
91.05488	73.8
93.07050	66.5
95.04986	20.7
95.08609	53.6
97.02879	19.1
97.06535	39.2
97.10183	23.4
99.04433	4.3
99.08106	2.0
102.93256	1.8
103.05486	4.2
105.07036	64.1
107.04950	23.1
107.08604	63.4
107.09168	1.1
109.02891	7.1
109.06521	11.3
109.10166	36.5
111.04495	3.8
111.08089	6.2
115.05455	4.2
117.07025	35.5
119.04983	2.3
119.08584	52.8
121.06509	9.2
121.10143	25.3
123.08073	9.0
123.11716	7.3
125.09622	21.7
125.15218	1.9
126.34731	2.3
127.03955	7.4
128.06226	6.2
129.05513	3.5
129.07016	14.9
130.07843	2.6
131.04936	2.1
131.08575	41.5
131.12083	2.0
133.06500	5.9
133.10133	37.1
135.08044	10.2
135.11705	12.1
137.09608	8.5
139.11162	2.1
141.07024	8.1
142.07747	4.1
143.08534	16.7
145.06520	5.5
145.10123	36.3
147.08057	3.8
147.11699	29.0
149.09621	28.3
149.13309	6.1
151.11235	5.6
153.09181	2.9
155.08542	10.2
155.10733	2.5
157.10126	19.2
159.08086	5.5
159.11690	25.8
161.09624	5.7
161.13280	9.0
163.11185	15.6
165.09178	2.6
167.08588	4.1
169.10136	11.4
171.10376	2.6
171.11688	10.7
173.04504	5.3
173.09573	6.1
173.11760	7.4
173.13289	9.5
175.11200	6.8
177.12747	6.5
179.08571	2.4
179.14307	4.7
181.10133	3.7
183.11678	11.6
185.09584	2.3
185.13354	4.9
187.11191	7.5
187.14859	5.3
189.11238	11.2
189.12724	2.5
191.14410	2.8
193.12221	2.3
195.11717	3.8
197.13293	6.2
199.11166	2.7
199.14844	5.1
201.12819	4.5
203.14380	2.1
205.12395	2.5
207.11638	2.1
209.13324	5.2
211.14767	4.7
213.16429	3.4
217.15939	2.4
221.13289	2.3
227.12746	29.7
227.14615	2.9
227.17953	2.3
229.12283	3.2
229.14281	12.8
229.19533	6.0
237.16423	4.1
239.17998	7.4
245.19099	2.3
247.20667	4.0
257.18967	19.2
259.20511	2.6
269.17319	2.1
273.18561	4.6
275.20071	96.3
276.20547	3.3
283.20551	2.7
291.19641	4.4
293.21103	6.0
313.21481	2.2
323.94135	2.0
331.22653	3.2
349.23730	60.7
367.24936	4.7
381.27954	2.2
395.29617	3.4
445.29709	2.4
456.03818	2.2
493.27161	2.5
503.33679	5.7
511.34106	3.6
519.32581	4.6
525.35748	3.5
527.37439	4.3
529.35077	7.7
543.36823	16.1
605.41895	5.7
623.43097	62.4
624.42877	3.9
641.33508	2.5
641.44055	42.2
687.40741	5.8
689.43408	2.2
767.47052	2.7
785.47723	8.1
803.48730	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	803.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	21.0
57.07069	4.6
60.84956	2.0
61.02921	7.7
65.03941	5.4
67.05509	88.1
69.03428	7.7
69.07074	24.4
69.30364	21.0
71.04987	9.2
73.02912	2.1
74.77289	2.0
79.05498	60.3
80.82675	2.0
81.03435	13.5
81.07063	59.0
83.04981	7.5
83.08637	11.0
85.02914	7.4
85.06547	15.8
89.55389	2.3
91.03961	2.5
91.05489	68.9
93.07046	55.1
95.01379	2.9
95.04977	55.0
95.08609	48.7
97.02901	6.3
97.06540	13.7
97.10169	6.3
99.08112	2.2
103.16111	2.3
105.04511	2.4
105.07038	60.2
107.04945	17.2
107.08597	40.1
109.02863	2.5
109.05792	4.0
109.06528	66.3
109.10158	15.6
111.04493	2.7
111.08080	5.6
113.06004	43.0
115.05430	3.3
116.06226	2.4
117.07026	35.8
118.98276	2.1
119.08581	42.9
121.06503	10.2
121.10149	21.0
123.04424	2.6
123.08083	10.5
123.11662	3.7
125.09675	4.2
128.06145	3.1
129.07010	22.0
131.08582	37.6
133.06525	4.6
133.08649	2.3
133.10144	27.9
135.08063	46.3
135.11734	16.2
137.05974	3.3
141.06984	7.6
142.07787	3.5
143.08591	18.5
145.06488	4.0
145.10130	27.4
147.08049	9.1
147.11691	17.0
149.09619	8.6
149.13258	6.4
155.08575	6.1
156.09341	2.9
157.10133	17.5
159.08061	7.1
159.11708	26.6
161.09644	10.3
161.13301	11.3
163.11208	6.2
163.14780	2.0
164.11804	2.0
169.10130	9.2
171.11699	17.6
173.09573	2.5
173.13182	11.6
175.11166	4.4
175.14807	8.0
177.12758	6.7
179.14221	2.5
181.10117	3.7
183.11713	6.0
184.07343	4.2
185.13237	11.2
187.11194	7.1
187.14830	7.0
191.14333	2.4
195.11966	3.2
197.13251	5.5
199.14824	8.5
201.16444	2.7
205.12411	2.5
209.13342	2.6
211.14711	2.7
213.16432	3.2
217.15938	9.2
227.17943	2.9
231.21077	2.9
233.15443	3.3
241.14273	3.5
241.19469	7.6
257.19031	6.0
259.20535	12.0
273.18454	20.7
275.20016	6.8
279.16000	19.3
291.19543	66.7
315.23267	3.2
327.26981	7.0
331.22980	2.8
333.24265	33.4
335.26022	3.6
347.22025	6.9
349.23767	7.8
365.23251	19.9
397.72754	2.4
513.36279	5.3
531.37781	4.2
543.36877	3.4
549.39240	4.0
565.38519	5.2
605.41907	18.0
623.43140	100.0
624.43494	3.3
641.44196	25.6
642.43951	2.4
785.48810	3.5
803.46234	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	799.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
61.02926	5.3
67.05499	7.5
69.03445	3.6
69.07078	1.7
71.08660	1.1
73.02921	4.0
79.05504	2.2
81.03434	2.1
81.07055	7.4
83.01354	0.6
83.05000	0.6
83.08633	1.2
85.02905	6.9
87.04470	1.1
91.03963	3.1
91.05485	1.6
93.07030	3.0
95.08620	5.5
97.02894	5.3
97.06529	0.5
99.04442	0.7
101.02383	2.3
105.07047	1.3
107.08608	1.3
109.02879	0.8
109.10165	1.9
119.08609	0.9
121.10165	1.6
127.03921	1.7
131.08644	0.9
133.10118	0.8
135.11705	0.8
140.44624	0.6
145.04858	0.6
149.13335	0.5
218.03825	0.5
243.08511	1.8
254.93881	0.5
335.25735	0.7
471.13995	0.5
501.67950	0.6
519.29364	5.4
521.30798	5.2
799.53271	100.0
800.53217	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	802.364
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63053	0.2
70.06594	0.3
70.43547	0.3
70.43874	0.4
78.14250	0.2
91.05464	0.7
91.79749	0.2
103.11816	0.2
106.04184	0.2
107.04958	0.8
108.05724	0.4
109.06422	0.2
115.05456	4.4
119.04942	0.3
119.70143	0.2
121.06566	0.3
134.06088	0.3
136.05232	1.1
137.05992	2.9
139.07584	0.2
143.04929	16.6
147.08090	0.2
150.06792	0.3
151.07545	23.7
158.07257	0.2
160.05202	1.5
163.06290	6.5
165.09111	0.9
174.06819	0.2
175.07558	14.5
178.08635	100.0
179.08989	0.9
189.09137	1.1
192.10194	0.2
203.04874	0.4
221.09569	0.3
222.10565	0.5
223.07535	0.3
233.11758	0.2
235.07533	0.3
238.09926	0.5
241.08730	0.2
249.09158	0.5
250.09818	0.6
253.12181	1.2
267.10202	0.9
281.11719	1.6
282.12540	1.4
283.09531	0.4
298.12097	0.6
313.14316	5.6
330.16998	69.2
331.17337	1.1
456.55197	0.2
640.26068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.8
57.03438	4.7
57.07081	0.7
57.64824	0.6
61.02934	5.9
65.03956	1.0
67.05510	20.4
69.03434	4.2
69.07072	5.3
69.94738	1.1
69.95141	2.3
71.01340	0.7
71.05004	1.7
73.02934	4.6
79.05496	11.9
81.03426	2.8
81.07064	16.8
83.04989	1.2
83.08627	2.7
85.02906	5.2
86.09705	0.8
88.64878	0.6
90.78011	0.6
91.03974	2.2
91.05478	5.9
93.07050	11.5
95.04970	1.5
95.08614	15.6
96.69984	0.6
97.02896	5.8
97.06541	0.9
97.10173	1.1
99.04485	0.8
99.11227	0.8
101.02395	2.2
105.07034	4.2
107.08604	6.5
109.02904	1.2
109.10163	6.0
111.08114	0.8
117.07040	1.3
119.08603	2.7
121.10155	5.3
123.11712	1.7
127.03928	2.6
131.08603	2.4
133.10165	2.0
135.11739	2.5
137.06015	2.7
145.04968	0.8
145.10159	1.7
147.11659	1.4
149.13286	1.2
159.11700	1.3
164.07071	1.2
175.06245	0.9
176.07114	0.7
177.07857	5.5
178.08556	3.5
184.07314	0.8
190.08626	6.2
191.09383	0.7
202.08693	2.1
204.10175	0.7
212.15129	0.7
229.07675	0.7
232.17113	1.7
260.16504	4.3
288.15955	42.6
306.16995	31.3
306.20370	1.3
335.25845	9.1
335.29465	0.9
342.17191	0.8
346.20227	1.3
349.16983	0.9
362.19550	7.4
380.20697	14.5
447.15750	1.4
451.42191	0.8
497.30869	0.7
535.07379	0.8
535.43781	0.7
622.41058	1.1
640.42084	25.4
641.42487	1.1
692.94891	0.7
802.47412	100.0
803.47522	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
61.02937	5.7
63.77182	0.5
65.03948	0.5
65.19676	0.5
67.05506	6.0
69.03431	3.7
69.07076	2.1
69.78749	2.0
69.79165	0.7
71.04996	3.3
73.02927	4.3
79.05498	4.0
81.03437	1.6
81.07065	7.8
83.05010	0.7
83.08646	1.2
85.02905	4.3
85.06548	0.8
87.04508	0.5
91.03970	3.5
91.05486	4.2
93.07055	3.7
95.04978	0.6
95.08627	2.8
97.02893	4.3
97.06533	1.1
99.04472	0.8
101.02407	1.5
105.07048	2.6
107.08618	2.1
109.10155	0.6
117.07061	1.1
119.08614	1.0
121.06438	0.5
121.10202	0.8
123.11729	1.1
127.03947	1.8
131.08595	1.3
133.10127	2.8
135.11725	1.2
145.04968	0.5
145.10120	0.6
147.11786	0.6
149.13283	1.0
151.11218	0.8
159.11777	1.3
178.08847	0.5
185.04271	0.9
187.13429	0.8
203.94243	0.4
243.08424	3.5
248.40854	0.4
257.17532	0.6
267.15790	1.7
321.40823	0.4
322.67993	0.5
333.20569	2.0
389.23264	0.5
427.19455	1.0
439.19357	0.7
453.21063	1.9
485.23553	9.6
535.28900	0.8
551.28516	5.5
721.41113	0.9
751.49591	0.7
795.45050	100.0
796.45428	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	797.517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
59.05006	0.2
61.02644	0.4
61.02934	6.3
67.05511	7.4
69.03434	3.6
69.07070	1.6
71.01395	0.3
71.04996	0.4
71.42155	0.4
73.02926	4.5
79.05502	4.5
81.03429	2.0
81.07063	6.2
83.04981	0.3
83.08607	0.4
85.02908	6.5
87.04479	0.3
91.03960	3.9
91.05482	2.4
93.07055	4.5
95.04984	0.4
95.08617	5.5
97.02898	5.0
99.04450	1.2
101.02377	2.4
103.03944	0.6
105.02276	0.2
105.07050	1.3
107.08596	2.4
109.02878	1.3
109.10135	2.0
115.03938	0.5
117.07078	0.5
119.08584	1.4
121.10154	1.9
123.11700	0.6
127.03923	2.3
131.08595	1.1
133.10139	1.0
134.05255	0.2
135.11679	1.4
144.01436	0.3
145.04971	0.5
145.10162	0.7
147.11665	0.3
149.13280	0.5
159.11729	0.3
161.13339	0.4
177.16573	0.3
183.06589	0.3
185.04251	1.0
203.05336	0.7
243.08461	2.5
318.40079	0.2
335.25882	0.8
428.91489	0.3
519.29297	11.0
637.81982	0.2
715.39441	0.3
797.51776	100.0
798.52264	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	792.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
57.03426	0.9
57.07076	32.5
59.05003	13.9
65.18961	0.7
67.05492	1.9
69.02631	0.6
69.07059	1.8
69.95720	3.4
71.08633	61.7
73.02918	2.0
73.06564	5.4
75.15765	0.7
75.38112	0.7
79.05498	1.5
80.36153	0.7
81.07051	1.9
83.08626	1.5
85.09658	1.2
85.10184	31.5
87.04466	20.6
89.06033	100.0
91.05474	0.9
91.65832	0.7
93.07047	1.5
95.08603	1.4
96.80445	0.7
103.07595	6.5
103.08188	1.0
105.06983	0.7
107.07082	2.0
113.05992	1.1
117.09130	6.9
127.14828	3.8
130.08650	2.5
131.07048	7.4
133.08603	72.1
135.10098	1.1
143.26822	0.7
161.11751	2.2
175.09653	4.9
177.09673	1.5
177.11226	30.9
184.07336	1.1
185.19012	5.0
193.42401	0.7
219.12277	2.5
221.13811	7.6
223.15388	1.3
229.21649	5.3
239.14851	1.6
265.16541	2.6
283.17615	2.3
309.19144	1.3
327.20230	1.7
335.25885	1.1
353.21762	2.1
397.24292	1.0
459.27740	1.1
547.32343	0.7
591.36005	6.4
631.39038	1.5
636.42572	1.3
775.54871	1.0
792.57220	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	794.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	19.1
57.07070	6.4
57.21722	1.4
65.03931	4.3
67.05511	97.6
69.03450	1.9
69.06724	2.1
69.07073	28.3
70.85736	3.9
71.08641	2.3
79.05501	45.1
81.07063	84.5
83.04985	2.2
83.08628	17.9
85.02899	3.3
85.06552	2.4
86.09698	2.2
87.04459	5.1
91.05491	26.2
93.07053	51.1
94.07377	1.9
95.04979	5.0
95.08617	66.1
97.02898	1.6
97.06534	5.7
97.10181	10.5
97.43446	1.6
99.08038	1.8
105.07030	19.8
107.08603	30.6
109.06570	1.8
109.10162	30.3
109.10866	1.0
111.08104	3.6
117.07014	6.5
119.08592	18.7
121.10153	29.3
123.11711	14.3
125.09622	1.9
131.08572	11.7
133.10139	16.0
135.11699	16.3
137.13252	4.4
143.08546	2.5
145.10136	10.3
147.11693	12.6
149.13290	9.6
151.14828	3.0
159.11710	6.5
161.13268	8.6
163.14842	7.1
173.13275	7.2
175.14842	3.2
177.16431	2.6
184.07327	4.1
185.13295	2.2
187.14880	3.4
189.16341	2.4
224.57510	1.5
233.22589	1.6
241.19623	2.5
243.21138	8.1
245.22656	4.6
259.20630	6.6
261.22174	21.2
263.23813	6.2
317.24625	4.9
333.24222	5.9
335.25833	82.3
336.26245	7.7
337.27399	100.0
338.27676	2.0
339.28912	6.7
353.07828	1.6
371.08215	1.6
377.69202	1.6
459.55688	1.6
523.45734	2.4
531.40558	2.0
597.48846	38.6
615.49921	33.0
753.74866	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.05513	16.2
57.03184	0.8
57.03442	11.1
57.07064	2.1
61.02929	3.0
65.03941	3.5
67.05508	62.1
69.03433	1.1
69.07070	15.2
69.19527	2.2
69.19959	3.2
71.04985	2.1
71.08620	0.6
77.03936	0.7
79.05496	39.7
80.06245	0.5
81.03441	0.7
81.07060	62.0
83.04996	1.1
83.08618	6.9
85.02914	2.6
85.06525	1.7
91.03967	1.0
91.05484	24.1
93.07047	46.2
95.04981	2.9
95.08609	45.9
97.02912	0.9
97.06498	2.4
97.10167	2.7
99.08097	1.3
105.04528	1.2
105.07033	18.8
107.08598	23.4
109.06534	1.3
109.10162	21.5
111.08086	1.6
111.11676	0.5
113.09647	0.5
117.07021	7.5
119.08582	15.7
121.06500	0.7
121.10148	19.5
123.08095	1.1
123.11711	8.5
125.09631	1.2
128.06305	0.5
129.07010	1.6
131.08569	11.1
133.10143	12.7
135.11705	13.6
137.09610	1.1
137.13240	2.4
139.11177	0.7
143.08553	1.7
145.10133	8.9
147.11703	9.0
149.13264	8.9
151.11217	0.5
151.14799	0.9
155.11610	0.5
157.10114	1.9
159.11705	8.6
161.13257	6.8
163.11221	0.8
163.14804	3.6
165.12747	0.5
171.11696	2.2
173.13261	6.3
175.14835	3.3
177.12740	0.5
177.16412	1.7
182.46437	0.5
185.13255	2.2
187.14830	2.6
189.16380	1.2
191.14372	0.9
191.18028	0.8
199.14769	1.6
201.16321	1.0
203.17854	0.8
205.15927	0.6
213.16449	1.1
215.17990	0.9
219.17456	0.8
230.04698	0.5
231.20988	0.8
233.22679	0.6
241.19635	2.9
243.21161	5.6
259.20584	7.2
261.22159	17.9
263.23749	1.6
267.19528	0.6
277.21643	0.8
279.23068	0.6
287.23514	0.7
299.23679	1.1
315.23154	0.9
317.24869	3.5
333.24258	6.1
335.25809	100.0
336.26108	2.2
337.27356	9.5
353.27295	0.6
355.29999	0.7
451.35995	0.6
521.43555	1.5
539.44836	0.8
557.42755	0.6
595.47211	14.4
613.38849	0.9
613.48291	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	790.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.5
55.05502	3.6
57.03436	1.7
57.07079	100.0
58.52085	0.5
58.83722	0.5
59.05005	40.8
60.03235	0.5
61.02929	0.6
67.05519	3.3
69.07061	4.2
71.08635	97.5
73.02924	1.2
73.06564	2.3
73.33421	0.6
79.05492	3.1
79.34947	0.5
81.03439	0.8
81.07069	2.9
83.08630	4.2
85.02937	0.5
85.10187	95.4
87.04476	9.9
87.08088	0.8
89.06036	62.2
91.05472	2.0
93.07058	2.0
95.08610	1.9
96.06654	0.5
97.02843	0.5
97.06534	1.0
97.10174	1.5
99.08089	0.8
99.11734	11.3
101.06019	0.9
101.09660	4.8
103.07597	1.4
105.07038	1.5
107.07058	1.2
107.08566	1.6
109.10169	1.2
110.06048	0.6
117.09142	15.2
119.08612	0.6
119.10675	0.7
121.10165	0.9
122.09667	0.8
130.08652	1.8
131.07036	4.1
131.08548	0.6
133.08611	46.4
135.10106	0.7
141.16385	11.1
147.09941	0.8
147.11716	0.9
158.11813	1.0
161.11690	0.9
175.09631	3.0
177.11238	19.9
185.13301	0.6
198.23883	0.6
199.20580	26.3
209.64519	0.6
219.12262	1.5
221.13844	4.9
235.15306	0.6
239.14937	1.4
239.33545	0.6
240.23160	1.4
257.24750	28.0
263.10553	0.6
263.14804	0.7
265.16400	1.4
275.20053	0.7
276.19666	1.4
283.17410	1.7
294.20712	0.7
304.15341	0.7
309.19049	0.9
315.29001	0.7
327.20023	1.3
335.25638	1.6
336.25934	0.8
368.23761	1.0
371.22321	0.7
415.25073	1.7
441.26651	1.0
459.22299	0.7
459.27991	10.2
499.30896	1.9
517.31683	2.0
557.34686	1.0
610.44489	2.0
628.45264	2.0
790.58917	8.3
791.43988	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.7
57.03442	1.0
57.07078	100.0
59.05005	22.4
67.05508	1.6
69.03419	0.5
69.07078	2.4
70.24564	0.4
71.08634	66.4
71.24399	0.9
71.24755	0.6
73.02920	1.3
73.06583	2.0
79.05500	1.5
81.07053	1.6
81.83085	0.4
83.08639	1.5
85.06549	0.4
85.10185	58.0
87.04470	11.3
87.04971	0.8
89.06035	70.3
90.82610	0.4
91.05489	0.9
91.07579	0.6
93.07041	1.0
94.07396	0.4
95.08605	0.6
97.06565	0.5
97.10171	1.8
99.11732	11.9
101.06036	0.6
101.09667	1.2
103.07564	0.9
105.07029	1.0
107.07093	1.2
107.08606	1.1
109.10164	0.5
111.11740	0.6
113.13285	4.4
117.09145	6.1
119.08605	0.6
130.08655	2.0
131.07060	5.1
131.08542	0.5
133.08609	56.8
134.09015	0.5
145.08662	0.5
147.10191	0.9
155.17957	9.6
161.11685	0.7
173.11746	0.9
175.09666	4.5
177.11232	24.1
178.11436	0.6
186.90025	0.4
213.22142	16.5
219.12286	1.9
221.13831	5.6
223.15410	0.7
239.14928	0.7
254.24857	1.3
265.16336	1.0
271.26340	6.6
276.20660	0.5
283.17508	2.0
307.17014	0.5
309.19006	1.7
327.19962	1.2
335.25693	0.5
345.56125	0.4
349.23508	0.5
353.21854	0.6
370.36490	0.4
371.22638	1.0
397.24222	0.8
415.25299	0.7
459.27814	1.5
485.29440	0.9
503.30661	10.0
543.33069	1.7
561.34766	1.0
601.37335	0.9
610.44916	0.9
693.47247	0.5
773.55219	0.6
790.59235	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	790.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.5
55.05262	1.5
55.05511	21.6
57.03443	9.6
57.07062	2.6
59.04997	1.8
61.02914	4.2
65.03927	3.9
67.05508	69.5
69.03439	7.4
69.07069	24.7
71.04996	32.3
71.05588	1.1
72.68228	1.1
73.02893	1.3
73.06566	1.2
79.05495	46.7
80.65112	1.1
81.03416	7.0
81.07059	100.0
82.07380	1.1
83.04989	8.8
83.08633	12.9
85.02913	5.5
85.06550	12.3
87.04472	1.4
91.03969	1.9
91.05485	43.8
92.05012	1.8
93.07045	43.9
93.07632	2.4
95.04963	7.6
95.08051	1.8
95.08609	22.6
95.66525	1.0
97.02910	5.5
97.06516	11.7
97.10163	10.5
99.04456	1.5
99.08086	2.9
103.05482	1.2
105.04507	2.1
105.07031	33.6
107.04951	3.4
107.08594	30.5
109.02867	2.1
109.06525	5.5
109.10158	14.8
111.08093	4.3
113.09603	1.9
117.07024	13.4
118.06541	5.2
119.06088	1.3
119.08582	16.2
121.06489	3.4
121.10145	12.6
123.08026	3.0
123.11709	14.5
125.09637	8.2
127.03909	2.6
129.05457	1.0
129.06975	3.4
131.08574	13.9
133.10138	31.6
135.08055	3.5
135.11702	8.8
137.05956	1.0
137.09624	2.6
141.06999	2.0
143.08571	2.9
145.04932	1.4
145.10083	9.5
147.11681	9.5
149.09641	9.0
149.13263	10.3
151.11195	8.2
153.09071	1.2
155.08481	1.6
157.10110	3.5
159.11700	15.1
161.09569	1.8
161.13278	4.0
162.09111	4.0
163.09772	2.2
163.11182	6.2
165.09065	1.2
165.12694	1.2
166.08647	1.9
169.10095	1.9
169.12189	1.5
171.11674	3.0
173.04456	3.4
173.09621	1.2
173.13228	3.7
177.12733	5.3
179.14301	1.8
183.11732	1.6
183.13725	2.7
184.07227	1.4
185.13202	2.3
187.11292	2.2
187.13277	7.3
189.11208	3.9
195.11845	1.0
195.13789	4.1
197.13263	1.6
199.14886	1.4
201.14798	1.4
225.14854	3.0
227.12801	16.7
230.15388	4.7
231.15707	4.7
232.15865	1.2
239.18039	2.4
243.15945	6.4
257.15051	1.1
257.17215	2.0
257.19336	2.1
259.20581	2.8
267.15863	1.1
269.17471	12.9
275.20056	20.7
292.19098	9.4
293.19205	7.0
294.19821	4.0
301.20096	23.0
333.24194	3.7
349.23761	17.5
385.56638	1.1
421.29669	1.4
423.27466	5.7
427.27118	5.1
437.29013	15.5
445.29614	1.4
449.29010	15.4
451.30969	5.0
455.29990	1.6
463.30554	12.7
481.32162	5.6
495.33221	27.6
499.33917	5.4
501.35312	1.5
512.27704	1.3
512.35492	1.3
517.35309	48.6
519.36493	1.9
525.35785	3.1
531.36969	7.7
539.28284	1.5
543.36755	30.0
557.30103	1.6
557.38275	1.6
561.37701	2.6
575.39398	27.4
581.32544	1.6
593.40039	4.7
607.34698	3.3
687.39355	1.4
727.67090	1.2
790.50256	28.1
791.48407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	3.0
57.03434	2.8
57.07079	100.0
59.04705	1.9
59.05004	36.8
59.91169	1.1
63.28459	1.2
67.05494	1.7
69.07066	4.3
71.08635	72.7
71.56783	1.6
73.32854	1.2
81.07050	2.0
82.12500	1.2
82.65062	1.0
83.08651	2.8
85.10186	64.0
86.09719	2.8
87.00931	1.3
87.04477	2.6
89.06035	22.3
91.05476	1.7
97.10156	4.1
99.11727	13.0
101.09653	5.1
113.13290	4.6
115.07487	1.2
117.09135	17.3
118.25152	1.1
119.08594	1.4
124.99978	1.4
130.08638	1.5
133.08623	15.7
136.06165	8.0
138.19565	1.3
154.40849	1.2
155.17943	11.2
175.13332	2.8
177.11212	6.5
184.07365	6.3
199.32649	1.1
199.41115	1.4
213.22133	21.9
216.29881	1.2
221.13748	1.7
254.24869	1.8
271.26340	30.9
272.19650	1.1
327.19986	7.8
329.30386	2.2
353.26907	1.4
361.75076	1.3
385.24637	2.5
442.14709	1.4
563.38843	2.8
788.60358	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.4
55.05513	38.0
57.03437	4.3
57.07080	16.6
58.21008	0.6
59.05002	13.5
61.02925	2.3
67.05511	4.2
68.99799	1.2
69.03075	1.1
69.03434	15.7
69.07070	30.1
69.52682	4.1
70.06594	1.1
71.04987	2.5
71.08635	3.8
73.02912	2.4
75.04469	0.5
79.05483	2.0
81.03423	19.6
81.07059	8.3
83.01339	1.0
83.05012	4.3
83.08623	100.0
85.02910	31.1
85.03433	1.1
85.06565	0.9
87.00834	11.8
87.04478	2.2
87.08157	0.6
89.06039	28.0
91.03941	1.0
91.05505	2.2
93.07040	3.0
95.04980	5.0
95.08604	5.0
96.63165	0.7
97.02898	11.2
97.06554	1.7
97.10175	34.3
99.04456	6.0
99.08124	0.8
100.21902	0.6
101.06011	1.3
101.09693	0.9
103.03944	1.6
103.07587	1.3
105.01857	7.8
105.07040	1.3
107.05055	0.7
107.07137	0.8
107.08597	1.5
107.78808	0.5
109.02884	23.8
109.06500	0.9
109.10152	1.4
111.04443	5.7
111.08083	0.7
111.11740	1.8
113.05982	0.7
117.01863	0.7
117.05460	0.6
117.07072	0.6
117.09143	4.0
119.08645	1.0
121.06531	2.0
121.10180	1.8
123.04459	0.6
125.05964	1.6
125.13294	0.6
125.70572	0.6
127.03928	23.1
129.01843	2.2
131.07063	1.0
133.06526	0.7
133.08611	14.2
133.10158	0.9
135.11713	0.9
136.05278	0.6
136.06177	3.0
137.05981	1.4
137.13257	1.5
139.07562	0.8
139.14835	1.9
143.14276	0.8
145.04955	5.2
145.08653	0.6
147.02861	0.9
147.10132	3.2
147.27209	0.5
149.06013	1.4
149.13307	1.3
155.14314	5.5
157.15892	26.5
159.02869	3.5
167.07060	4.2
167.14320	1.1
171.17429	0.6
175.09695	1.5
175.16945	7.2
177.11230	12.6
184.07416	0.6
185.08160	2.2
185.15398	0.8
189.03992	2.1
191.12804	0.7
195.12288	8.8
195.13925	0.8
198.18510	0.8
201.18570	0.6
211.16946	1.5
213.03958	6.9
213.18629	0.6
215.20074	27.3
231.05000	4.4
233.21191	2.5
235.15416	6.4
239.14908	1.4
253.16454	11.5
257.21106	0.6
265.18176	1.1
270.72470	0.6
273.24240	27.5
283.19012	1.8
289.09280	4.2
291.25391	1.6
293.19623	6.0
297.19107	1.2
311.20581	6.4
323.22220	1.0
331.28378	5.8
351.23898	2.9
353.95255	0.5
369.19275	1.2
387.20169	0.7
427.23410	1.8
451.15384	0.6
481.77170	0.7
507.39792	0.8
525.40082	21.3
628.36646	1.6
766.63611	0.7
790.46790	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	788.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.4
55.05512	1.4
57.03399	0.8
57.65560	0.2
61.02935	1.2
64.18384	0.2
65.01839	0.2
65.03905	0.7
67.05508	2.7
69.03424	1.2
69.07074	1.2
70.07359	0.2
70.07698	0.8
71.01322	0.4
71.04986	0.3
79.05493	1.5
81.03389	0.7
81.06650	0.2
81.07047	2.3
83.08611	0.4
85.02899	1.5
86.09674	0.2
90.23475	0.2
91.03913	0.6
91.04984	0.2
91.05486	3.2
92.05009	5.6
93.05795	1.4
93.07044	1.6
94.06567	1.3
95.08597	1.1
96.77369	0.2
97.02895	1.4
97.10133	0.3
99.04405	0.3
101.02372	0.4
105.07037	1.0
106.06555	2.3
107.08562	0.6
109.10113	0.8
115.05428	0.2
117.05745	1.8
117.07005	0.5
118.06544	19.4
119.07350	2.2
119.08552	0.6
120.08112	1.9
121.10153	0.4
127.03941	0.3
130.06517	1.7
131.07280	0.7
131.08519	0.3
132.08084	2.5
133.08836	0.4
133.10074	0.4
134.09607	0.7
135.11655	0.3
137.08336	0.4
143.08539	0.2
144.08096	0.8
145.08891	0.3
145.10089	0.2
146.09607	1.1
147.11670	0.2
150.09111	0.4
157.10114	0.2
159.11720	0.3
160.11217	0.5
162.09149	20.4
163.09927	5.5
164.10730	1.1
169.10097	0.2
176.10690	2.4
180.92337	0.2
190.12190	0.4
202.15901	5.1
212.14319	0.2
218.15359	0.5
230.15404	34.9
231.15759	0.4
232.16969	0.2
232.29915	0.2
246.18564	0.6
246.63153	0.2
248.16498	2.0
258.18497	0.2
262.18011	2.1
274.18030	1.2
286.17889	0.2
292.19067	81.6
293.19339	1.5
304.15799	0.3
304.19016	2.3
318.20728	0.4
322.19995	1.0
332.22467	0.9
335.25870	0.3
348.21716	3.0
349.23965	0.2
390.54379	0.2
398.07990	0.2
480.26022	0.5
510.27029	8.9
541.35455	0.4
564.40710	0.2
582.41113	0.2
608.44281	0.3
626.44202	4.9
788.49408	100.0
789.49530	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	788.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
57.03405	0.7
58.88208	0.2
61.02926	1.6
65.03916	0.4
67.05515	2.5
69.03422	1.2
69.07061	0.9
69.20752	0.9
69.21178	0.8
71.04973	0.3
76.56850	0.1
79.05505	1.3
81.03390	0.7
81.07056	1.7
83.08598	0.3
85.02905	1.6
86.09683	0.3
91.03913	0.6
91.05491	2.8
92.05009	5.1
93.05788	1.0
93.07056	1.4
94.06581	0.9
94.07344	0.2
95.08614	0.9
97.02888	1.6
97.06499	0.4
97.10133	0.3
98.20804	0.4
99.04413	0.3
101.02364	0.5
104.10709	0.4
105.07003	0.6
106.05943	0.2
106.06553	2.1
107.07301	0.2
107.08551	0.7
109.02853	0.2
109.10139	0.4
110.06018	0.2
117.05758	2.0
118.06547	18.0
119.07346	1.5
119.08569	0.3
120.08115	1.6
121.10110	0.4
121.52750	0.2
127.03895	0.2
129.06995	0.2
130.06522	1.5
131.07286	0.7
131.08463	0.2
132.08095	2.6
133.08839	0.4
133.09993	0.3
134.05876	0.2
134.09608	0.5
135.11658	0.3
137.05988	0.2
137.08363	0.4
144.08026	0.7
145.08934	0.3
145.10063	0.4
146.09599	0.8
147.11708	0.2
148.11200	0.3
149.13182	0.2
150.09143	0.2
158.09616	0.3
160.11246	0.4
162.09152	19.2
163.09924	6.0
164.10698	0.9
176.10703	2.5
190.12254	0.4
202.15942	4.9
204.13741	0.2
218.15347	0.5
230.15411	34.4
231.15790	0.4
246.18465	0.3
248.16481	1.8
262.17993	1.4
266.21155	0.2
274.18027	1.6
292.19073	100.0
293.19510	2.0
304.19077	1.7
318.20758	0.3
322.19965	1.1
332.22186	1.7
335.25742	0.3
348.21704	3.0
510.27029	8.2
564.40729	0.3
626.44122	4.1
788.49445	90.8
789.49670	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	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.3
55.05516	28.9
57.03439	11.2
57.07064	4.7
59.04984	1.8
61.02931	12.7
65.03938	6.0
67.05508	65.5
69.03442	6.5
69.07066	21.9
70.03576	3.5
71.04983	3.9
73.02907	4.8
77.03923	1.9
79.05496	59.0
81.03426	6.6
81.07060	75.1
83.04987	6.4
83.08620	13.4
85.02902	11.9
85.06542	3.6
89.06039	1.4
91.03941	3.8
91.05487	71.6
93.07049	62.2
95.04967	9.4
95.08614	52.6
95.09242	1.7
97.02880	9.0
97.06526	6.1
97.10157	5.3
99.08083	2.7
103.05462	4.9
105.04504	2.1
105.07034	57.1
107.04987	7.9
107.08601	29.2
109.06536	10.0
109.10147	17.4
111.08071	3.7
113.06045	1.8
115.05442	9.4
116.06239	2.7
117.07022	55.0
119.04913	3.1
119.08588	39.2
121.06509	8.5
121.10149	22.1
123.08055	4.4
123.11687	3.6
127.03893	2.0
128.06229	12.4
129.07010	25.0
130.07805	6.8
131.07578	2.6
131.08571	49.6
133.06509	9.5
133.08620	1.3
133.10135	25.8
135.08055	9.5
135.11703	12.3
137.09639	3.3
139.11191	1.7
141.07001	7.1
142.07825	6.4
143.08569	36.2
144.09373	2.0
145.06470	5.3
145.10132	69.8
146.07300	1.3
147.08038	9.6
147.11674	14.9
149.09612	8.1
149.13297	6.4
151.07562	1.8
151.11151	2.1
153.06992	1.7
154.07761	1.7
155.08522	6.7
157.10136	30.6
159.08078	3.4
159.11696	24.1
161.09639	16.0
161.13264	7.4
163.11206	9.5
163.14903	1.8
165.07086	1.5
167.08559	5.7
169.10146	13.4
171.08081	2.5
171.11708	19.8
173.09601	4.1
173.13206	5.9
175.09691	1.7
175.11163	10.5
175.14745	2.7
177.12709	2.4
179.08572	3.0
180.09337	1.9
181.10130	7.7
183.11703	7.2
185.09682	3.0
185.13261	9.4
187.11137	4.7
187.14742	3.6
189.12759	5.6
193.10374	1.1
195.11696	11.0
197.13295	3.2
199.11177	2.7
199.14801	2.3
201.12726	2.9
201.16397	2.0
203.10735	2.2
203.14334	1.1
205.12376	1.2
207.11638	1.7
209.13223	4.5
211.14835	1.8
213.11101	1.4
213.12813	2.7
215.14343	3.5
225.16284	1.4
227.17950	11.2
237.16354	13.9
243.21271	1.4
245.18990	10.0
255.17455	24.4
257.18982	2.0
259.20529	2.5
261.22076	4.3
271.16785	1.7
273.18506	99.6
274.18777	1.8
275.20026	3.1
291.19464	3.6
315.19678	2.0
317.24942	2.1
319.22787	1.1
321.78375	1.2
329.20987	4.1
335.25812	100.0
336.26056	1.7
337.27200	1.3
347.22177	51.6
354.42041	1.2
365.23370	1.5
404.13791	1.2
567.40228	2.8
589.42657	1.9
607.43585	51.8
608.43738	3.1
624.44092	1.4
625.44629	23.3
769.48236	1.5
787.48474	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	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	12.6
55.05267	1.9
55.05513	31.3
57.03442	9.9
57.07073	3.3
59.05001	1.5
61.02930	14.2
65.03934	3.5
67.05508	62.5
69.03434	13.2
69.06718	2.0
69.07070	26.0
69.55851	6.2
69.56284	2.2
71.04978	5.4
71.08627	1.4
73.02910	7.5
76.44779	1.2
79.05497	40.1
81.03424	16.4
81.07061	55.9
83.04977	5.5
83.08624	15.5
85.02914	12.7
85.06540	3.7
91.03944	3.6
91.05484	42.8
93.06473	2.4
93.07050	43.4
95.04977	7.9
95.08614	36.7
97.02899	13.5
97.06535	15.0
97.10166	9.5
99.04443	1.3
99.08096	2.0
103.05473	1.3
105.07035	42.3
107.04936	4.8
107.08600	30.1
109.06553	5.8
109.09450	1.9
109.10161	21.4
111.04453	1.8
111.08067	4.2
113.09572	1.7
115.05431	1.8
117.07022	24.8
118.07850	1.6
119.08588	31.4
121.06506	2.8
121.10140	15.3
123.08054	4.5
123.11681	6.9
125.09626	7.6
127.03918	4.2
128.06221	3.8
129.05528	1.6
129.07002	17.4
130.07777	2.6
131.08571	28.1
133.06488	2.0
133.10136	27.4
135.08057	4.9
135.11713	10.5
137.09558	3.7
139.11169	1.9
141.06973	7.0
142.07762	6.3
143.08566	21.8
145.06456	2.1
145.10129	28.6
147.08014	2.9
147.11690	17.1
149.02403	8.0
149.09615	5.7
149.13255	5.3
150.02705	2.1
151.07486	1.4
151.11136	2.3
153.06940	2.0
154.07700	1.5
155.08566	11.8
156.09271	2.6
157.10149	22.0
159.08064	2.6
159.11690	21.1
161.09657	2.7
161.13235	8.6
163.11171	3.5
163.14836	2.2
166.07715	1.2
167.08549	7.4
167.65150	1.6
169.10156	18.0
171.11697	17.0
173.04457	4.5
173.09612	3.0
173.11847	1.7
173.13245	14.1
175.11241	2.9
175.14833	5.1
177.12709	2.1
179.08607	1.9
181.10141	9.2
183.08041	1.5
183.11685	16.7
185.09692	3.0
185.11736	1.8
185.13235	14.0
187.11092	2.0
187.13287	2.0
187.14818	5.3
189.11220	3.6
189.12726	2.7
193.04956	6.7
193.10127	4.2
195.11708	11.2
195.13547	1.7
196.12445	1.6
197.09602	1.8
197.13278	11.9
199.11177	2.7
199.14841	9.6
201.12723	1.6
201.16449	3.4
203.14417	1.7
205.10060	2.8
207.11691	3.7
209.13246	7.4
211.14842	5.9
213.16357	4.4
215.17941	2.0
221.09909	1.3
221.13275	3.6
223.14830	5.1
225.16402	4.3
227.12819	6.2
227.17946	2.6
229.14313	5.1
229.19560	1.8
235.14803	4.2
237.16338	3.0
239.17952	4.1
241.19554	4.7
243.15895	1.7
247.14725	1.5
249.16364	1.3
251.17953	2.9
253.19528	2.3
255.21143	2.3
257.18994	4.8
259.17087	1.1
259.20569	8.6
265.19482	1.6
267.15677	1.6
271.20581	1.4
273.18552	3.8
275.20126	15.5
277.21777	2.0
283.20425	1.2
295.20322	1.8
297.22217	1.7
301.21741	1.4
321.22028	1.5
323.24167	1.5
333.24344	6.9
335.26123	2.1
345.24432	1.6
349.23886	7.2
365.28326	3.4
367.22595	2.0
379.30084	2.9
421.30795	3.8
433.30530	1.9
435.32251	1.4
439.31882	1.5
453.34055	1.5
463.32443	1.3
495.34430	2.5
497.38232	1.4
501.35529	1.4
513.35797	22.3
515.38672	4.5
525.36017	2.1
527.37665	6.0
531.37396	1.4
533.39722	4.9
537.36096	1.8
538.93414	1.4
539.37683	1.4
551.40582	2.8
555.36676	2.4
571.40790	1.4
589.42261	3.4
597.45428	1.7
607.34161	2.7
607.43622	50.5
608.43701	1.6
623.41736	1.3
625.44672	100.0
626.44470	3.8
649.44397	1.4
671.41315	1.5
689.42401	2.8
719.16333	1.5
733.45837	3.4
751.46552	2.1
769.48639	5.3
787.49982	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	787.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	12.3
55.05511	30.4
57.03442	14.3
57.07073	3.8
61.02935	13.8
62.28194	2.7
65.03931	5.6
67.05508	69.5
69.03430	12.5
69.07073	30.6
69.83781	11.1
71.04992	6.5
73.02918	8.3
79.05499	50.8
81.03439	13.3
81.06588	3.4
81.07061	59.8
81.29661	2.4
83.04984	8.4
83.08633	14.4
85.02917	18.4
85.06542	3.9
91.03949	5.6
91.04959	4.0
91.05484	44.6
93.07047	51.9
95.04986	8.2
95.08611	46.9
97.02903	17.9
97.06532	14.9
97.10164	11.0
99.04453	4.8
99.08105	4.5
101.02367	2.7
103.05512	2.8
105.04506	4.3
105.07034	41.5
107.04939	5.2
107.08595	29.2
109.02898	5.1
109.06506	12.3
109.10163	21.2
109.87743	2.5
111.08098	6.3
115.05431	4.8
117.07028	24.4
119.08583	30.4
121.06572	3.1
121.10137	17.8
123.07214	2.7
123.08075	6.4
123.11678	6.3
125.09634	7.2
127.03907	5.7
128.06236	7.4
129.07007	18.7
130.07784	2.7
131.08574	26.8
131.15944	2.3
133.06485	3.0
133.10132	27.9
135.08051	6.5
135.11703	13.1
137.09618	4.9
139.11133	3.9
141.07008	10.4
142.07799	4.5
143.08565	20.0
145.10159	31.1
147.08023	3.6
147.11697	14.2
149.09657	7.3
149.13287	4.6
151.11180	2.9
153.06998	3.1
155.08568	14.8
157.10165	30.3
159.08011	3.3
159.11694	16.8
161.09624	6.2
161.13243	6.2
163.11160	4.3
163.14915	3.6
167.08569	8.5
169.10135	25.2
171.11713	21.3
173.04472	3.0
173.13223	12.1
175.11145	3.7
179.08487	3.5
181.10112	12.9
183.11729	21.4
184.07367	2.5
185.13293	12.1
187.14777	5.5
189.16341	2.9
192.62288	2.5
193.04964	4.6
193.10161	6.4
195.11667	14.0
197.13307	19.3
199.14847	8.1
201.16359	3.0
207.11719	8.0
209.13239	9.8
211.14819	8.8
213.16451	4.1
221.13289	5.2
223.14859	6.4
225.16411	5.6
227.12773	3.2
227.20094	4.9
229.14374	4.4
233.13272	2.9
235.14896	5.8
237.16353	4.9
239.18050	4.1
241.19534	4.3
251.73622	2.6
257.19037	4.6
259.20557	7.8
261.22171	2.7
273.18527	5.8
275.20193	12.4
283.20560	3.0
327.23071	2.9
333.24271	6.3
335.25879	5.4
349.23755	5.0
421.30927	3.0
439.32187	3.0
513.35724	24.1
515.38409	6.6
525.35846	3.5
527.37476	3.9
533.39832	8.0
539.37012	3.9
541.38959	6.4
551.41034	5.3
553.39374	5.1
589.42804	4.2
607.43665	65.8
625.44678	100.0
626.44635	4.5
733.45746	3.9
751.47668	4.7
759.54688	2.5
769.48224	6.8
787.49915	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	787.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.6
57.03429	3.0
61.02922	3.8
61.68117	0.9
62.06071	1.5
67.05509	17.3
69.03440	2.0
69.07068	5.9
69.55703	5.7
71.04993	1.9
79.05498	13.2
81.03445	2.5
81.07061	18.1
81.57832	1.0
83.04996	1.6
83.08622	3.6
85.02891	3.8
85.06552	1.5
91.03938	2.5
91.05484	19.7
93.07043	14.5
95.04979	2.0
95.08614	10.4
97.02888	2.3
97.06519	2.7
97.10147	2.2
105.06376	1.9
105.07031	20.6
107.04935	1.2
107.08616	7.3
109.06503	2.2
109.10168	5.4
117.07018	11.3
118.45288	1.0
119.08580	10.7
121.06531	2.4
121.10167	6.3
123.11647	1.6
127.03916	1.3
129.06992	6.0
131.08580	13.8
133.06509	1.8
133.10135	7.6
135.08018	1.3
135.11703	2.8
141.07008	1.2
143.08577	7.4
145.10121	11.7
147.08080	1.5
147.11700	2.3
155.08560	4.2
157.10135	4.7
159.11696	4.4
169.10170	3.6
171.11702	3.0
173.13237	2.6
181.10204	2.2
183.11688	2.6
185.13300	2.4
186.08946	1.0
195.11673	1.8
197.13309	2.3
199.14806	2.1
200.95091	1.1
209.13245	1.4
211.14835	2.1
245.15581	1.0
247.16989	1.1
256.37952	1.4
267.15906	1.8
273.18512	1.3
275.19913	1.2
284.39618	1.1
325.25043	1.7
335.23547	1.1
343.26346	4.5
353.24496	5.5
371.25894	7.5
389.26794	8.8
392.78186	1.1
419.82703	1.2
445.29520	100.0
446.29773	2.9
463.30542	25.0
486.49249	1.3
542.78644	1.1
607.43860	1.6
625.45135	1.5
769.48419	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	787.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.1
56.92984	1.0
57.03452	1.8
61.02925	3.3
65.03926	1.3
65.86487	1.0
67.05508	21.6
69.03422	1.3
69.07074	7.6
69.70963	1.1
71.05011	1.8
73.02931	1.4
78.97453	1.0
79.05494	16.7
81.03433	1.7
81.07061	20.9
83.04980	1.9
83.08620	4.4
85.02918	3.7
85.06508	1.4
91.03964	2.8
91.05486	22.1
93.07045	17.7
95.04987	2.0
95.08602	14.7
97.02902	2.0
97.06550	3.6
97.10141	1.6
105.07035	23.9
107.04955	1.9
107.08592	11.9
109.06541	2.0
109.10183	5.2
115.05485	1.6
117.07024	11.7
119.08587	16.8
121.06525	2.7
121.10126	7.9
123.08049	1.4
125.09589	1.1
127.03938	1.3
128.06219	1.1
129.07014	9.6
131.08582	20.3
133.06480	1.3
133.10146	10.8
135.11673	2.4
137.09650	1.3
137.32576	1.0
139.11153	1.0
141.06989	2.1
143.08568	8.7
145.04987	1.3
145.06546	2.0
145.10152	14.9
147.08047	3.2
147.11691	3.5
149.09599	2.2
155.02269	1.1
155.08582	4.4
157.10153	6.6
159.11694	6.7
161.09634	1.3
161.13274	1.2
161.21658	1.1
163.11147	1.6
167.08578	1.7
169.10147	5.5
170.80594	1.4
171.11714	6.2
173.13261	2.5
175.11319	1.7
181.10199	2.1
183.08029	1.2
183.11668	3.5
185.13269	3.5
187.14931	1.6
195.11688	2.1
197.13335	1.9
199.11209	1.7
199.14915	1.9
201.12816	1.4
209.13229	2.1
211.14836	1.6
213.12871	1.4
223.14856	1.5
233.15468	2.0
237.16446	1.2
287.19897	1.3
325.21539	1.3
325.25305	2.9
335.23453	1.7
343.26340	3.2
353.24731	10.1
371.25845	10.1
387.19714	1.2
389.26825	12.1
427.28470	3.0
445.29526	100.0
446.29825	2.6
463.30600	66.3
464.30750	1.2
722.27148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
55.05518	9.8
57.03445	4.8
59.04996	1.6
61.02647	1.0
61.02934	18.0
65.03949	1.6
67.05509	19.8
69.03429	6.9
69.07069	8.5
69.46268	0.6
70.06590	1.4
70.81716	0.8
71.01331	1.1
71.04984	2.7
71.56760	0.7
72.43724	0.6
73.02924	5.4
74.06887	0.7
75.55067	0.6
79.05496	19.5
81.03435	4.1
81.07063	21.4
83.04980	2.6
83.08623	7.3
85.02914	21.4
85.06537	1.4
86.09707	2.0
87.04476	1.1
91.03961	12.2
91.05486	28.3
93.07052	16.2
95.04961	3.8
95.08612	14.6
97.02905	12.1
97.06544	3.2
97.10175	2.2
99.04447	1.3
99.08099	1.6
101.02383	1.1
103.05487	1.4
104.40807	0.7
105.07038	19.8
106.07352	0.7
107.04967	3.6
107.08601	10.9
109.02892	2.3
109.06527	3.5
109.10169	6.3
111.08112	2.3
115.03921	1.5
115.05473	3.2
117.07023	16.9
119.04926	1.3
119.08592	11.0
121.06528	3.9
121.10149	4.9
123.08058	2.7
123.11756	1.4
125.06006	0.9
125.09651	1.6
127.03930	5.6
128.06216	4.4
129.07019	18.3
131.04965	0.9
131.08577	24.3
133.06531	3.8
133.10133	8.6
135.08073	4.3
135.11690	2.8
136.40521	0.7
137.05978	3.0
137.09631	1.6
139.11179	0.9
141.07014	8.1
142.07777	1.5
143.08569	16.6
145.04977	4.3
145.06485	5.7
145.10132	12.1
147.08064	3.3
147.11674	3.3
149.09627	3.5
149.13220	1.4
151.11177	1.1
153.06999	1.3
153.09143	0.7
154.07797	0.7
155.08568	13.5
157.06505	1.9
157.10126	9.8
159.08104	3.6
159.11703	6.2
161.06023	0.8
161.09656	2.8
161.13237	1.5
163.06041	2.6
163.07509	0.8
163.11232	1.8
165.07037	1.7
166.07851	1.0
167.08571	6.0
168.09297	1.0
169.06406	1.1
169.10112	9.2
171.08075	2.1
171.11708	5.6
173.09679	2.3
173.13290	2.0
175.11261	2.5
175.14844	0.9
177.12744	2.0
179.08574	3.0
180.09389	0.8
181.10149	7.7
182.10922	0.8
183.08151	1.3
183.11722	6.1
184.07411	1.6
184.09012	0.8
185.09627	1.6
185.13254	5.7
187.11179	1.9
187.14815	1.5
189.12823	1.3
191.08560	1.0
193.10193	3.6
195.11656	6.2
197.09573	1.1
197.13216	5.5
199.11185	1.7
199.14857	1.9
201.12813	2.0
203.14293	1.0
207.11723	3.2
209.13292	4.5
211.11224	1.2
211.14827	2.7
213.12772	2.0
213.16383	0.9
215.14362	2.4
217.15961	0.8
219.11726	1.0
221.13257	7.2
223.14827	4.6
225.12750	2.1
225.16342	1.7
227.14270	1.6
229.16101	1.2
233.13205	0.9
233.15367	0.9
235.14944	3.5
237.16313	1.0
239.14334	3.2
241.15886	1.6
243.13966	1.1
243.17497	0.8
245.81985	0.7
247.14825	1.0
249.16562	1.5
253.15981	1.8
255.17586	1.1
257.15399	2.4
259.17026	0.8
267.08939	0.8
267.17477	1.1
271.16995	2.9
273.34705	0.7
275.16315	0.8
279.03870	0.9
295.24390	0.8
305.22647	0.9
315.21140	0.8
323.23630	3.8
333.22247	7.4
341.24850	3.6
351.23212	23.8
369.24268	18.8
379.01050	0.7
387.25330	12.8
407.25912	0.8
410.01843	0.8
415.28430	1.3
425.27045	6.0
433.29620	1.5
443.27972	100.0
444.28445	3.3
460.96814	0.7
461.29025	68.0
462.29407	1.8
473.28830	1.0
485.29004	2.1
503.30063	2.3
533.28253	0.7
539.29761	1.3
546.47150	0.9
551.29816	1.6
587.32007	2.3
605.32953	2.6
623.34277	2.9
785.42542	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.6
55.05499	1.3
57.03443	6.2
65.03944	0.9
68.99801	0.9
69.03450	1.0
70.69549	1.8
71.01350	2.4
71.04980	2.6
73.02922	1.6
76.21969	0.8
83.01321	2.1
85.02928	5.6
87.00797	1.2
87.04458	2.8
91.05479	1.4
95.01308	2.7
97.02856	1.6
99.04443	1.7
101.02385	3.8
107.04988	1.3
109.02885	1.2
111.00816	2.9
111.04475	1.5
115.03925	5.0
119.04939	6.6
121.02873	23.6
123.04424	1.3
127.03928	2.4
129.01855	3.4
135.04471	1.2
136.07570	1.6
139.03839	1.3
140.56299	0.9
143.03395	3.9
145.02873	2.3
147.04433	1.1
151.03912	1.6
155.03384	1.4
157.01335	3.5
161.02234	0.8
161.04387	1.1
163.03955	1.3
165.01860	1.3
167.03386	1.1
175.03889	2.0
177.01862	3.8
177.05432	1.2
187.03838	1.0
189.01851	7.7
189.03928	2.8
189.05475	1.5
190.02460	1.0
191.03377	4.4
195.02872	6.5
199.03972	1.3
201.01912	1.7
201.05568	2.0
203.03416	10.9
205.01506	1.0
205.05066	1.1
207.02953	6.5
215.03333	1.5
217.05000	3.6
219.02919	2.9
221.04460	2.0
227.03416	2.8
229.04980	2.5
231.02881	1.8
241.04868	1.2
243.02881	1.3
247.04523	1.4
255.02901	3.5
255.06378	1.1
258.69406	0.9
259.02435	1.0
267.06589	2.2
268.07230	3.3
279.06503	3.4
280.07260	1.5
281.08081	3.2
282.05148	1.4
283.06030	18.4
284.06720	5.0
285.04077	1.5
285.07455	0.9
291.06808	1.9
292.07257	1.2
293.08099	3.3
294.05240	11.7
295.06033	100.0
296.06650	4.7
297.07590	8.2
304.07101	1.0
305.08072	1.4
307.06027	44.0
308.06824	13.4
309.04138	1.5
309.07523	13.1
313.07071	8.0
317.08179	2.1
319.06082	8.1
320.06845	6.8
321.03821	1.8
321.07596	29.0
322.04880	2.0
322.08154	5.8
323.05450	5.9
323.09225	4.8
325.07071	57.8
326.07480	2.0
333.07574	4.8
334.08221	1.1
335.05450	3.7
335.09137	13.9
336.06351	2.7
336.09979	1.2
337.07068	36.4
337.11130	1.8
338.07443	1.6
339.08673	2.9
345.07608	4.0
346.08365	1.9
347.05444	3.0
347.09167	6.3
348.06274	1.4
349.07077	29.9
350.07886	2.5
351.04950	1.1
351.08636	9.8
353.06604	3.0
355.08093	9.5
357.07526	1.6
359.09277	1.8
360.06284	1.9
361.07077	16.1
361.11182	1.8
362.07574	1.5
363.08609	11.2
365.06219	2.1
365.10498	4.2
367.08093	5.5
373.07120	9.7
374.07587	1.4
375.08582	7.0
377.06265	5.9
377.10519	1.4
378.07443	1.5
379.08160	17.1
381.09732	1.4
385.06943	2.4
387.08292	2.0
389.06223	2.1
389.10657	1.1
391.08148	23.9
392.08807	1.2
393.09744	6.6
397.09256	1.9
401.06430	2.2
403.07959	10.8
403.11963	1.0
407.07324	2.1
409.09183	33.0
415.09744	1.3
417.09830	1.2
419.07648	1.7
421.09207	15.7
427.10410	5.4
431.11493	1.3
433.09265	1.8
435.11115	2.0
437.08789	1.2
439.10251	24.5
445.09167	3.0
447.10760	1.8
451.10599	2.1
457.11307	25.3
459.10837	2.0
463.10236	12.2
475.11279	2.7
487.10214	3.7
493.11469	5.7
505.11340	8.9
523.12305	9.2
541.13403	18.8
559.14508	8.2
583.10583	1.9
584.07953	1.1
597.12604	5.4
609.12122	2.0
615.13470	17.1
627.13715	5.5
633.14191	6.0
645.14447	13.0
651.13123	3.6
663.15527	14.7
669.14514	17.8
675.13135	1.6
681.13989	3.1
687.15625	15.4
693.14398	6.0
699.15619	11.3
711.04559	1.4
711.15527	13.7
717.16992	5.3
729.16687	18.7
747.17773	18.1
765.18658	11.0
783.19403	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
57.03438	0.7
57.07068	0.6
61.02933	2.7
67.05504	2.1
69.03422	1.4
70.86142	1.3
71.04982	0.5
73.02910	1.2
79.05489	1.2
81.03409	1.4
81.07059	1.3
82.03716	0.5
85.02892	1.6
85.10088	0.5
91.03959	0.8
91.05474	1.9
92.04310	0.7
93.07036	1.8
95.08619	1.3
97.02889	1.9
101.02402	1.0
105.07067	0.9
107.08575	0.6
107.71581	0.5
109.10158	0.7
121.10185	0.6
128.41881	0.5
131.08568	0.6
207.29446	0.6
243.08559	0.6
283.15332	1.1
502.23145	1.2
503.23694	0.9
520.29504	1.5
521.29633	1.7
549.82208	0.6
659.72083	0.6
713.40643	0.6
781.51764	100.0
782.54034	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	781.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
57.03438	0.7
57.07068	0.6
61.02933	2.7
67.05504	2.1
69.03422	1.4
70.86142	1.3
71.04982	0.5
73.02910	1.2
79.05489	1.2
81.03409	1.4
81.07059	1.3
82.03716	0.5
85.02892	1.6
85.10088	0.5
91.03959	0.8
91.05474	1.9
92.04310	0.7
93.07036	1.8
95.08619	1.3
97.02889	1.9
101.02402	1.0
105.07067	0.9
107.08575	0.6
107.71581	0.5
109.10158	0.7
121.10185	0.6
128.41881	0.5
131.08568	0.6
207.29446	0.6
243.08559	0.6
283.15332	1.1
502.23145	1.2
503.23694	0.9
520.29504	1.5
521.29633	1.7
549.82208	0.6
659.72083	0.6
713.40643	0.6
781.51764	100.0
782.54034	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	783.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.9
57.03432	5.9
59.04992	1.7
61.02937	1.9
65.03920	1.9
68.99782	1.9
69.03432	2.3
70.06584	2.2
71.01336	4.3
71.04985	4.3
71.57041	1.6
73.02920	2.9
83.01317	3.4
85.02899	6.2
87.04472	3.9
89.02385	2.4
91.05499	2.7
95.01309	1.9
97.02897	1.4
101.02390	9.4
103.03941	3.3
105.07045	2.3
107.04947	1.9
109.02872	2.3
111.00813	3.8
115.03941	12.3
119.04935	8.8
121.02870	30.8
121.62627	1.3
123.04434	1.6
127.03934	3.9
129.01840	5.6
131.04932	2.1
135.04401	1.3
137.05988	2.6
139.04012	1.7
141.01814	1.3
143.03384	4.8
145.02861	3.1
147.04445	2.0
149.05920	1.4
151.03854	1.7
151.07532	2.5
157.01358	9.4
161.02382	2.6
163.03862	1.6
163.07637	1.4
175.03853	2.0
177.01891	4.7
177.05469	2.0
178.08572	4.3
179.03441	3.8
181.76295	1.3
187.03778	2.0
189.01840	11.2
189.03870	8.0
189.05479	2.4
190.02664	1.4
191.03386	6.0
195.02890	5.6
201.01764	1.5
203.03426	11.3
205.04846	1.9
207.02896	7.9
207.04782	2.8
217.04942	3.9
219.02950	6.6
221.04485	4.4
225.03802	1.5
227.03397	1.9
229.04959	4.6
231.02847	2.9
233.04427	2.6
241.05006	1.9
243.06555	1.6
245.04240	1.4
247.02344	2.0
247.05984	1.5
255.02930	2.2
255.06537	2.3
257.04636	2.1
267.06482	3.3
268.07288	3.3
269.04459	2.0
271.05957	2.2
273.03943	2.1
279.06470	5.5
280.07358	2.2
281.08102	4.8
282.05249	1.9
283.06024	16.4
284.06741	4.3
291.06573	1.5
292.07269	3.1
293.08047	3.7
294.05264	20.1
295.06021	100.0
296.06784	8.4
297.07523	13.5
305.08023	2.2
307.06049	57.5
308.06830	16.0
309.07602	25.3
313.07141	11.9
319.06116	11.0
320.06836	7.2
321.07599	39.1
322.04929	1.8
322.08286	7.6
323.05481	4.9
323.09210	4.5
325.07068	97.0
326.07523	4.0
330.16904	2.8
333.07565	7.7
335.05460	5.7
335.09167	14.2
336.06277	5.6
336.09622	2.4
337.07083	72.9
338.07507	2.9
339.08609	9.5
345.07504	4.4
346.08231	2.3
347.05353	4.1
347.09137	10.8
349.07077	53.7
349.10446	1.9
350.07697	3.0
351.04999	2.5
351.08682	15.6
353.06607	3.8
355.08173	15.3
357.07617	2.6
361.07080	12.7
363.08649	11.0
365.06644	6.6
365.10428	8.4
367.08127	24.7
373.06998	4.6
374.07788	2.1
375.08624	10.1
377.06470	8.5
377.10608	3.1
379.08105	20.9
385.08966	1.8
389.10327	2.9
391.08084	25.8
393.09879	11.4
397.09039	3.9
403.07947	13.5
404.17007	6.0
405.09900	4.1
405.17331	3.9
407.07388	2.3
409.09186	26.9
415.08704	1.7
417.09906	2.7
419.07410	3.2
421.09128	26.2
421.14172	2.4
427.10257	24.4
433.09683	4.4
435.10550	2.5
438.09418	1.6
439.10281	76.6
440.10577	2.1
445.09814	2.8
451.10263	3.0
457.11292	26.8
459.10898	2.4
463.10168	8.2
469.10883	5.1
475.12375	13.5
479.09579	1.9
487.11783	8.0
493.11008	4.3
497.10791	4.6
505.11267	8.7
523.12396	18.6
541.13440	61.1
542.13428	2.4
559.14630	41.1
583.11011	6.4
597.12622	2.8
609.12579	6.8
615.13477	11.5
627.13336	21.3
633.13922	2.5
645.14490	33.3
663.15717	13.1
669.14581	8.8
681.13696	1.8
685.13550	2.1
687.15320	6.4
693.13977	2.4
699.15216	6.1
711.15588	9.9
717.15729	2.5
729.16516	22.0
747.17584	18.1
765.18958	12.5
783.19421	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	779.434
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06446	0.8
71.57186	1.1
86.22194	0.7
89.06056	0.9
565.88922	0.8
633.82397	0.9
649.44452	2.3
744.18195	1.0
761.42731	1.3
779.43048	100.0
780.43054	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	779.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
57.03452	1.7
57.07078	1.9
58.07397	0.5
59.05000	1.0
61.02927	4.9
67.05508	4.9
69.03431	3.1
69.07066	1.2
70.12179	0.8
71.01367	0.6
71.04995	0.9
71.08633	2.1
72.08972	0.4
73.02923	3.9
74.88895	0.2
75.04469	0.3
78.81889	0.3
79.05495	2.9
81.03423	2.4
81.07062	4.6
81.35571	0.2
83.04955	0.3
83.08643	0.7
84.04536	0.2
84.89581	0.2
85.02908	5.3
85.06578	0.5
85.10188	1.5
86.10508	0.5
87.04486	1.2
88.04778	0.4
89.06046	1.8
90.06370	0.3
91.03956	3.6
91.05479	2.8
93.07046	3.5
95.04974	1.0
95.08617	3.0
97.02900	3.7
97.06537	0.6
98.20874	0.4
99.04485	0.7
99.08118	0.3
101.02382	1.6
103.04008	0.4
105.07040	1.8
107.08602	2.0
109.02908	0.9
109.06510	0.4
109.10173	1.1
115.03924	0.4
117.07023	0.4
119.08589	1.2
121.10138	2.1
123.11745	0.6
127.03902	1.2
131.08580	1.0
133.06503	0.3
133.08632	1.2
133.10164	0.7
134.08981	0.4
135.11713	1.0
145.05026	0.3
145.10229	0.4
147.11739	0.7
149.09602	0.9
149.13277	0.5
159.11765	0.3
175.11235	0.5
175.14850	0.3
184.07449	0.3
185.04333	0.5
193.12315	0.7
199.20583	0.2
203.05247	0.3
211.84293	0.3
225.14865	0.5
228.44810	0.3
243.08421	2.1
265.14389	0.3
267.15955	0.5
283.15146	5.7
335.25934	0.9
339.17712	0.6
449.93176	0.3
469.20804	0.4
501.23019	7.3
519.29315	8.0
520.29816	0.4
705.42078	0.3
779.45496	100.0
780.45856	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	779.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
57.03449	0.9
57.07047	0.9
61.02933	4.4
67.05504	3.9
69.03429	2.3
69.07099	1.1
70.80915	2.3
70.81258	0.9
71.04996	2.6
72.43882	0.9
73.02922	3.5
79.05500	4.4
81.03410	1.6
81.07060	5.9
83.08629	1.3
85.02922	4.7
87.04482	1.1
91.03946	2.3
91.05491	3.7
93.06562	0.9
93.07042	4.9
95.08621	2.3
97.02888	5.1
101.02377	2.0
105.07039	3.3
107.08637	2.6
114.14061	0.8
119.08633	1.4
121.10142	1.1
127.03960	2.0
133.08594	1.0
133.10179	2.7
135.11740	1.4
185.04198	0.9
243.08458	2.4
259.20670	0.9
267.15787	1.3
300.69232	0.8
301.09045	2.1
405.60605	0.9
443.12839	0.9
485.24097	9.1
519.76740	0.9
535.28815	5.3
569.24683	0.9
611.01855	1.0
641.35156	1.0
727.88934	1.1
779.45483	100.0
780.45697	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	776.5728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.8
57.03436	0.7
57.07079	73.3
59.05005	14.2
59.05269	0.3
67.05503	1.6
68.05844	0.8
69.07078	2.3
70.81697	0.5
70.82041	0.9
71.08635	49.6
73.02909	1.0
73.06564	5.3
79.05493	1.0
81.03426	1.8
81.07069	2.1
83.08616	1.4
85.02921	0.4
85.10186	38.5
86.10555	0.5
87.04471	17.7
89.06036	100.0
90.06362	0.5
90.46730	0.4
91.05485	1.2
91.07604	0.7
93.07071	1.4
95.04945	0.7
95.08565	0.7
96.08962	0.4
97.06501	0.5
97.10166	1.7
99.11730	5.3
103.07589	5.8
107.07072	2.0
109.10156	0.6
111.11709	0.6
113.05994	0.7
113.13303	1.3
117.09135	6.3
119.08598	0.6
129.06926	0.5
129.09093	0.7
130.08673	2.5
131.07043	6.6
133.08609	77.8
134.08919	0.7
135.11746	0.5
141.16379	1.1
155.17961	4.1
157.06085	0.4
157.08661	0.7
161.11734	2.1
164.79208	0.5
174.86388	0.5
175.09691	5.9
175.13191	0.5
177.11232	32.9
179.12782	0.5
191.12816	0.7
195.12189	0.4
198.13890	0.5
199.20543	1.0
213.22145	4.3
219.12331	2.0
221.13821	6.8
223.15407	0.9
237.13281	0.5
239.14868	1.3
240.83481	0.4
257.24771	4.8
263.14890	0.5
265.16553	2.8
267.15817	0.9
268.16245	1.0
269.16370	0.8
283.17517	2.7
309.19012	1.9
327.20065	1.7
335.25745	1.0
336.26062	0.9
353.21677	1.3
371.22388	0.9
397.24258	1.3
415.25272	0.7
441.26758	0.9
459.27789	1.3
464.40601	0.5
485.29477	0.7
503.30402	2.4
528.37262	0.5
529.37872	1.3
547.32990	7.3
547.40546	0.7
587.35852	1.9
639.45905	0.4
759.53235	1.4
776.44543	0.7
776.57196	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
55.05519	2.1
57.03440	1.9
61.02927	4.1
67.05514	3.9
69.03432	2.4
69.07072	3.7
71.04984	0.7
71.62223	0.3
73.02913	3.4
79.05495	2.7
81.03416	1.9
81.07061	5.9
83.04999	0.5
83.08617	1.0
85.02907	4.6
86.09700	0.5
91.03945	3.1
91.05476	3.7
93.07037	3.6
95.04995	0.5
95.08612	2.2
97.02892	4.5
97.06551	1.1
97.10189	0.8
99.04480	0.8
101.02412	1.8
102.09138	0.3
105.07045	3.1
105.07642	0.5
107.04961	0.8
107.08582	1.9
109.02894	0.5
109.06541	0.3
109.10175	1.0
117.07034	0.5
119.08606	2.5
121.06492	0.6
121.10171	1.7
123.08122	0.7
123.11726	0.9
124.99987	0.4
127.03941	1.4
128.63673	0.3
131.08549	0.9
133.10127	1.0
135.11742	0.9
145.10155	0.4
147.11700	3.8
149.02315	0.6
154.92751	0.4
163.11356	0.5
163.20668	0.4
165.12785	1.5
172.19231	0.4
184.07370	1.8
185.04195	0.9
191.84180	0.4
203.05417	0.5
216.01613	0.4
223.11954	0.4
229.19588	0.6
243.08391	2.5
251.11307	0.6
251.12810	0.7
253.12914	0.5
259.08020	0.4
269.12326	2.2
275.20197	0.5
287.13452	1.0
301.08957	0.9
307.15118	0.6
333.20343	1.7
353.43784	0.4
365.92551	0.4
389.23120	0.8
453.20871	0.9
469.20218	11.2
535.29401	0.4
551.28430	4.8
555.13629	0.4
599.36285	0.5
617.36310	0.6
681.33698	0.8
761.39642	1.4
779.41888	100.0
780.42352	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25681	1.4
55.01873	3.2
55.05266	3.0
55.05519	43.2
57.03442	16.5
57.07085	3.5
59.04994	5.4
61.02918	1.7
62.64229	1.5
65.03944	3.4
67.05509	100.0
67.15176	1.5
69.03429	3.7
69.06718	2.1
69.07072	21.0
69.50587	1.4
71.01366	1.6
71.05007	4.3
71.08618	3.7
71.13596	1.5
71.17596	1.5
73.02898	2.2
78.29769	1.4
79.05498	48.6
81.03422	7.2
81.06580	3.1
81.07063	63.4
83.04989	6.1
83.08617	16.3
85.02910	17.5
85.06550	4.5
87.04470	6.8
89.06042	3.6
91.04012	1.8
91.05481	28.1
93.07051	45.6
95.04953	5.0
95.08616	45.3
97.02878	4.1
97.06541	5.0
97.10174	21.1
105.04530	1.6
105.07046	18.3
106.60620	1.7
107.04996	2.3
107.08604	31.2
109.06475	2.8
109.10162	60.6
111.08098	3.1
117.07014	7.2
119.08572	18.1
121.10150	23.4
123.08028	3.0
123.11709	4.8
125.09649	20.4
129.07019	1.9
131.08591	10.9
133.08607	3.6
133.10124	12.9
135.11711	13.1
137.09656	1.7
139.11089	2.5
143.08714	2.0
143.10666	4.0
145.10141	11.1
147.11749	6.3
149.09637	2.1
149.13269	6.7
155.08455	2.0
155.10666	2.6
157.10124	3.4
159.11703	5.4
161.13252	5.7
163.11211	5.2
173.11751	15.2
173.13304	4.2
175.11209	1.8
175.14828	1.8
177.11208	1.8
184.07378	1.8
185.13266	2.1
187.14824	2.9
193.12282	2.5
199.13278	11.0
209.11720	3.6
211.13242	2.9
217.14349	1.7
225.56114	1.6
227.12772	5.3
229.14351	49.7
229.16542	3.4
236.95647	1.7
243.21095	4.0
245.13835	3.4
257.14050	2.0
261.22107	15.7
267.15988	5.0
277.21741	2.2
289.21643	1.9
301.16434	16.6
335.25818	79.5
459.34988	2.8
477.35742	12.9
489.35873	18.6
525.35443	2.5
543.36786	4.2
561.37921	9.3
579.38586	2.4
740.80084	1.7
777.43665	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	776.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.4
57.03434	1.3
57.07079	98.8
59.05006	30.3
60.86926	0.5
67.05508	3.0
68.05849	0.7
68.77408	0.5
69.07066	2.8
69.96104	2.9
70.66613	0.5
71.08636	100.0
73.02917	1.3
73.06567	2.3
79.05499	2.1
81.03413	3.7
81.07065	3.7
82.03752	0.6
83.05013	0.8
83.08623	4.1
85.10188	89.8
86.10511	0.7
87.04476	16.2
87.08108	1.0
89.06038	93.9
91.05495	1.3
93.07069	2.6
95.04980	1.7
95.08614	2.1
96.08936	0.8
97.02924	0.6
97.10168	2.0
99.11741	9.1
101.06041	0.8
101.09646	1.8
103.07603	2.2
105.07034	1.1
107.07099	0.9
107.08570	0.7
109.10152	1.1
111.11745	1.0
113.06044	0.9
117.07070	0.6
117.09149	7.6
117.45929	0.5
119.08640	0.5
121.10137	1.2
124.22012	0.5
125.13275	1.1
129.09135	0.7
130.08649	2.1
131.07085	6.6
133.08614	72.9
135.10194	0.8
141.16400	10.2
147.10178	0.6
157.08575	0.7
161.11775	1.4
173.11732	0.7
173.33734	0.6
174.36108	0.5
175.09682	5.3
177.11237	31.0
181.19478	0.7
184.07344	1.5
194.12582	0.6
199.20590	22.6
219.12212	2.4
221.13826	7.0
239.14912	1.3
240.23265	2.0
257.24744	11.2
265.16406	2.4
267.15851	2.2
268.16199	1.8
269.16562	0.7
283.17563	1.9
309.19037	1.6
327.20020	1.5
335.25793	2.1
336.26154	1.5
337.26300	1.5
343.22229	0.5
353.21429	1.7
371.22815	0.8
397.24179	1.0
415.25177	1.3
459.27744	1.3
485.29202	0.8
503.30685	14.0
528.37750	1.3
529.37805	1.6
543.33319	2.4
546.38538	1.0
547.39075	2.6
561.34460	1.3
601.37573	1.5
759.54688	1.0
776.43597	0.8
776.57111	9.3
777.57086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.0
55.05511	38.4
57.03443	2.7
57.07077	16.7
59.05004	8.5
61.02927	3.3
67.05517	4.4
68.99795	2.1
69.03430	12.4
69.07070	32.5
70.06586	0.8
70.43605	0.7
70.43937	1.1
71.04995	2.6
71.08641	3.1
73.02926	2.7
79.05489	2.5
81.03418	16.8
81.07063	9.0
83.04998	3.1
83.08621	100.0
85.02908	26.5
85.03436	0.9
85.06570	0.7
85.10167	0.6
86.09699	1.1
87.00835	10.0
87.04458	4.4
87.08138	0.5
89.06034	39.3
91.03951	1.2
91.05504	3.3
93.07058	3.4
95.04958	3.8
95.08615	4.9
97.02900	10.3
97.06538	2.1
97.10173	35.0
99.04468	5.5
102.93079	0.6
103.03949	1.5
103.07609	1.6
105.01871	6.2
105.07064	1.8
107.04997	0.6
107.07090	1.2
107.08595	1.5
109.02883	17.9
109.06549	1.0
109.10159	1.4
111.04433	3.8
111.08213	0.5
111.11721	1.9
113.06033	0.6
114.66445	0.6
117.01843	1.1
117.07050	0.8
117.09155	2.4
119.08610	1.2
120.43956	0.5
121.06546	2.4
121.10196	0.7
121.17252	0.5
123.04418	0.9
125.06019	1.5
125.13338	0.8
127.03922	18.6
129.01837	1.8
129.66089	0.5
130.08632	0.8
131.07043	1.1
131.08623	0.9
132.77249	0.5
133.08606	36.2
135.11717	0.7
137.05988	2.4
137.13272	1.1
139.14824	1.6
143.14308	1.0
145.04961	3.7
145.10110	0.7
147.02872	1.1
147.08089	0.5
147.11749	0.7
149.05954	1.4
151.09653	0.8
153.05498	1.1
155.14296	4.8
157.15886	24.5
159.02928	3.5
167.07104	1.7
175.09724	1.1
175.16919	6.1
177.11227	10.8
177.12682	0.9
184.07381	1.0
185.08159	1.8
189.04041	1.5
191.12820	1.7
193.14465	0.7
195.12328	1.3
197.15347	0.9
201.09233	0.8
211.17043	1.6
213.03947	4.3
215.20065	22.3
219.12231	0.8
221.13832	7.6
231.05074	2.7
233.21115	1.3
239.14911	19.1
249.06143	0.9
253.16449	0.7
265.18253	0.7
268.58383	0.6
273.24237	14.2
273.27200	0.8
279.18033	7.8
283.17572	1.9
289.09103	2.8
297.19095	14.0
317.27011	0.7
323.20682	0.6
337.22165	5.0
341.21930	0.9
355.23364	2.5
362.55768	0.7
369.19034	0.9
369.24014	0.6
427.23544	0.9
493.37280	2.1
511.38495	33.7
512.38837	0.7
523.30920	0.7
614.36798	4.5
776.42426	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	774.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.7
57.03450	11.2
57.07066	4.1
59.04984	2.0
61.02919	5.8
65.03934	3.6
66.78949	1.5
67.05511	73.4
69.03415	5.0
69.07073	20.0
71.04998	44.2
71.55894	2.2
71.56318	2.5
73.02918	3.4
73.06570	1.5
75.67489	1.4
79.05498	48.8
81.03411	3.9
81.07062	100.0
83.04974	5.3
83.08626	11.9
85.02892	4.4
85.06545	11.6
91.03950	1.8
91.05491	73.3
93.06474	3.5
93.07047	57.6
93.76410	1.7
95.04961	7.2
95.08613	34.7
97.06540	9.2
97.10162	5.1
99.08087	2.7
105.07035	56.9
107.08606	33.8
109.06528	3.8
109.10142	17.1
110.35203	1.7
111.08089	3.2
117.07022	17.8
119.08580	41.9
121.10149	20.1
123.08042	2.7
123.11731	13.6
125.09622	6.6
127.03902	2.6
129.06990	8.7
131.08578	27.0
133.10139	45.7
135.08002	3.1
135.11713	16.1
137.09668	2.0
139.11218	2.9
141.07016	4.1
143.08565	11.0
145.10124	23.6
147.11697	25.8
149.09625	3.4
149.13246	12.9
151.11195	11.0
155.08600	3.2
157.10146	13.3
159.11696	27.4
161.13261	13.0
163.14812	3.1
169.10112	5.4
171.11696	13.2
173.13252	12.7
175.14882	4.6
177.12828	2.7
181.10045	2.1
183.11691	4.2
183.13724	2.2
184.07312	3.7
185.13274	8.2
187.13254	5.5
187.14767	4.1
195.11714	2.7
195.13821	2.4
197.13208	3.9
199.14835	5.1
213.16635	2.2
231.21152	2.1
241.19679	7.9
243.15901	7.4
251.17958	2.1
257.17264	8.3
259.20627	27.8
269.14838	1.7
269.17419	8.0
299.18466	2.6
301.20059	26.6
315.23123	6.0
333.24289	31.3
335.25815	5.8
368.99115	2.0
409.30807	4.9
417.31152	3.0
435.32419	6.9
483.34451	7.3
501.35794	81.9
502.36267	2.0
503.37131	5.6
509.36163	6.8
515.38110	1.9
527.37360	61.0
533.38159	7.0
545.38416	10.5
559.40002	28.0
577.41028	2.5
596.34613	1.8
597.54877	2.0
671.41058	2.6
703.44293	2.0
774.40472	15.3
789.46204	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	774.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90097	0.7
55.05503	2.1
57.03423	2.8
57.07080	100.0
59.05005	35.9
67.05495	1.8
69.07057	2.4
69.28126	6.8
71.08636	71.8
75.92585	0.7
79.05510	1.0
81.07060	1.7
81.33118	0.9
83.08615	2.8
85.10188	60.8
87.04477	5.3
89.06038	27.9
91.05474	1.0
95.08605	1.3
97.10165	4.0
99.08080	0.9
99.11742	11.8
101.09669	3.8
113.13285	4.5
117.09136	13.2
121.10114	0.8
130.08629	0.9
131.07042	1.8
133.07645	1.2
133.08612	18.0
155.17955	10.2
175.09686	1.3
177.11226	10.3
200.45981	0.7
212.48947	0.7
213.22137	21.1
221.13824	1.5
254.24741	2.0
271.26318	24.5
273.27722	0.7
283.17352	1.2
322.04739	0.9
327.20166	1.2
329.30515	1.8
371.22781	8.0
413.81555	0.8
429.26758	2.6
469.30237	0.9
612.46820	0.9
634.36456	0.8
774.60156	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	774.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
55.05518	18.3
57.03189	1.7
57.03446	19.1
57.07076	4.1
59.05008	1.5
61.02928	1.2
65.03941	3.9
67.05508	63.5
69.03429	3.7
69.07070	16.4
71.04996	3.8
71.24358	1.6
71.24705	1.6
73.02918	1.0
79.05497	46.9
81.03423	83.5
81.07062	66.1
83.04992	6.1
83.08625	24.5
85.02898	1.9
85.06550	2.3
85.10193	1.9
91.05489	37.4
93.07049	45.8
95.04980	28.4
95.08614	44.3
95.09236	1.8
97.02866	2.7
97.06518	3.3
97.10191	7.4
99.08097	1.9
105.06444	0.7
105.07040	23.2
107.04982	8.3
107.08604	28.2
109.06532	4.0
109.10166	20.6
111.04427	1.7
111.08125	5.5
115.05460	1.9
117.07037	9.4
119.04970	1.8
119.08593	23.4
121.06527	4.0
121.10150	23.7
123.04457	2.0
123.08090	3.6
123.11704	9.5
125.09599	5.3
128.06187	1.3
129.07025	10.6
131.08582	22.5
133.06522	2.6
133.10127	14.0
135.08145	2.7
135.11687	13.7
137.09610	2.9
137.13260	1.6
142.07773	2.7
143.08577	2.4
145.10092	12.3
145.35472	1.1
147.08031	2.9
147.11684	15.5
149.09651	5.1
149.13298	9.0
151.11214	1.2
151.14868	1.0
155.08566	1.9
157.10130	10.7
159.11702	8.9
161.09634	1.1
161.13295	5.8
163.11206	3.4
163.14854	4.6
165.12753	2.9
171.11702	2.6
173.13278	7.8
175.11163	11.0
175.14761	2.4
177.16357	1.8
178.13087	1.3
183.53584	1.1
185.13301	2.1
187.13316	1.0
187.14861	4.1
189.11217	4.2
189.12790	1.5
191.14323	1.3
193.12262	22.2
197.13312	1.1
201.16461	1.3
205.12245	1.2
205.16005	1.2
211.13268	2.7
219.13646	1.3
227.12762	8.4
235.13315	1.3
243.15988	2.9
243.21101	6.4
249.14900	3.1
261.22128	19.8
267.15924	100.0
279.23120	1.3
298.57010	1.3
299.23544	1.2
301.14264	2.4
301.25305	7.1
303.23254	1.1
309.17001	2.8
317.24835	3.2
333.24326	1.1
335.25812	87.9
336.26266	1.6
368.19931	1.0
374.16360	1.2
408.50098	1.1
417.31125	1.7
421.25784	2.3
435.27249	2.6
435.32547	4.5
453.33698	7.6
471.34576	4.2
503.37527	1.2
509.36795	1.6
516.96820	1.0
527.37347	66.9
528.37628	2.3
545.38416	62.5
546.38464	1.6
559.39801	2.6
569.38019	4.1
577.40723	1.4
774.51434	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.5
55.05515	19.6
57.03444	9.7
57.07072	1.4
59.70068	1.1
59.91743	1.2
61.02917	1.7
65.03947	3.1
67.05504	49.2
69.03429	5.6
69.07069	27.1
70.68086	3.4
71.05009	6.0
72.91368	1.1
73.02908	2.5
73.78531	1.2
79.05495	41.5
81.03419	6.3
81.07059	100.0
83.04984	11.2
83.08621	15.1
85.02909	5.2
85.06541	4.1
91.05483	46.7
91.06071	1.3
93.07043	36.7
95.05000	6.7
95.08607	29.5
95.09166	2.3
97.02872	4.2
97.06540	14.6
97.10175	10.7
99.04454	2.5
99.08092	5.0
103.05508	1.4
105.07034	53.7
107.04964	6.7
107.08598	35.3
109.02864	1.2
109.06508	8.0
109.10168	9.7
111.08094	2.2
117.07009	9.0
119.08583	39.1
121.06544	3.9
121.10144	27.4
123.08064	7.4
123.11708	26.8
125.09653	8.3
127.03939	2.7
127.07591	1.9
129.05531	1.6
129.07018	3.4
131.08569	15.3
133.06540	1.4
133.10126	18.9
135.08060	3.9
135.11688	7.2
137.05898	1.3
137.09634	3.3
137.13266	3.2
142.07816	1.3
143.08560	3.8
145.10118	13.1
147.11690	67.9
149.09665	10.9
149.13268	4.7
157.10110	5.3
159.11668	10.3
161.13255	4.6
163.11145	6.7
165.12752	24.5
169.10162	2.9
171.11700	2.9
173.13231	4.8
175.11194	3.4
177.12677	1.7
179.14330	2.2
183.11720	2.9
183.13718	2.9
184.07347	3.4
185.13271	2.4
189.11241	3.5
193.12276	2.0
195.13820	2.5
197.13254	2.5
227.12823	13.4
229.14319	7.9
229.19492	2.4
239.18008	2.4
247.20459	2.0
255.15999	4.3
257.19000	10.6
259.20691	2.7
267.15927	93.5
269.17453	8.6
275.20084	35.3
285.16971	50.2
293.21179	3.2
301.16592	1.9
331.22699	2.4
331.51907	1.3
333.24307	1.4
349.23697	33.5
367.24738	2.5
407.28226	1.2
437.25531	7.9
437.31052	1.3
439.26651	3.7
449.30304	1.6
455.26471	2.6
463.30295	2.5
465.28436	10.3
479.30054	40.5
519.32849	1.5
541.35217	7.8
558.81958	1.3
559.36316	63.4
560.36609	2.3
577.37585	8.9
723.14020	1.3
774.39618	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	773.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.8
55.05513	33.3
57.03439	16.8
57.07063	7.2
59.04986	2.7
61.02922	11.9
65.03923	5.9
66.55042	1.8
67.05508	95.6
69.03408	8.9
69.07078	27.6
70.92148	1.7
71.04991	4.8
71.08623	3.1
73.02913	5.4
75.16377	1.7
77.19198	2.0
77.93842	2.0
79.05498	82.6
80.60947	1.7
81.03407	5.9
81.07063	87.7
83.04969	6.2
83.08625	11.8
85.02917	10.5
85.06522	4.7
85.10155	3.4
87.22013	2.1
91.03951	7.2
91.05486	72.3
93.07053	100.0
93.58448	1.8
95.04980	9.2
95.08610	77.6
96.64435	1.7
97.02885	9.5
97.06535	7.4
97.10164	6.2
99.04457	2.4
99.08087	3.7
103.03896	2.5
103.05460	2.5
105.04486	4.0
105.07041	70.1
107.04951	2.6
107.08600	54.5
109.06495	4.3
109.10155	29.2
109.74475	1.9
111.08048	3.0
115.03864	2.5
115.05470	3.7
117.07017	27.4
119.08582	59.8
121.06492	2.7
121.10158	40.3
123.08022	2.4
123.11703	10.2
127.03898	2.2
128.06206	1.9
129.07031	15.6
131.08580	41.8
133.06592	2.9
133.10139	47.9
135.08084	2.5
135.11696	26.5
137.09586	4.1
137.13234	2.3
141.06955	2.9
142.07837	2.3
143.08566	15.8
145.10132	37.8
147.08018	2.9
147.11684	42.7
149.09549	2.5
149.13269	12.9
155.08519	6.7
156.09319	2.8
157.10109	18.9
159.08109	2.4
159.11708	34.8
161.13266	27.9
163.14825	8.8
165.12837	2.4
167.08557	2.4
169.10103	8.3
171.11717	20.8
173.13269	25.0
175.11217	2.1
175.14853	15.2
181.10138	6.5
183.11697	7.8
185.13290	17.0
185.67232	2.3
187.14807	10.2
195.11673	4.3
197.13271	6.3
199.14778	7.6
201.16403	4.6
209.13240	2.9
211.14940	3.8
213.16420	4.1
215.17976	3.1
217.16095	1.9
217.19450	2.5
227.17841	2.5
231.21097	4.8
237.16472	3.7
239.17955	2.7
241.19534	20.5
243.21101	3.0
257.18973	9.5
259.20581	51.2
261.22153	7.6
273.22141	2.8
277.21570	2.5
278.54956	2.2
297.22037	2.1
301.21658	3.1
315.22971	3.3
317.25085	2.6
331.22668	2.9
333.24277	33.1
335.25778	82.0
336.26349	3.4
337.27798	2.8
343.22415	2.7
357.24066	1.9
367.22720	4.5
375.25287	2.3
403.24973	3.0
457.32306	2.3
459.27380	2.2
519.41858	7.0
537.43042	2.3
541.38428	2.8
593.45557	12.2
609.44891	2.8
611.46704	90.3
612.47089	2.9
635.46692	3.1
701.47870	3.8
719.48419	3.4
737.49152	5.8
755.50562	6.2
773.52722	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	773.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.0
55.05260	2.0
55.05514	28.4
57.03443	14.5
57.07077	7.6
58.46548	1.5
59.04998	1.6
61.02923	11.4
65.03938	4.8
67.05508	97.5
68.05846	1.5
69.03421	8.5
69.07066	29.2
71.04990	4.0
71.08636	3.6
71.16863	2.9
73.02923	4.2
76.44465	1.3
77.28638	1.3
79.05497	76.1
80.47292	1.2
81.03398	6.7
81.07062	87.4
83.04977	4.3
83.08620	15.1
85.02922	13.7
85.06535	4.4
85.10173	1.4
91.03952	5.5
91.04888	2.3
91.05482	71.0
93.07048	91.0
95.04986	9.0
95.08610	74.5
97.02911	11.5
97.06552	6.9
97.10174	5.7
99.08105	2.5
103.05449	2.2
105.04526	2.3
105.07037	64.6
107.04922	1.5
107.08600	54.1
107.88010	1.3
109.02905	2.0
109.06525	4.5
109.10163	28.7
111.08093	2.3
113.09724	1.6
115.05471	3.0
116.06272	1.7
117.07026	24.6
119.08586	64.6
121.06532	3.0
121.10150	40.6
121.62817	1.5
123.08067	3.6
123.11681	10.9
125.09666	1.8
127.03922	2.3
128.06242	4.1
129.05548	1.6
129.07004	16.8
130.07817	2.0
131.08569	43.5
133.06505	2.3
133.10139	46.2
135.08041	2.4
135.11694	27.7
137.09630	2.1
137.13237	2.9
141.07019	4.2
142.07776	2.9
143.08583	19.1
145.10133	33.3
147.08054	2.4
147.11693	40.2
149.09637	3.7
149.13283	19.1
153.06946	1.7
153.09067	1.6
154.07738	1.7
155.08604	7.4
157.10136	21.4
159.08083	2.2
159.11685	29.8
161.09674	1.6
161.13260	28.1
163.11165	3.5
163.14758	7.2
167.08601	3.3
169.10133	11.3
171.11696	22.3
173.13264	21.9
175.11226	2.7
175.14832	19.2
177.12750	1.5
177.16385	1.8
178.13379	1.6
181.10152	4.1
183.11696	7.6
185.09448	1.5
185.13272	18.5
187.11258	2.2
187.14827	9.4
189.12785	3.1
189.16370	3.2
195.11723	3.7
197.13234	8.1
199.14810	9.1
201.16426	3.0
203.14435	1.8
209.13292	3.3
211.14841	4.4
213.16429	7.1
215.18088	2.1
217.15991	1.7
217.19569	1.6
223.14857	1.3
225.16415	1.7
227.17978	2.6
229.19438	1.9
231.21086	5.3
239.18059	3.2
241.19576	29.5
243.21106	5.3
243.53995	1.5
251.17960	1.4
253.19626	1.5
255.21115	1.7
257.19040	10.1
259.20569	57.0
261.22177	10.3
267.21475	1.6
271.20569	3.5
271.85345	1.5
273.22256	2.1
275.20197	2.2
277.21719	2.0
283.20572	1.9
285.22168	3.3
289.21701	2.1
297.22321	1.6
299.23254	1.6
301.21567	3.0
313.21631	2.5
315.23169	5.0
325.21719	2.8
331.22504	2.9
333.20340	2.9
333.24240	40.2
335.25812	85.1
336.26071	2.4
337.27383	4.2
339.23120	2.2
349.21198	2.3
351.25616	1.5
363.25449	1.9
367.22568	3.7
385.23779	4.5
403.24365	1.8
489.36102	1.7
519.41907	4.4
537.42938	1.8
593.45740	10.5
609.45209	6.2
611.46722	100.0
612.46832	6.1
635.46973	3.1
677.47357	1.8
689.47345	1.8
701.47510	5.9
719.48346	4.9
737.49286	5.9
755.50586	5.1
773.52374	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	773.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	5.3
55.05510	26.1
57.03440	13.8
57.07071	9.5
59.04989	7.8
61.02921	10.7
65.03931	6.7
67.05509	78.1
69.03417	10.5
69.07076	25.3
70.12263	6.2
70.12648	5.2
71.04985	7.3
71.08620	6.3
73.02908	6.3
79.05075	3.2
79.05496	61.8
81.03413	8.4
81.07063	83.5
83.04978	4.6
83.08625	13.2
85.02892	12.4
85.06557	4.0
85.10192	6.8
87.04438	3.0
89.06032	3.2
91.03944	6.1
91.04975	5.2
91.05489	65.2
93.07054	76.5
94.07354	3.4
95.04936	11.8
95.08045	4.4
95.08614	55.4
97.02885	9.4
97.06554	3.5
97.10147	4.2
98.21413	3.6
99.08045	2.8
103.05447	3.2
105.07039	55.2
107.08594	41.7
109.10160	23.8
111.08047	3.7
117.07028	25.3
119.07793	4.4
119.08588	54.3
121.06522	2.9
121.10145	34.9
123.08040	6.4
123.11697	9.2
128.06310	2.8
129.05470	3.1
129.06992	15.2
131.08572	35.9
133.06532	3.4
133.10146	37.8
135.08037	6.3
135.11705	25.8
137.09589	4.3
137.13161	3.0
141.06998	4.5
143.08583	20.8
145.06506	3.0
145.10121	33.8
147.11699	34.2
149.09593	4.1
149.13235	13.2
151.59840	3.2
155.08559	8.4
157.10155	15.7
159.08058	4.0
159.11700	30.2
161.13263	22.3
163.11147	4.1
163.14796	3.4
167.08481	3.5
169.10117	6.7
171.11688	21.0
173.13301	18.3
175.11276	2.8
175.14809	13.9
181.10124	5.0
183.11673	8.9
184.16354	2.9
185.13239	11.4
187.14783	8.7
193.10294	3.1
197.13289	6.4
199.14804	14.1
201.16364	4.8
211.14819	5.2
213.16287	4.7
215.17918	3.2
231.21057	4.3
241.19589	24.4
257.19073	6.0
259.20587	48.1
261.22092	9.2
273.22040	3.7
275.20096	4.5
301.21716	2.9
307.28256	3.3
315.23166	4.7
333.24210	32.5
335.22076	4.1
335.25827	60.0
337.27344	3.9
367.22623	4.6
385.23743	5.4
519.42096	4.1
541.39557	4.1
593.45459	7.7
611.46680	100.0
612.47003	4.9
701.47369	6.1
719.48279	3.3
737.48474	3.8
773.50574	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	771.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	2.2
55.05443	9.8
55.05737	1.3
57.03370	5.0
57.07014	2.0
57.07274	0.7
60.84333	0.8
60.84639	0.6
61.02852	13.9
61.03200	1.7
65.03874	1.5
67.05428	19.2
67.05824	1.8
69.03353	7.7
69.06988	10.1
69.66989	0.7
69.80750	0.7
71.01295	0.9
71.04933	1.8
73.02837	6.8
79.05412	15.9
81.03335	3.9
81.06971	21.2
81.07503	1.5
83.04930	1.5
83.08537	4.6
85.02911	10.4
85.06490	1.2
87.04400	0.8
91.03960	5.7
91.05486	15.2
93.07045	15.6
94.07300	0.7
95.04897	2.1
95.08610	18.0
97.02889	11.2
97.06433	2.3
97.10158	3.2
99.04391	1.6
101.02301	1.4
103.05361	0.9
105.04454	0.7
105.07042	14.6
106.07304	0.8
107.04906	1.7
107.08604	9.9
109.02793	1.8
109.06503	1.5
109.10162	6.8
111.08017	1.4
115.05341	0.7
117.07028	7.0
119.08585	14.6
121.10146	6.7
123.07944	1.9
123.11600	2.3
125.09543	1.5
127.03820	2.1
128.06151	2.5
129.05466	0.8
129.06999	10.8
131.08583	10.6
133.10123	9.0
135.08022	0.8
135.11716	4.5
136.11847	0.7
137.09479	0.9
137.13182	0.7
139.11098	1.0
141.06989	3.8
142.07706	1.8
143.08563	11.8
145.04836	0.8
145.10130	13.6
147.11688	6.0
149.09528	1.3
149.13170	2.6
151.11172	0.7
153.06868	1.2
154.07686	1.2
155.07410	0.7
155.08560	9.2
156.09178	1.7
157.08954	0.9
157.10132	12.1
159.11723	7.6
161.13228	4.2
163.14638	0.9
165.06877	1.6
166.07759	1.1
167.08591	3.9
168.09227	1.5
169.10124	11.5
170.10727	1.0
171.11717	11.0
173.13300	5.2
175.14709	1.1
179.08569	1.6
181.10135	8.0
182.10698	1.6
183.11717	11.3
185.13255	9.3
187.14761	3.0
189.16347	1.2
191.08481	1.2
193.10168	3.4
194.10863	1.1
195.11699	7.1
196.12274	1.1
197.11765	0.8
197.13286	8.9
197.41939	0.7
199.11349	0.8
199.14868	3.9
201.16365	1.1
205.10040	1.1
207.11612	2.6
208.53937	0.6
209.11525	1.0
209.13269	7.1
210.13997	0.9
211.14850	6.5
213.16370	3.3
216.59593	0.6
219.11545	1.3
221.13124	2.5
223.14801	4.3
225.16457	4.2
227.17938	1.8
231.11440	0.9
235.14726	3.1
237.16400	3.5
238.16632	0.7
239.17873	2.5
241.19586	1.2
247.14900	0.9
249.16208	1.3
251.17908	2.1
253.19342	1.1
257.18982	0.9
259.20569	1.4
263.17902	1.6
265.19406	1.5
267.21191	0.7
277.19373	1.1
283.20490	1.2
291.21002	0.9
299.20172	1.4
309.22046	1.3
311.23651	1.0
321.22278	1.4
323.23694	1.1
325.25369	1.0
337.25009	0.8
349.25363	0.9
356.26920	0.7
363.27094	0.9
365.24417	1.0
365.28452	1.7
391.29913	1.0
397.53787	0.8
407.29541	0.9
409.30643	0.8
441.30228	0.7
447.32501	1.3
461.33472	1.0
475.03445	0.7
495.35181	1.0
515.38519	0.9
517.40454	6.7
521.36548	0.7
535.41467	3.4
539.37231	1.9
541.38898	1.5
553.38586	0.7
591.44043	8.0
607.43530	3.6
608.42987	1.0
609.45129	100.0
610.45471	5.1
621.45007	2.2
625.42053	0.9
651.45801	1.7
675.46698	0.9
735.47803	2.2
753.49353	3.2
771.50311	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	765.44
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.3
57.03445	1.3
58.30068	0.4
59.43774	0.4
61.02932	4.9
67.05513	4.5
68.67587	0.4
69.03428	3.1
69.07077	1.5
70.84396	1.0
71.01367	0.7
71.05013	0.6
73.02921	4.2
78.61842	0.4
79.05499	4.0
81.03419	2.8
81.07067	5.2
83.04985	0.9
83.08649	1.0
87.04482	0.8
91.03986	2.9
91.05474	2.9
93.07055	4.0
95.04955	1.0
95.08614	3.6
97.02908	5.5
99.04485	0.8
101.02399	1.9
103.03963	0.6
105.07052	1.8
107.08605	2.0
109.02899	1.0
109.10175	1.0
111.08128	0.5
115.05486	0.6
119.08617	2.0
121.06536	0.5
121.10151	2.8
123.11758	0.6
127.03947	1.7
131.08621	1.1
133.10152	0.8
135.11717	1.0
144.17355	0.5
145.10156	0.7
149.09654	0.8
157.10175	0.8
175.11209	0.7
184.07297	0.6
185.04198	0.6
193.12366	0.4
203.05247	0.5
243.08449	2.6
251.12740	0.9
269.13644	2.1
335.25943	0.8
412.43463	0.5
416.80533	0.5
443.19077	4.2
469.20563	2.9
476.53751	0.5
487.21661	5.1
519.29333	9.2
521.43475	0.5
522.31427	0.4
539.49371	0.5
591.31451	0.7
721.41309	1.3
747.43121	2.1
765.43982	100.0
766.44159	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	771.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05418	7.1
55.05713	2.0
57.03345	3.0
57.07018	0.8
60.28249	0.6
61.02826	9.4
61.03170	2.1
65.03858	1.3
67.05402	14.9
67.05804	2.8
69.03324	6.6
69.03727	1.4
69.06963	6.9
69.07366	1.3
70.03733	2.3
70.04143	1.4
71.04917	1.4
73.02805	5.9
73.03255	1.4
79.05378	10.2
81.03301	2.4
81.06941	14.7
81.07455	1.9
83.04874	0.8
83.08509	3.8
85.02783	9.1
85.06453	0.9
91.03837	6.0
91.05358	8.6
93.06918	11.3
95.04043	0.7
95.04825	1.2
95.08480	15.2
95.57188	0.5
97.02771	8.4
97.03442	1.4
97.06442	1.3
97.10054	2.3
99.04366	1.3
101.02287	1.3
105.06894	11.1
107.08457	7.2
109.06395	1.1
109.10031	5.3
111.07997	1.4
115.05321	1.4
117.07021	7.3
119.08581	9.0
121.10161	5.6
122.40472	0.7
123.07993	1.1
123.11598	1.5
125.09534	1.2
127.03785	2.1
128.06061	2.3
129.06857	6.9
131.08580	8.1
133.10158	5.6
135.11703	3.3
139.11015	0.7
141.07016	4.0
142.07658	1.9
143.08577	9.0
144.09229	1.1
145.10124	8.7
147.11668	4.5
149.13161	1.2
153.06822	0.8
154.07646	1.9
155.08572	7.7
156.09232	1.1
157.10130	9.6
159.11684	7.4
161.13142	2.3
165.06873	0.8
167.08548	3.2
169.10138	9.5
171.11716	9.4
173.09511	0.9
173.13287	3.8
175.14737	1.2
179.08415	2.1
181.10121	5.5
182.10724	0.8
183.11731	9.7
185.13278	6.9
187.14644	2.8
189.16330	1.0
193.09999	2.9
195.11734	5.5
197.13277	7.3
199.14833	4.6
201.16330	1.3
205.09990	1.0
207.11530	2.3
209.13191	5.5
210.13913	0.7
211.14835	4.3
213.16508	3.1
219.11607	1.2
221.13037	2.2
223.14783	3.9
225.16339	3.0
227.17911	1.6
233.13268	0.9
235.14731	1.3
237.16261	2.6
239.17778	1.7
247.14676	1.0
249.16214	1.8
251.17877	1.5
263.17853	1.4
265.19440	1.4
279.21066	0.7
297.18533	0.8
309.22153	0.9
321.22025	1.0
323.23563	0.8
337.25320	1.0
339.23053	0.7
349.25040	1.3
350.00903	0.7
351.26840	1.6
365.28403	1.0
367.26215	0.8
379.30014	1.4
447.32660	0.8
501.36261	1.1
513.35345	0.9
517.40424	4.3
521.36859	0.8
535.41431	2.7
539.37488	2.2
540.38080	1.1
541.39233	1.1
553.38837	0.9
573.42780	0.9
591.44000	6.2
607.43561	2.0
609.45160	100.0
610.45569	4.2
611.46716	1.7
621.44946	1.6
667.75067	0.8
717.47766	1.1
735.48419	1.5
753.49908	1.5
771.50525	23.6
772.50635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05511	2.1
57.03437	1.7
61.02936	5.5
67.05518	4.4
69.03430	3.0
69.07072	1.9
73.02912	4.3
73.67614	0.8
79.05507	4.6
81.03407	1.5
81.07060	6.5
83.08630	1.1
85.02917	3.8
86.27027	0.8
91.03954	3.5
91.05488	5.1
93.07043	5.7
93.83229	0.8
95.08596	3.8
97.02891	3.8
101.02370	1.7
104.10728	1.2
105.07043	4.0
107.08603	2.8
109.10232	1.4
119.08564	4.1
121.10165	1.6
127.03932	1.8
131.08566	1.4
133.10114	2.0
135.11668	0.9
147.11728	3.3
165.12802	2.1
184.07384	3.5
185.04292	1.0
243.08469	1.6
243.53745	0.8
251.11360	2.4
259.20462	1.0
269.12387	3.4
287.13562	1.6
299.18686	1.0
301.09048	1.1
317.19595	1.0
325.14847	1.1
469.20056	12.2
483.22784	1.2
517.28241	1.4
535.28900	5.6
541.22296	1.2
601.36267	0.9
745.40894	9.1
763.42334	100.0
764.42456	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	763.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01866	0.6
55.05508	0.8
57.03442	1.8
57.07070	0.4
61.02925	6.2
66.43167	0.3
67.05505	5.9
69.03426	3.4
69.07076	0.9
69.87925	1.1
71.01334	0.3
71.04996	1.6
71.08639	0.5
73.02925	4.2
79.05493	4.2
81.03414	1.3
81.07056	5.7
83.04989	0.4
83.08623	0.9
85.02900	5.5
85.06558	0.5
87.04465	0.6
91.03957	4.1
91.05479	2.7
93.07040	3.4
95.04975	0.5
95.08614	3.9
97.02893	4.9
97.06537	0.5
98.20801	0.4
99.04462	0.9
101.02388	2.5
102.11792	0.3
103.03967	0.4
105.07030	1.2
107.08593	2.2
109.02903	0.7
109.10159	1.7
115.03931	0.7
117.07082	0.4
119.08595	1.0
121.10173	1.2
121.50328	0.3
123.11711	1.1
127.03914	2.0
131.08589	1.2
133.10149	1.5
135.11737	1.1
145.04956	0.6
145.10159	0.3
149.13280	1.0
151.11150	0.5
159.11743	0.4
167.44168	0.3
185.04280	0.8
203.05359	0.6
243.08368	1.9
257.17636	0.6
267.15576	2.1
335.25955	0.7
485.23486	5.0
519.29297	7.7
763.45990	100.0
764.46271	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	763.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.3
55.01871	2.2
55.05508	15.8
57.03426	6.8
57.07069	5.3
57.12248	1.6
61.02918	7.8
65.03922	3.2
65.82529	1.6
67.05511	29.0
69.03435	15.0
69.07068	25.7
70.06567	2.3
70.81758	4.2
71.01004	1.4
71.01352	6.9
71.04985	3.8
71.08643	1.9
73.02911	6.3
75.64497	1.4
79.05507	16.1
81.03426	7.7
81.07063	46.2
83.01345	2.5
83.08620	15.0
85.02911	89.2
86.09711	2.5
91.03978	2.2
91.05496	18.2
93.07055	30.8
95.01331	22.1
95.08612	100.0
97.02895	34.4
97.10166	7.3
99.00803	2.7
99.04445	3.0
101.02393	1.9
103.03939	1.9
105.07040	41.0
107.08601	66.1
109.02887	6.2
109.10165	75.8
111.11749	6.1
113.02390	5.0
117.07051	4.8
119.08588	63.0
121.10150	56.1
123.11713	25.0
127.03928	18.1
129.07056	2.0
131.03404	3.9
131.08583	12.3
133.10138	53.6
133.11667	2.4
135.11708	38.7
137.13261	9.2
141.01837	61.7
142.00894	1.6
143.08553	3.4
145.04965	26.8
145.10130	22.0
147.11694	44.6
148.16284	1.7
149.06267	1.7
149.13272	27.3
151.14835	3.1
157.10124	4.7
159.02884	7.8
159.11699	23.2
160.12326	1.9
161.13266	42.6
163.06021	4.1
163.14807	26.8
165.16383	1.8
170.11031	1.9
171.11674	2.8
173.13284	15.6
175.14842	24.9
177.16396	37.2
179.18002	6.0
184.07353	6.3
185.13264	3.3
187.14850	22.0
189.16393	78.0
191.17958	63.1
199.14955	2.6
200.17213	1.7
201.16396	32.5
203.17978	62.5
205.19521	23.8
207.17435	4.1
213.16466	3.5
215.17928	21.9
217.19518	47.7
219.21153	10.0
227.17979	5.5
229.19624	18.2
231.21071	14.6
241.19501	5.2
243.21075	11.0
245.22647	4.3
255.21097	6.8
257.22659	9.4
269.22610	8.6
271.24216	9.1
283.24216	3.5
297.25778	16.4
301.71375	1.8
359.82797	1.8
365.32211	2.3
396.76114	2.0
407.36765	81.0
407.42209	3.9
408.36923	4.0
425.37646	7.5
444.23358	2.1
500.49686	1.9
515.34558	2.1
763.39972	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	762.557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.4
57.07077	53.0
57.42648	0.4
59.04702	0.7
59.05001	13.0
59.46454	0.4
67.05518	0.5
69.07067	1.2
69.22794	1.5
69.23219	2.6
71.08632	49.0
73.02923	1.4
73.06558	5.4
74.96354	0.4
75.73524	0.4
81.07076	0.8
82.20505	0.4
83.08623	1.3
85.10183	45.4
87.04472	16.7
89.06033	100.0
90.06378	0.7
91.05461	0.5
93.07043	0.4
95.04963	0.4
95.08607	0.6
97.10167	0.9
98.21520	0.8
99.11714	4.2
99.12256	0.5
103.07590	5.8
105.06998	0.5
107.07067	1.5
113.05997	1.2
115.07539	0.7
117.09124	5.3
127.14809	0.7
129.09123	0.6
130.08656	2.3
131.07045	6.9
131.10648	0.7
133.08606	75.8
134.08958	0.6
135.10147	0.9
141.16394	3.4
151.09541	0.5
155.18011	0.6
159.10101	0.6
161.11719	1.7
166.97607	0.4
175.09689	6.3
177.11229	34.3
179.12837	0.5
185.18907	0.5
199.20537	4.7
205.68777	0.4
219.12280	2.4
221.13860	7.0
223.15532	0.6
239.14828	1.6
243.23251	5.2
263.14966	0.8
265.16534	2.0
283.17465	2.3
309.19006	1.4
327.20139	2.2
353.21661	1.6
355.11234	0.4
371.22482	0.5
397.24005	0.8
415.25412	0.5
441.26651	0.8
459.27756	0.7
503.30505	1.7
547.33325	7.5
587.35938	1.9
745.52716	1.5
762.41687	1.0
762.55493	6.4
763.41840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.96567	3.7
57.07074	1.5
61.02930	1.8
67.05504	1.7
69.03426	1.4
73.02905	1.0
79.05497	1.6
81.07076	1.2
84.96040	1.0
85.02927	0.8
85.10207	0.7
87.04472	1.0
89.08102	0.7
91.05505	2.1
93.07059	1.4
95.08634	1.4
97.02927	1.5
98.97604	2.0
109.10166	0.8
112.99174	1.1
121.10149	0.8
127.82983	0.8
131.00182	1.2
137.05975	2.2
149.01303	0.8
158.99734	0.8
241.11218	6.2
259.12048	3.8
267.09128	2.5
272.20172	1.3
285.10114	3.5
293.05438	1.2
303.11185	1.6
308.12057	0.8
317.17795	1.8
485.16980	15.6
621.27325	0.9
637.54285	0.8
763.40088	100.0
764.39801	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	762.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
54.64084	0.7
55.01875	1.8
55.05264	1.3
55.05513	17.2
56.96542	1.1
57.03426	2.8
57.07078	14.3
59.04745	0.8
59.05011	7.7
61.02922	2.2
67.05507	6.0
69.03439	11.0
69.07073	100.0
70.06590	2.4
70.07401	1.1
70.52271	2.4
71.04980	2.9
73.02918	2.6
75.99239	0.7
79.05485	1.6
81.03421	13.0
81.07069	5.8
83.04977	2.7
83.08625	51.8
85.02907	24.1
85.03423	1.0
85.06521	1.1
86.09701	1.3
87.00836	8.1
87.04476	3.8
89.06039	37.8
91.04010	1.1
91.05484	2.9
91.62003	0.8
93.07045	2.5
95.04964	2.6
95.08617	3.8
97.02903	10.6
97.06565	1.5
97.10168	5.0
99.04464	5.3
99.08049	0.8
101.06052	1.1
103.07591	1.7
105.01879	4.0
105.07040	2.7
107.07119	1.1
107.08611	1.8
109.02890	14.1
109.10168	2.2
111.04427	2.4
117.01855	1.4
117.09122	1.6
119.04951	1.0
119.08599	0.9
121.06546	1.8
121.10204	1.4
123.04446	0.8
123.11703	1.6
125.13270	6.1
127.03930	16.7
129.01878	2.0
131.07062	1.4
131.08577	1.0
133.08614	34.5
133.10141	1.4
137.05978	3.1
141.12753	4.6
143.14325	18.5
145.04962	2.4
145.10156	0.8
147.02895	1.2
149.05972	1.4
151.07616	0.9
157.15788	1.1
159.02895	2.9
161.15359	4.8
164.07043	2.2
167.07060	2.6
175.09694	1.4
177.11229	10.1
185.08078	1.8
189.03970	1.2
191.12816	1.8
201.18497	20.6
213.04004	2.7
214.62819	0.9
221.13820	5.7
231.04930	1.9
239.14915	17.9
259.22714	11.4
279.18060	7.4
283.17529	3.5
289.09177	1.5
297.19086	12.0
323.20471	1.2
327.20032	1.0
337.22098	3.7
341.21799	1.0
355.23322	1.3
423.07547	1.2
479.35669	2.8
497.36896	28.5
498.36716	1.2
515.20880	1.1
600.38934	1.6
762.44440	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	762.448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01864	3.3
55.05267	1.7
55.05513	21.9
57.03429	4.2
57.07075	15.5
59.05004	5.8
59.39429	1.1
61.02913	3.3
67.05498	7.6
69.03432	12.1
69.07073	100.0
69.80606	6.3
70.06580	1.9
71.04994	2.4
73.02911	3.5
76.70528	1.1
79.05485	2.5
81.03424	14.8
81.07058	8.5
83.05014	2.9
83.08623	50.7
84.08154	2.1
85.02913	23.7
85.06567	1.4
86.09720	1.7
87.00837	7.4
87.04460	4.3
88.23977	1.2
89.06039	47.9
90.51797	1.3
90.98876	1.2
91.05480	3.9
93.07037	3.5
95.04962	2.8
95.08609	4.3
97.02904	9.1
97.06534	1.5
97.10140	6.4
98.21503	1.5
99.04435	5.5
103.07565	2.4
105.01863	5.4
105.07034	2.9
107.08595	2.0
108.08060	1.2
109.02878	13.1
111.04471	3.1
117.09146	1.5
119.08579	2.7
121.06495	3.5
121.10149	3.0
123.11673	2.2
125.06032	1.6
125.13278	6.7
127.03923	17.7
129.01843	1.7
131.06998	1.8
133.08609	37.9
137.05948	4.4
141.12749	4.4
143.14326	16.5
145.04930	4.9
145.10149	1.9
147.11707	2.0
149.06015	3.0
157.15880	3.3
159.02925	3.0
161.15337	4.7
164.07083	4.0
167.06979	2.3
172.95894	1.2
177.11255	10.7
189.03735	1.2
191.12749	1.7
193.56744	1.2
197.46332	1.3
201.18488	21.6
209.75250	1.3
213.03990	3.2
219.19705	1.4
221.13820	7.8
231.05028	2.1
239.14922	16.9
259.22681	11.4
271.64523	1.4
279.18076	6.2
283.17487	5.5
289.09338	2.3
297.19101	11.6
323.20569	1.8
327.20004	1.4
332.57581	1.6
337.22330	2.8
341.21649	2.5
355.23044	1.6
479.36118	7.2
497.29916	2.4
497.36877	33.6
530.37878	1.3
600.38977	2.8
762.44098	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	762.276
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.7
68.99780	1.2
69.03379	0.7
69.59959	3.4
69.60370	1.8
70.06602	1.7
71.13326	0.7
73.25008	0.7
79.05504	1.2
81.03427	3.0
81.07069	1.6
85.02919	3.0
85.06543	1.4
91.05501	2.6
93.03419	1.5
95.04982	1.6
97.02904	1.4
103.05447	1.6
105.07091	0.7
107.04964	3.4
109.02920	3.6
109.06514	0.8
111.04409	1.6
115.05439	1.0
119.04945	10.8
119.08599	0.8
121.02872	38.2
121.06480	1.8
127.03893	1.2
131.04935	1.4
133.02924	0.9
135.04482	1.4
137.06033	1.9
141.01872	0.9
143.04921	1.5
145.02864	2.5
147.04388	2.0
150.06754	1.4
151.03885	0.9
151.07547	2.7
159.04495	1.9
163.03938	1.9
165.01869	3.4
165.07030	1.9
165.09163	1.9
171.04434	1.0
175.03905	2.3
176.07051	1.0
177.01830	7.6
177.05469	1.7
178.07683	0.9
179.03442	3.6
179.08572	1.8
181.06386	1.6
183.02872	1.4
187.03928	1.6
189.01765	6.8
189.05504	1.7
189.07080	2.0
190.08664	2.8
191.03407	2.4
191.08626	1.2
192.10233	3.8
195.02902	14.1
195.08095	3.0
196.08907	0.9
197.04428	1.1
197.08305	0.8
199.03902	2.3
199.10471	0.8
202.07855	0.7
203.03389	12.2
203.08592	2.6
204.06454	1.3
205.04861	1.0
205.06516	3.9
205.08916	1.3
206.07228	1.2
207.02869	5.2
207.06349	1.1
207.08086	3.5
208.08815	4.7
209.06059	1.4
209.09711	1.1
210.09177	2.5
211.07544	2.1
212.10753	3.2
214.08536	1.1
215.03473	2.4
216.05716	1.8
216.10165	1.0
217.04915	4.0
217.06540	6.9
217.08882	3.7
218.07280	2.1
218.09610	1.1
219.08099	4.8
219.10028	0.8
220.08997	0.9
221.04474	2.6
221.09628	3.2
222.08998	2.1
223.07588	3.0
223.10011	3.1
224.08356	6.7
224.10770	2.7
225.09193	1.4
227.03453	3.5
228.10181	3.5
229.05066	1.4
230.11769	1.7
231.02919	1.9
231.08154	1.5
232.08867	29.1
233.05998	7.4
233.08389	3.2
233.09828	0.8
234.06982	1.3
234.08974	4.1
235.07727	1.3
235.09778	1.2
236.08485	1.4
236.10606	4.8
237.09068	0.8
238.10167	6.0
239.07076	1.1
239.10863	8.5
240.10184	11.3
241.11046	1.9
242.11797	2.4
243.02946	1.7
243.10155	0.9
243.12598	0.8
245.04607	1.9
247.07573	1.7
247.09927	1.7
248.08350	19.8
248.10748	8.2
249.09097	2.2
249.11554	5.3
250.08774	3.2
251.10774	19.7
252.10204	0.9
253.12323	3.5
254.09343	1.1
254.11754	16.1
255.02892	6.7
255.12509	3.6
256.13348	15.9
262.08600	1.2
263.10706	51.5
264.10083	9.7
265.08517	1.6
265.11078	3.9
266.11768	38.1
267.06647	1.9
267.12360	1.2
268.07370	1.9
268.13425	4.8
270.11200	1.0
271.12015	1.9
272.12796	1.4
273.03931	3.4
278.11795	3.0
279.06607	3.2
280.13345	57.9
281.08078	1.7
283.06000	22.2
284.06747	1.2
284.12894	1.0
286.14529	4.5
291.06683	1.3
293.08151	2.2
294.05402	1.6
295.06021	100.0
296.06592	3.7
297.07532	12.0
298.08325	1.2
305.08023	1.9
307.06042	21.7
307.09457	1.3
308.06607	2.3
309.04123	1.8
309.07498	16.4
310.07059	4.4
313.07147	1.8
317.08093	1.7
319.05963	2.5
320.06790	3.3
321.07593	29.4
322.07864	2.5
323.09183	4.5
325.07034	19.7
331.09885	1.1
333.07544	5.4
335.05283	1.9
335.09143	23.9
336.08972	1.8
337.07053	10.0
339.08969	1.0
345.07651	4.1
347.05307	0.9
347.09161	3.4
349.07059	27.7
349.11282	1.9
357.07355	1.0
359.09265	0.9
361.07101	12.7
363.08667	5.3
364.08090	1.0
367.08423	1.7
373.07053	10.4
374.07785	1.0
375.08682	3.6
376.08450	1.0
379.08145	8.2
387.08624	1.2
391.08176	19.0
397.09247	3.5
403.08035	1.5
404.19836	0.8
409.09219	7.0
410.09958	1.2
415.10129	3.5
424.10605	1.1
426.13177	2.8
427.10339	3.1
501.13419	1.3
513.13397	1.5
517.12970	1.3
529.13000	2.9
531.15234	1.0
533.16046	1.9
543.14532	1.6
545.16052	13.7
546.15558	1.8
550.18445	1.5
555.14569	1.1
557.16046	1.3
560.16974	2.6
562.18561	10.4
571.17133	1.1
574.18713	4.1
575.16895	3.2
585.19238	1.4
586.19507	1.0
587.16895	2.5
592.19397	4.6
594.21100	3.2
599.16919	5.5
602.21649	1.8
611.17468	1.0
612.22040	2.9
616.19525	10.6
623.16602	0.9
624.22412	7.8
628.19812	2.3
629.18201	2.1
630.20441	1.0
634.23615	1.5
640.19318	2.8
641.18146	5.6
642.23364	16.9
646.20587	3.6
647.18781	1.8
648.22430	8.8
658.20740	6.7
659.19281	3.6
662.23615	1.1
665.20087	1.0
666.23358	19.1
667.24048	1.1
672.22736	1.3
676.21619	12.4
677.20227	3.1
678.23059	3.1
690.22900	3.1
694.22870	36.4
695.23090	1.6
696.24664	10.7
708.24377	14.4
726.25446	69.6
727.25677	3.8
744.26538	64.3
745.26733	2.1
762.27502	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	762.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02895	0.7
65.03931	1.1
67.05485	1.7
69.03401	2.0
69.07034	1.7
69.57274	0.6
70.06570	1.1
71.04957	0.8
71.56644	0.7
73.10054	0.7
79.05454	2.2
81.03378	2.3
81.07028	2.9
83.08596	1.3
84.08105	0.9
85.02866	2.8
86.09643	0.7
89.06007	1.2
91.05477	3.3
93.03367	0.7
93.07016	1.3
95.04934	1.1
95.08610	4.3
96.08066	0.8
97.02857	1.4
97.06490	1.0
103.05453	0.9
105.07000	2.3
107.04928	1.6
107.08567	1.4
109.02831	2.3
109.10124	1.5
111.04379	1.3
111.33358	0.6
119.04946	5.1
119.08563	1.6
121.02881	14.5
121.06470	2.5
121.10094	1.0
123.04419	1.0
127.03878	2.1
131.04906	0.7
133.06461	0.8
133.10054	1.4
135.04428	1.1
136.07549	0.7
137.05951	3.2
145.02794	2.3
147.04369	1.0
150.06737	1.6
151.07492	2.5
151.14873	0.8
155.62953	0.7
159.08052	1.0
161.02266	0.7
161.05968	0.8
164.07050	1.0
165.06926	0.7
165.09106	3.7
167.07068	1.0
173.30948	0.7
175.03940	1.1
175.06245	1.3
175.14853	0.8
176.07101	0.9
177.01822	4.2
177.05405	1.3
179.03387	2.5
179.08452	1.1
181.04904	0.7
181.06465	1.0
184.07466	1.0
187.03835	0.8
189.01842	2.5
190.08641	2.0
191.03387	3.0
192.10234	2.1
193.04953	0.8
194.07439	0.8
195.02892	8.5
195.08070	1.7
196.07547	1.7
197.05989	0.8
202.08629	1.5
203.03410	4.5
204.06561	3.0
204.10083	1.4
205.04915	0.9
205.06618	1.0
206.09683	1.1
207.02870	2.6
207.08099	1.5
208.09006	1.1
209.04346	0.9
210.09193	2.7
212.06929	1.0
212.10675	1.5
214.08636	1.0
217.04897	3.0
217.06546	2.5
217.08513	1.1
219.07996	2.2
221.04379	0.8
221.08072	1.0
222.08957	6.2
223.07784	1.4
223.09912	4.8
224.06865	1.6
224.08656	1.4
224.10738	2.0
225.03896	0.8
226.08614	0.9
227.03413	1.4
227.09335	1.7
228.10207	1.9
230.11618	1.7
232.08876	8.1
233.05939	1.9
234.09094	2.9
235.07745	0.9
235.09833	0.8
236.10684	5.5
238.08603	2.1
238.10245	1.0
239.07109	1.2
239.09084	1.1
239.10789	2.1
240.10191	20.0
241.05028	1.2
241.10876	1.5
242.11832	2.0
248.08316	6.7
248.10722	3.3
249.09081	2.1
249.11534	4.5
250.08534	8.6
251.06908	1.6
251.09534	5.0
252.10135	5.6
253.04872	0.9
253.10970	1.0
254.09329	1.8
254.11783	13.6
255.06589	0.8
255.12416	3.8
256.13358	7.8
262.08664	1.6
263.10779	8.6
264.10071	10.5
265.08466	1.7
265.10980	4.1
266.11780	93.3
267.06497	1.5
267.12344	3.1
268.07297	2.7
268.13354	17.5
269.04416	1.4
269.11615	1.3
272.12933	1.2
278.11761	2.0
279.06567	2.1
280.10916	1.5
280.13391	25.5
281.08133	0.9
281.14041	1.1
282.05310	1.1
283.05994	7.3
285.07620	0.9
286.14438	1.0
295.06027	74.7
296.06696	4.9
297.07626	8.5
307.06006	10.6
308.06934	1.5
309.07590	24.9
310.07446	1.3
313.07220	1.9
319.05997	1.1
320.06772	1.1
321.07526	10.0
323.09155	2.3
325.07086	27.7
325.10953	1.7
333.07755	1.0
335.05481	0.8
335.09073	9.6
337.07056	7.3
337.10709	1.3
339.08496	4.5
347.09192	1.4
349.07095	10.2
349.10895	0.9
351.08887	1.3
355.08054	1.0
359.09232	1.7
361.06973	1.1
363.08624	3.0
367.08395	0.9
371.09100	1.0
375.08981	0.9
379.08038	4.6
389.10159	0.9
391.08081	7.6
409.09293	7.4
415.10391	1.2
423.10867	1.2
427.10205	6.0
465.12109	0.9
466.12955	1.4
477.11978	1.0
479.35339	0.9
490.13754	1.0
494.12540	1.2
506.12088	0.9
507.13422	1.2
508.13852	5.9
509.14673	4.2
514.13043	1.1
515.14758	1.1
516.14069	1.3
518.16180	1.3
520.14069	1.7
527.14911	1.6
529.13269	1.0
530.15894	1.0
532.13776	1.0
534.15454	1.6
537.14368	1.0
544.17371	2.1
545.16174	1.5
546.15814	2.2
548.17145	2.8
550.15045	2.0
560.16907	1.2
562.18567	6.1
563.19104	1.0
564.16785	2.2
567.15729	1.1
572.17871	1.0
574.18732	2.4
575.17358	1.2
576.19543	1.1
590.18359	1.9
592.19611	13.7
594.20544	2.2
604.19794	1.8
606.19550	0.8
616.19598	2.0
622.20660	9.2
624.22223	5.2
628.18927	1.0
630.21417	1.2
634.20825	1.1
642.23395	25.2
643.23920	0.9
648.21832	1.0
654.23761	2.6
658.20758	1.4
666.22888	2.6
672.23969	3.3
676.21375	7.2
677.21191	0.9
694.22870	41.0
695.23499	1.6
708.24084	2.8
712.23944	22.8
726.25415	25.7
727.25098	1.0
744.26520	80.6
745.26941	3.6
762.27588	100.0
763.27673	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	762.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
59.18312	0.9
65.03932	1.8
69.29136	9.8
79.05485	1.2
81.03410	3.4
85.02903	2.6
87.22791	1.0
91.05473	3.1
93.03371	1.6
93.75723	1.0
95.04948	1.4
96.36539	1.0
98.21598	1.9
104.57205	1.0
105.92276	1.0
107.04964	3.6
109.02866	2.4
114.08602	0.9
117.07005	1.0
119.04941	7.8
121.01994	2.0
121.02876	39.8
121.06480	2.7
137.06061	1.1
145.02831	2.8
150.06807	1.6
150.22792	1.0
151.07579	2.5
159.04343	1.7
161.02316	1.3
163.03955	1.5
165.01804	2.8
165.06992	1.6
165.09125	1.7
171.04350	1.3
175.03999	1.6
177.01830	6.8
179.03423	4.6
179.08556	2.2
181.06448	2.0
183.02914	1.5
187.03850	1.2
189.01797	6.0
189.06879	2.2
190.08679	2.1
191.03423	3.1
192.10216	3.6
195.02896	10.3
195.08035	2.7
199.03958	1.8
201.02051	1.0
202.07761	2.0
203.03430	10.3
203.08615	1.6
204.08218	1.2
205.06531	3.6
207.02922	5.2
207.08098	4.1
208.08975	6.2
209.06067	1.3
210.09157	2.7
211.07533	1.2
212.08823	1.1
212.10736	4.2
215.03375	2.1
216.05730	2.8
217.04665	5.3
217.06540	7.6
217.08920	3.8
218.07291	2.7
219.08058	5.1
221.04483	2.8
221.09662	3.5
222.08926	1.6
223.07764	2.2
223.09978	3.8
224.08348	6.1
224.10695	3.0
225.09192	2.3
227.03409	3.9
228.10263	2.8
229.04968	1.9
231.02832	1.6
232.08884	28.4
233.06248	5.3
233.08148	2.0
233.09692	2.0
234.09138	3.4
235.09850	1.1
236.08562	1.1
236.10745	4.1
238.10223	5.0
239.10779	8.7
240.10123	11.3
243.02950	1.7
243.12695	1.5
248.08327	22.9
248.10757	8.3
249.09116	2.6
249.11508	4.7
250.08624	2.6
251.10757	18.6
252.10173	2.0
253.12325	2.7
254.11757	14.4
255.02950	7.5
255.12564	3.5
256.13364	14.4
262.08688	2.2
263.10693	52.7
264.10138	11.2
265.08298	1.3
265.10980	2.4
266.08990	2.2
266.11783	35.9
267.06458	1.6
267.12305	2.1
268.07294	1.5
268.13257	2.7
271.05975	2.2
271.12119	1.4
273.03934	3.2
278.11810	1.8
279.06454	2.6
280.13330	53.6
281.08029	2.6
281.13995	2.8
283.02951	1.8
283.05994	20.8
284.06689	2.1
286.14355	4.2
293.08444	1.4
294.05350	1.3
295.06030	100.0
296.06598	4.2
297.07507	9.6
298.08301	1.7
298.14398	1.8
307.06012	21.8
308.06702	2.5
309.07541	18.1
310.07114	2.4
317.08060	2.2
319.06000	3.2
320.06750	3.0
321.07581	25.4
322.07901	2.9
323.09250	3.4
325.07086	22.4
333.07425	5.8
335.05310	2.4
335.09161	23.5
336.09277	1.4
337.06964	8.3
345.07611	4.1
347.09186	2.4
349.03043	2.1
349.07068	26.2
349.10754	1.4
351.08517	1.2
359.09027	1.3
361.07040	13.0
363.08578	5.9
373.07166	10.2
374.07785	1.5
375.08807	3.3
379.08124	5.7
391.08121	15.5
397.09204	3.1
406.09436	1.2
409.09222	7.8
415.10168	3.9
426.13531	1.8
427.10330	2.8
436.11072	1.2
450.13489	1.4
501.13287	1.4
529.13153	1.9
543.14679	2.3
545.15924	13.6
546.15216	1.2
557.15656	2.1
560.17200	2.4
562.18756	8.1
571.17389	1.7
574.18481	2.5
575.16852	2.9
592.19763	5.1
594.20941	4.3
599.17047	4.5
602.21338	1.3
611.17554	1.2
612.21930	2.2
616.19666	10.4
623.16711	1.8
624.22339	7.0
628.19598	2.4
629.17786	2.1
634.23529	1.5
640.19586	3.5
641.18451	6.2
642.23395	20.2
646.20465	3.2
648.22186	8.2
658.20892	6.4
659.18964	4.4
666.13208	1.8
666.23407	20.8
676.21637	12.5
677.20123	3.1
678.22845	4.4
690.22607	1.7
694.22766	33.7
696.24628	9.0
708.24396	14.8
726.25409	63.6
727.25232	3.9
744.26526	62.6
745.26440	2.9
762.27356	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	761.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	1.7
59.05004	0.9
67.05511	2.4
69.30760	8.3
71.08636	2.4
73.02921	1.2
79.05490	1.9
81.07059	2.2
83.41613	0.8
85.10191	1.3
87.04479	1.4
89.06068	1.8
91.05476	6.0
93.07051	1.0
106.38612	0.9
111.91628	0.8
119.04974	1.6
119.71967	0.9
124.58775	0.9
137.05956	5.6
146.10970	0.9
244.20682	1.4
262.17593	0.9
272.20157	3.4
273.20609	1.3
309.08173	1.0
364.25211	1.0
681.70807	1.0
760.52142	1.9
761.38757	100.0
761.51544	9.8
762.39117	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	762.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
56.96566	1.4
57.03438	1.1
65.84739	0.9
67.05500	2.3
68.99788	1.0
69.03423	2.1
69.07030	0.8
69.67650	4.0
70.06597	1.6
71.04988	3.7
79.05507	2.5
81.03429	3.0
81.07050	6.7
82.14133	0.9
83.04965	1.0
84.04488	1.4
84.08166	1.0
85.02915	3.1
85.06536	1.4
86.09718	1.1
89.06038	4.7
91.05491	4.6
93.03421	1.1
93.07050	2.2
95.04973	1.2
95.08617	3.9
97.02883	2.7
97.06506	1.1
98.97585	7.3
99.04444	0.9
105.03399	2.2
105.07020	3.5
107.04980	2.8
107.08595	1.7
109.02889	3.6
109.06523	0.8
109.10186	1.1
112.99145	1.4
115.05457	1.3
116.98637	2.0
117.07050	0.9
119.04955	8.6
119.08561	2.6
119.30983	0.8
121.02878	20.6
121.06496	2.8
121.10159	1.9
127.03895	1.3
131.00197	1.7
131.08589	1.3
133.06433	0.9
133.08611	3.5
133.10141	3.5
135.04388	1.3
136.07562	0.9
137.05975	3.5
143.04942	2.9
145.02919	1.8
147.04398	1.7
147.11690	2.8
149.05981	1.6
151.07547	5.9
155.14368	0.9
158.99696	3.2
159.04456	1.6
160.07593	0.9
161.05997	2.0
163.03918	1.7
163.06291	1.4
164.07146	1.5
165.01918	1.6
165.07031	1.2
165.09145	3.2
165.12770	1.7
167.07083	1.5
170.99751	1.0
173.01271	3.0
174.13234	0.9
175.03938	2.0
175.07646	3.0
175.14798	1.6
176.07040	1.6
177.00577	1.5
177.01970	4.0
177.05464	2.7
177.09265	1.1
177.11252	1.2
178.08644	14.3
179.03427	2.0
179.08514	1.4
181.06538	1.1
189.01865	4.3
190.08615	3.8
191.07033	1.0
192.10208	2.3
195.02855	7.8
195.08109	2.7
199.03951	1.9
200.10748	2.1
202.08643	1.0
203.03389	7.4
205.06657	0.9
207.02910	3.4
207.08127	2.3
208.08928	1.6
209.06029	0.9
209.09441	0.9
209.15367	2.7
210.06725	1.0
212.10692	1.0
215.03424	1.0
216.10283	3.4
217.04802	4.9
217.06767	1.8
217.08704	1.0
218.11823	0.9
221.04462	2.2
221.09727	1.5
223.07774	1.5
223.09946	3.7
224.08327	2.9
224.10431	1.1
225.09209	1.6
227.03545	1.8
227.10829	1.5
228.10237	2.6
230.11765	1.7
231.12692	1.0
232.08861	6.6
234.09297	1.6
236.10733	2.1
237.02913	1.0
238.10075	2.0
239.10861	5.7
239.14877	3.2
240.10112	2.0
242.11810	2.9
244.09746	1.1
244.99837	1.3
247.10220	1.4
248.08316	3.7
248.10785	2.1
249.09262	1.7
249.11496	2.1
251.10747	11.5
252.10248	1.4
253.12416	2.1
254.11742	7.9
255.02892	5.6
255.06541	1.3
255.10072	1.5
255.12540	1.0
256.13284	2.9
258.11111	1.0
261.02914	0.9
263.10727	8.0
264.10352	3.0
265.11078	1.3
266.11761	4.6
267.06439	1.3
268.13306	2.1
269.11749	4.9
272.12875	3.5
273.03958	2.6
274.14465	1.0
275.10474	1.1
278.14035	1.7
279.06610	1.4
280.13333	10.0
281.08673	0.8
281.11578	4.0
283.05991	8.8
284.12692	3.9
286.14432	1.8
293.07947	1.5
295.06021	100.0
296.06534	4.5
297.07632	10.5
297.19031	1.7
298.14404	3.4
301.14313	2.0
303.10248	1.2
307.06039	13.9
307.09470	1.2
308.06488	1.4
309.04132	1.9
309.07568	12.1
316.15439	5.5
317.08099	1.5
319.06143	1.6
320.06857	2.7
321.07562	22.0
321.11197	1.7
322.08102	1.7
323.09003	2.2
325.07068	17.9
330.17065	18.4
330.20764	2.6
333.07629	3.7
335.09116	18.5
337.07147	3.3
339.08734	1.6
345.07596	3.4
347.09146	3.3
349.07068	23.4
349.10703	1.5
361.07086	14.3
362.08234	1.1
363.08728	6.5
373.07022	9.1
375.08676	2.7
379.08115	16.7
387.08847	1.2
391.08154	18.2
392.08658	1.2
405.09314	1.1
409.09241	16.7
409.14655	0.8
410.10489	1.0
410.15643	1.3
411.10623	1.3
427.10159	14.3
452.16684	1.5
459.18182	0.8
461.31061	1.4
479.32007	3.7
511.05829	1.4
512.18835	1.1
520.13922	0.9
545.15857	3.1
546.15875	0.9
560.17572	1.0
562.18433	3.1
574.18939	2.4
610.20483	1.5
612.22186	8.9
617.18658	1.0
620.23486	1.1
624.22363	1.6
641.18115	1.5
642.13544	1.5
642.23352	20.8
652.24762	1.3
658.20557	2.8
666.11932	1.5
666.23297	26.7
676.20605	2.1
678.22510	1.2
690.22906	1.6
694.22394	2.3
696.24396	10.3
708.24341	5.2
712.23517	1.6
726.25433	31.1
727.25250	2.4
744.26501	83.7
745.26068	3.8
762.26758	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	760.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.7
55.05506	2.4
57.03439	1.6
57.07078	100.0
59.05004	28.6
60.56524	0.6
67.05522	1.4
69.07076	2.3
71.08634	70.4
71.21367	1.4
73.06553	1.1
79.05521	1.6
81.07066	2.7
82.07416	0.7
83.08642	2.3
85.06542	0.9
85.10184	58.8
86.10532	0.8
87.04467	7.9
88.59983	0.6
89.06033	43.5
91.05503	2.1
91.87470	0.6
93.07082	0.8
95.08611	1.0
97.10184	2.7
99.11738	11.2
101.05984	0.7
101.09659	4.1
103.07631	0.9
107.07030	0.8
109.10190	0.7
111.11720	0.9
113.13279	3.0
117.09136	9.5
119.10725	0.7
121.10172	0.9
124.30730	0.7
130.08670	1.4
131.07104	2.3
133.08606	34.3
137.06044	1.6
147.10193	0.9
155.17946	8.7
156.63292	0.6
170.37930	0.6
175.09750	1.9
177.11226	15.8
177.12671	0.9
213.22148	17.9
219.12321	1.0
221.13844	3.7
239.15102	1.0
248.98547	0.6
254.24878	2.2
265.16461	1.0
271.26315	17.5
271.29065	1.1
272.20203	2.2
283.17697	0.9
327.20303	1.7
329.30658	0.8
364.24918	0.7
371.22949	1.4
397.24423	0.8
415.25308	10.4
455.28729	1.8
473.29761	2.7
505.38318	1.3
531.34027	0.7
547.33508	1.1
562.42383	0.8
563.42151	1.1
619.06726	0.8
703.49225	0.7
760.39581	3.2
760.59204	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	760.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.7
57.03435	1.6
57.07077	100.0
58.07396	1.0
58.98248	0.7
59.05004	32.9
67.05497	2.1
69.07059	3.6
71.08635	73.1
71.55312	1.6
71.55705	0.9
73.02917	0.9
73.06557	1.3
79.05494	1.3
81.07060	4.1
81.87032	0.7
83.08610	2.3
85.10187	60.6
87.04473	8.1
89.06037	45.2
91.05484	4.8
93.07024	1.9
97.10162	3.4
99.08061	0.9
99.11739	11.9
100.07616	1.4
101.06017	1.0
101.09639	3.3
103.07565	1.3
113.13275	4.4
117.09127	10.3
119.04963	1.2
130.08594	1.0
131.07068	2.3
133.08614	36.5
137.05965	2.3
155.17950	10.0
169.97707	0.8
175.09708	2.7
177.11226	13.0
213.22142	19.1
221.13872	2.5
254.24873	1.2
257.24854	0.9
265.16339	1.2
271.26328	18.4
272.20123	3.4
283.17499	1.1
309.19165	1.1
327.20267	2.3
344.34680	0.8
371.22836	1.1
383.60754	0.8
415.25369	10.4
455.28387	1.5
473.29324	1.8
505.37891	1.0
547.33783	0.9
562.42139	1.1
563.41736	2.5
581.41241	0.9
644.34399	0.8
760.39532	4.9
760.55023	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	760.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05511	2.1
56.55265	0.4
57.03418	1.5
57.07067	0.6
65.03944	3.6
67.05186	0.5
67.05508	7.2
69.07069	1.9
70.07558	0.7
70.07956	0.7
71.04994	0.4
71.08622	0.5
79.05511	5.0
81.03408	0.6
81.07066	7.7
81.83652	0.4
83.04990	0.6
83.08633	0.5
83.58402	0.5
85.02913	0.8
85.06487	0.4
87.04436	0.5
89.06017	0.6
91.05486	48.0
92.05849	0.4
93.07052	4.4
95.04946	0.5
95.08610	5.1
97.10173	0.6
98.21468	0.6
105.07024	2.1
106.06569	2.7
107.08571	1.8
109.06544	2.1
109.10175	2.4
117.05764	0.9
118.06563	6.8
119.04952	18.6
119.08564	1.4
121.10145	1.8
121.18514	0.4
123.11745	0.7
128.31369	0.4
129.06998	0.6
130.06572	0.8
131.07300	3.3
131.08536	1.2
132.08084	3.2
133.08743	1.4
133.10118	0.9
133.57368	0.4
134.09653	1.0
135.11705	0.9
136.13094	0.4
137.05983	52.9
140.98645	0.4
144.08081	0.5
145.08861	0.4
145.10075	0.5
146.09656	3.6
147.11702	0.7
148.11205	0.5
160.11226	4.9
162.12730	0.5
172.11168	1.2
174.12828	0.8
188.14314	0.5
199.16908	0.7
213.18573	0.7
243.15878	0.8
244.20656	4.9
247.83044	0.4
249.95383	0.5
261.22089	0.5
272.20099	58.2
273.20541	0.6
280.46472	0.5
285.17062	1.6
290.21146	16.4
303.17725	0.8
335.25769	3.8
336.26514	0.5
346.23788	7.3
364.24869	9.9
426.26395	13.7
482.29034	2.3
503.36832	0.5
545.38190	1.4
563.39130	1.3
606.45197	1.1
624.46521	1.7
760.51483	100.0
761.52112	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	760.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.0
55.01874	4.3
55.05264	2.0
55.05513	22.6
57.03442	19.5
57.07084	6.3
61.02908	3.1
65.03941	4.9
67.05511	76.6
69.03439	6.7
69.07072	18.3
71.05005	3.4
71.08632	3.4
71.56187	1.1
73.02908	1.7
77.03925	1.4
79.05498	51.6
80.05814	1.7
81.03423	98.8
81.07063	69.6
83.04986	6.2
83.08627	24.7
85.02928	6.3
85.06544	3.8
85.10238	1.8
86.09722	2.8
86.96730	1.3
87.04446	1.4
89.06048	1.7
90.50224	1.1
91.03983	1.7
91.05483	45.2
93.07050	59.9
94.07339	1.7
95.04978	31.3
95.08613	57.8
97.02894	6.5
97.06540	7.1
97.10174	8.2
99.08076	2.0
103.05466	1.1
105.04523	1.6
105.07034	35.2
106.91496	1.2
107.04959	8.6
107.08604	33.3
109.06553	6.0
109.10165	26.4
111.08093	9.9
115.05474	2.0
117.07029	8.8
119.04914	1.6
119.08586	32.5
121.06521	5.5
121.10149	26.5
123.04388	1.6
123.08084	5.1
123.11726	7.7
124.99993	1.6
125.09634	5.4
128.06190	1.7
129.07013	11.4
129.75523	1.2
131.08585	26.0
133.06511	2.8
133.10141	20.4
135.08080	1.6
135.11700	18.4
137.05988	3.3
137.09683	2.0
137.13307	1.8
141.06958	2.1
142.07799	3.3
143.08569	4.7
145.06509	1.5
145.10129	15.4
147.08090	5.0
147.11700	20.6
149.09668	6.9
149.13272	9.7
155.08606	2.2
157.10120	13.9
159.11668	9.1
161.13278	7.5
163.11234	3.1
163.14853	4.2
165.12752	4.6
169.10179	2.0
171.11703	4.1
173.13187	8.0
175.11177	10.3
175.14853	3.5
177.12863	1.6
177.16438	1.4
178.39403	1.3
184.07388	11.6
185.13284	2.2
187.14856	3.2
189.11240	4.3
191.10638	1.3
193.12277	22.8
197.13286	1.7
199.14774	2.0
199.16647	1.2
211.13350	2.3
213.16402	1.3
227.12869	6.7
235.13306	1.2
243.21066	6.9
249.14967	2.0
259.13348	1.6
259.20493	2.5
261.22141	19.2
267.15933	100.0
268.16302	2.2
272.20163	3.5
273.14789	2.3
277.21729	1.5
285.16742	1.6
285.22168	1.3
295.22726	1.5
299.23422	2.0
301.25208	5.9
303.23407	1.5
309.16998	2.4
317.24893	1.9
333.24426	2.3
335.25827	93.3
336.26205	2.3
359.26089	1.4
417.31683	1.5
421.25992	1.6
434.44351	1.5
435.27539	1.9
435.32413	5.8
453.33740	9.1
466.21390	2.5
471.34955	5.9
509.36459	2.3
527.37354	62.4
528.37646	2.5
545.38367	62.0
546.38947	2.9
563.39075	5.7
569.38354	4.4
635.39478	1.6
671.41406	1.5
760.42743	36.5
761.41895	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01880	1.5
55.05264	1.2
55.05517	16.1
57.03443	6.2
57.07072	2.5
59.05001	1.2
61.02933	3.9
65.03939	2.3
67.05508	71.4
68.42879	0.6
69.03429	1.9
69.07071	13.5
69.59529	2.3
69.59930	1.1
71.04996	22.1
71.08595	0.6
73.02904	1.7
73.06556	0.8
79.05495	35.2
81.03429	1.6
81.07059	100.0
82.07394	0.7
83.04974	3.3
83.08628	9.9
83.29750	0.7
85.02919	1.9
85.06549	9.3
87.04466	0.8
91.03981	1.0
91.05482	29.5
93.07047	38.7
95.04990	2.6
95.08611	28.3
97.02922	2.1
97.06540	5.4
97.10168	3.0
99.08099	1.6
105.04546	0.9
105.06380	1.3
105.07042	17.5
107.08599	20.6
109.06535	2.7
109.10162	12.5
109.78201	0.6
111.08098	2.0
113.09686	0.7
117.07001	5.3
119.08590	8.2
121.10142	17.2
123.08127	1.4
123.11716	13.3
125.09637	0.9
129.06999	1.1
131.08568	9.0
133.10136	21.5
135.11688	11.5
145.10112	5.5
147.11703	4.4
149.09581	0.8
149.13264	6.6
151.11165	7.7
153.12750	1.3
159.11717	6.7
161.13281	2.9
169.12219	1.6
171.11627	0.9
173.13292	2.6
175.14848	1.0
177.12766	1.9
183.13837	2.6
185.13225	0.8
187.13326	4.3
187.14891	1.9
195.13861	1.8
200.63728	0.6
201.14879	1.5
227.16498	2.8
243.15967	1.1
253.18063	0.8
257.17633	2.0
259.20749	1.0
261.22217	2.5
269.17450	6.3
289.25311	0.8
301.20117	19.6
317.24664	0.8
335.25787	24.1
411.32458	1.4
429.33768	1.0
437.34268	1.1
455.35309	0.8
485.36594	3.5
503.37326	92.0
504.37720	3.7
511.38223	0.9
517.38995	3.6
529.38849	16.7
547.40021	1.0
561.41516	95.1
562.41809	3.2
705.44617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.4
53.57920	1.0
53.96715	1.2
55.01873	8.2
55.05265	1.6
55.05513	16.3
57.03439	11.5
57.07059	2.0
61.02916	3.9
65.03936	3.4
67.05508	73.3
69.03429	3.5
69.07072	14.8
69.23904	8.6
69.24318	2.8
71.05000	5.1
71.08605	1.3
73.02909	2.3
79.05499	55.5
79.05963	2.8
80.05826	1.2
81.03425	11.8
81.07060	69.0
83.04982	20.7
83.08615	8.0
85.02919	6.5
85.06541	4.6
91.03949	1.3
91.05482	33.3
93.07048	66.7
95.01297	1.6
95.04975	14.8
95.08612	38.0
97.02888	3.3
97.06542	15.3
97.10168	2.8
98.20773	2.3
99.04457	4.5
99.08104	2.4
105.07043	20.8
107.04965	32.9
107.08592	30.9
107.09293	2.3
109.06512	4.6
109.10168	19.2
111.04444	30.6
111.08070	8.2
117.07016	17.4
119.08592	26.2
121.06532	6.5
121.10146	47.4
123.04430	1.5
123.08072	2.6
123.11705	4.1
125.05956	2.9
125.09653	2.5
127.03900	1.2
128.06277	1.8
129.07030	6.7
130.07729	2.2
131.04916	3.1
131.08577	21.6
133.10141	11.4
135.08046	3.0
135.11699	37.8
137.09624	2.1
137.13223	1.6
143.08575	4.3
145.06465	7.4
145.10127	45.8
147.08057	3.1
147.11667	8.0
149.09637	6.5
149.13266	5.2
151.14818	1.3
153.12750	17.4
155.08566	10.7
157.10069	1.9
159.11713	6.7
159.12834	1.3
161.13284	4.5
163.11191	45.2
163.14836	3.2
165.09090	1.9
169.10120	1.7
171.11687	3.0
173.09639	27.9
173.13283	4.8
175.11232	1.4
177.16724	1.1
181.12241	23.2
184.07530	1.3
185.13219	1.6
187.14801	1.9
191.10678	22.2
197.13245	2.3
209.11716	10.6
220.88181	1.3
227.12787	18.0
243.21141	4.3
243.51572	1.2
261.22165	19.3
265.14362	50.0
267.15839	3.6
277.21747	2.0
279.23212	1.8
281.13773	1.8
283.15405	96.7
284.15683	1.8
301.16470	100.0
302.16846	2.0
313.21524	1.4
317.24866	3.0
335.25809	65.4
336.25961	1.6
337.78717	1.3
353.26825	1.6
361.23828	2.4
373.85574	1.3
423.32343	2.5
432.60577	1.3
433.30630	1.7
451.31863	4.9
459.34207	1.2
469.33221	4.9
487.34375	1.8
515.37494	10.7
525.35785	17.4
526.35809	1.2
543.36853	47.7
544.36572	1.7
561.37848	58.9
562.38104	1.9
579.38434	2.1
583.21594	1.5
653.51801	1.3
662.35583	1.6
758.42047	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	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.6
55.05502	12.9
57.03431	8.9
57.78627	2.5
61.02925	3.4
65.03930	2.4
67.05179	3.1
67.05510	52.0
69.06768	2.2
69.07072	21.7
71.05000	3.9
76.43661	2.3
79.05497	41.6
81.07063	100.0
82.75535	2.7
83.04976	5.9
83.08612	12.2
85.02895	4.4
85.06551	5.3
86.09699	7.2
91.05486	56.6
93.07041	51.8
95.04970	4.6
95.08617	30.6
97.06519	9.4
97.10227	2.4
99.08085	6.4
101.06033	3.0
104.10779	2.9
105.07040	67.7
107.08594	34.0
108.85934	2.7
109.06542	5.0
109.10127	9.9
117.07010	10.6
119.08589	67.8
121.06474	3.0
121.10149	34.6
123.11723	31.6
124.40027	2.3
125.09660	2.2
126.95559	2.3
127.07533	3.4
129.07010	7.7
131.08571	18.7
133.10138	35.3
135.11726	12.4
137.13208	2.4
143.08540	6.7
145.10101	13.4
147.11699	96.0
149.09666	4.4
149.13252	8.0
157.10141	9.1
159.11642	13.5
161.13255	19.4
165.12769	30.9
171.11636	5.3
173.13287	7.5
175.14813	9.4
183.11876	3.5
183.13768	2.9
183.95760	2.3
184.07365	11.0
185.13248	7.8
187.14847	2.8
229.14281	8.0
231.21068	6.2
234.76350	2.7
241.19527	25.2
259.20575	71.4
262.17953	3.7
267.15909	51.2
277.21628	9.9
285.16980	87.8
315.23087	4.3
333.24261	71.6
351.25250	11.0
354.54068	2.4
451.32190	3.1
469.32886	4.0
525.35925	13.4
543.36810	41.9
561.37927	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	758.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.2
55.01860	0.2
55.05521	0.6
57.03431	0.7
61.02936	1.4
65.03947	3.0
67.05479	0.5
69.03423	1.1
69.07066	0.6
69.59520	1.7
71.01372	0.3
73.02927	1.9
79.05492	0.4
81.03425	0.5
81.07055	1.1
85.02927	1.7
91.03946	1.0
91.05487	45.8
97.02885	1.8
98.20836	0.4
99.04488	0.3
101.02377	0.4
101.81416	0.2
105.07061	0.3
107.05010	0.2
107.07345	0.4
109.02859	0.2
109.06525	1.8
117.05731	0.3
118.06548	2.0
119.04954	22.3
120.08194	0.3
125.23629	0.3
127.03914	0.4
130.06543	1.3
131.07347	0.7
132.08083	2.2
133.08896	0.7
137.05988	45.3
138.06294	0.3
144.08110	0.9
145.08942	0.4
146.09624	1.4
158.09686	0.4
160.11299	0.3
164.38789	0.3
172.11200	0.4
174.12830	0.3
186.12798	0.4
200.14256	0.3
202.15976	0.7
214.16023	0.4
219.77324	0.2
228.17601	0.8
230.15463	0.5
256.17056	1.3
258.18753	0.3
312.26822	0.7
324.26920	3.4
340.26321	5.8
356.26047	0.3
358.27335	0.7
368.25873	19.2
374.27216	0.3
379.85239	0.3
386.26895	12.4
404.27991	5.1
442.29544	6.1
460.30618	33.1
461.30988	0.8
540.33447	1.5
550.16174	0.3
596.35553	2.5
622.35986	0.6
742.65497	0.3
758.41095	100.0
759.41589	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	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	9.2
55.01871	10.9
55.05515	18.4
57.03440	16.3
57.07070	3.1
61.02925	6.0
62.82383	1.4
65.03938	6.3
67.05507	93.0
69.03428	3.0
69.07064	21.1
69.53820	9.5
70.06582	1.8
71.05003	5.1
73.02950	3.5
73.03529	1.6
79.05494	79.0
81.03409	11.7
81.07059	74.6
82.07379	1.6
82.30178	1.4
83.04984	20.9
83.08636	10.9
85.02911	6.8
85.06557	7.2
91.03983	2.3
91.05483	45.7
93.07047	74.0
94.07404	1.6
95.01349	1.4
95.04985	16.1
95.08608	48.1
97.02891	2.8
97.06527	13.3
97.10164	2.9
98.20754	3.0
99.04473	1.9
99.08065	2.5
105.04539	2.6
105.07038	28.0
107.04289	1.0
107.04957	38.3
107.08604	41.3
109.06509	5.6
109.10156	20.0
111.04440	24.6
111.08100	8.1
111.11700	1.9
117.07027	22.2
119.08576	26.9
121.06513	6.6
121.10144	49.4
123.04464	1.5
123.08081	4.4
123.11719	5.7
125.05988	4.4
128.06174	1.7
129.07002	6.8
130.07828	2.2
131.04907	3.9
131.08580	21.2
133.10097	12.3
135.08089	2.4
135.11708	39.3
137.09689	1.9
143.08537	2.2
145.06503	11.7
145.10126	48.1
147.08022	3.3
147.11693	13.0
149.09637	7.3
149.13278	6.2
153.12741	13.0
155.08548	15.1
157.10162	1.8
159.11697	7.0
161.13277	4.6
163.11180	45.3
163.14835	2.4
165.12718	1.7
171.11703	2.3
173.09645	24.6
173.13292	6.8
175.14828	2.1
181.12238	18.1
185.13196	1.9
185.47928	1.5
187.14798	4.7
191.10657	18.7
209.11685	11.7
209.13304	1.3
227.12762	15.9
243.21208	3.8
259.20709	1.8
261.22162	21.2
265.14383	37.6
267.15900	6.0
276.15558	1.8
279.22946	2.1
283.15396	86.4
301.16467	59.0
305.21146	2.0
312.00803	1.6
317.24817	3.9
335.25800	98.0
336.26135	3.3
423.32602	2.0
433.31253	3.1
451.32135	3.7
465.20578	2.6
469.33118	4.7
515.37677	8.1
524.22351	1.7
525.36047	15.7
543.36847	64.3
561.37878	100.0
562.37732	3.5
744.59985	1.9
758.44366	2.3
759.42749	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	758.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86935	0.2
57.03434	0.5
61.02937	2.2
65.03947	3.4
66.19554	0.2
69.03435	1.8
69.07056	0.4
69.38641	1.8
70.03561	0.2
71.04955	0.3
73.02918	1.9
79.05499	0.6
81.03394	0.4
81.07063	1.5
85.02905	2.1
89.16441	0.2
91.04002	1.2
91.05486	43.2
95.08617	0.3
97.02901	1.8
99.04443	0.3
99.18473	0.3
101.02377	0.4
107.07365	0.7
109.02864	0.3
109.06522	1.9
118.06545	1.7
119.04951	20.9
119.22225	0.3
120.08126	0.6
127.03931	0.5
128.28879	0.3
130.06523	1.1
131.07281	0.6
132.08070	1.6
133.08893	0.4
134.09627	0.3
137.05984	45.1
138.06352	0.3
139.89716	0.2
144.08098	0.8
145.08928	0.3
146.09654	1.1
158.09711	0.5
160.11217	0.5
172.11252	0.3
183.14044	0.2
186.12921	0.4
194.89380	0.2
202.15996	0.4
207.09894	0.2
209.13474	0.2
210.28885	0.2
228.17561	0.3
230.15527	0.5
242.19164	0.3
250.58954	0.3
256.17056	1.0
258.18512	0.3
312.26926	0.6
324.26865	3.4
333.50427	0.2
340.26382	5.4
358.27399	1.3
368.25873	18.9
369.26288	0.4
374.27023	0.4
386.26871	12.5
387.27640	0.4
404.27936	4.8
404.32831	0.4
442.29587	5.8
460.30615	34.2
461.30820	1.2
540.33301	2.1
596.36023	2.3
622.36035	0.5
758.41101	100.0
759.28784	0.5
759.41467	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	757.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01871	5.8
55.05297	1.6
55.05517	15.6
57.03429	5.5
57.07087	11.0
60.14896	1.1
61.02922	4.9
66.33278	1.2
67.05162	2.4
67.05507	27.1
68.99792	3.0
69.03432	28.4
69.07072	48.8
70.06596	2.6
71.04992	5.0
71.08627	5.9
73.02916	5.4
77.03935	1.4
79.05498	10.7
81.03426	19.8
81.07062	94.1
83.04988	2.5
83.08626	27.4
85.02908	58.6
85.06548	10.9
85.10145	2.0
87.00835	26.5
91.03969	2.0
91.05505	8.3
93.07051	16.5
95.04983	3.6
95.08613	100.0
97.02892	24.4
97.06535	2.8
97.10184	19.5
99.04472	10.5
99.08114	8.4
105.01871	34.5
105.07033	7.5
107.04959	1.9
107.08606	18.6
109.02890	22.4
109.06547	3.2
109.10161	62.0
111.04456	3.5
111.08109	2.5
111.11729	18.4
115.03926	2.2
115.11255	1.4
117.01824	2.4
117.07016	2.6
119.08594	8.9
121.06569	2.8
121.10162	15.2
123.04484	1.9
123.08060	2.0
123.11712	34.2
125.13291	9.7
127.03925	50.9
127.11170	1.8
129.01863	1.7
129.06995	1.5
129.12773	2.8
131.08588	3.5
133.10123	6.8
135.11697	11.9
137.06009	3.1
137.09587	1.9
137.13255	18.8
139.14792	3.1
143.08560	1.4
143.14311	5.5
145.04970	14.1
145.10144	4.6
147.08061	1.8
147.11696	5.0
149.09631	2.1
149.13274	25.3
151.14830	21.5
153.05492	1.4
155.14310	1.9
157.10208	3.2
157.15891	1.7
159.02856	8.4
159.11694	4.0
161.13283	2.9
161.81000	1.3
163.14810	11.2
165.09137	2.2
165.16402	12.1
167.07039	1.9
169.15862	1.8
175.07588	1.5
175.11209	1.6
177.09100	2.0
177.16348	3.0
179.17909	6.7
183.17522	3.9
185.13330	2.2
187.11169	1.4
189.09143	1.7
189.16237	1.6
191.17960	3.6
193.19600	3.2
197.19051	2.8
201.16322	1.6
205.19534	2.5
207.21230	1.7
211.20560	3.1
213.03897	2.8
217.66394	1.3
219.21071	5.3
231.04979	15.9
235.24290	1.8
237.22192	2.1
249.06111	6.1
249.25812	7.0
255.06554	2.4
267.26865	7.8
269.15921	1.6
275.27338	16.0
281.28494	2.1
291.26746	2.2
293.28391	49.4
303.27029	1.6
305.28421	3.4
311.29474	52.0
315.27036	2.1
317.28433	3.2
321.27811	1.4
329.30453	4.9
333.27673	1.8
335.29376	3.5
359.29459	2.1
371.29492	2.7
377.30472	2.5
383.29550	7.2
389.30594	1.5
401.30707	10.0
419.31622	3.8
437.32574	1.9
443.57016	1.3
479.33499	2.3
487.30493	4.3
505.31540	11.6
523.32721	8.9
541.33539	4.6
632.22253	1.4
720.72485	1.7
758.41425	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
60.20381	0.9
60.64391	0.7
61.02938	1.0
61.41477	0.8
62.47842	0.7
67.05505	2.2
69.07076	0.8
69.49360	6.0
69.52988	0.7
70.06589	3.5
71.04969	1.0
79.05505	1.2
81.07058	1.5
83.01105	0.8
85.02905	1.5
86.09690	1.6
91.05495	1.0
93.07066	1.7
105.07052	1.4
107.08612	1.3
109.10179	1.3
111.04210	0.8
127.03790	0.9
137.06035	1.0
161.09601	1.1
171.06352	1.7
382.52011	0.8
389.63058	0.8
393.72769	0.8
472.14774	0.9
485.34735	1.8
501.34326	3.7
503.35538	10.7
531.35010	16.9
545.36835	2.2
647.39795	16.0
653.11865	0.8
665.40833	45.3
666.41345	1.6
707.41882	66.1
708.42053	2.9
751.40851	100.0
752.41846	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	751.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61375	0.6
55.01854	0.7
55.05510	0.8
61.02951	0.7
67.05497	1.1
69.07050	0.6
70.06599	1.4
71.09898	1.1
78.69441	0.5
79.05515	0.9
81.07046	1.5
83.01128	1.0
85.02904	1.1
91.05499	1.3
93.07028	0.9
95.04917	0.6
95.08607	1.1
97.02924	0.7
97.53042	0.6
104.00775	0.6
105.06992	0.6
111.04234	0.8
121.10195	0.6
123.04566	0.6
127.03719	2.1
129.10216	0.6
151.06198	0.6
155.06882	0.9
171.06367	1.7
219.17934	0.6
229.10504	0.9
266.51349	0.5
315.43234	0.6
328.69324	0.6
415.26791	1.1
429.28223	1.2
443.29880	2.1
485.34399	2.9
501.34131	4.0
503.35919	8.7
531.35065	14.6
545.36536	2.1
592.96796	0.7
647.39777	15.5
665.40839	45.4
666.41187	1.2
686.93616	0.7
707.41876	63.9
708.41956	2.0
751.40820	100.0
752.40668	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	755.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01868	5.9
55.05517	18.1
57.03428	6.6
57.07078	14.1
57.19825	1.6
61.02912	4.7
65.03922	1.8
65.81474	1.4
67.05506	40.2
68.99805	2.1
69.03434	21.7
69.06731	2.8
69.07073	35.5
70.06561	2.4
70.07082	5.8
71.04981	5.1
71.08640	10.6
73.02910	2.7
79.05496	24.1
81.03426	21.6
81.07063	100.0
83.04978	1.9
83.08613	25.6
85.02908	49.8
85.03420	2.4
85.06545	7.8
85.10179	5.6
87.00831	23.3
91.03960	1.9
91.05479	14.9
93.07047	46.3
95.04976	6.1
95.08612	89.2
96.09579	1.3
97.02898	19.5
97.06539	2.4
97.10173	16.7
98.21426	2.2
99.04454	8.8
99.08063	1.7
99.11769	1.6
105.01865	21.4
105.07045	30.5
107.08596	33.7
109.02892	26.3
109.06500	4.3
109.10165	60.2
109.10928	3.0
110.63420	1.5
111.04414	2.0
111.08089	3.3
111.11710	11.7
117.07028	2.2
119.08588	27.5
121.06504	2.2
121.10146	33.3
123.08061	5.1
123.11713	24.2
125.09633	3.3
125.13240	4.3
127.03925	37.7
129.01842	2.0
131.08565	1.8
133.10133	32.4
135.11707	29.1
137.06035	3.6
137.09581	7.2
137.13289	13.2
139.11115	2.2
143.08524	2.2
145.04990	9.9
145.10110	3.1
147.11691	23.4
149.13268	38.9
151.11188	2.9
151.14813	6.6
155.04413	1.6
155.10684	4.2
157.10074	2.1
159.02905	4.3
159.11728	1.4
159.71547	1.7
161.13258	12.0
163.14845	16.6
165.12744	6.7
165.16446	3.9
171.94421	1.7
174.81775	1.6
175.14841	9.2
177.16345	7.6
179.17964	3.8
183.17477	1.6
189.03976	2.0
189.16379	11.2
191.17966	6.3
193.19478	1.5
203.17966	5.4
205.19522	3.0
213.03883	3.9
217.19533	8.2
231.05011	10.9
231.21037	2.5
237.02808	1.7
247.24271	5.6
249.06137	3.0
255.06335	1.4
261.25735	5.4
265.25262	2.9
273.25781	52.5
274.26001	2.5
279.26797	24.0
289.25110	2.6
291.26837	68.8
292.27237	1.9
297.27859	7.3
309.27899	64.4
327.28922	11.2
369.27856	1.6
377.62180	1.6
381.27914	1.9
399.29001	3.1
479.80389	1.8
503.30212	2.4
509.30722	2.1
521.31189	5.6
539.32214	3.2
593.34729	4.1
755.39331	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	750.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
66.87112	0.2
70.87733	0.2
70.88066	0.4
79.05475	0.2
80.21630	0.2
82.06557	0.2
83.08626	1.2
84.08163	0.2
91.05487	1.5
93.90249	0.2
100.07607	0.3
100.11256	7.6
109.67812	0.2
110.06011	0.3
111.04434	0.6
112.07591	0.3
117.13860	0.2
119.04916	0.7
122.90353	0.2
126.09132	0.2
127.08653	0.2
128.07062	0.4
130.06537	0.3
135.04498	0.2
137.79984	0.1
139.08624	0.7
145.05234	0.3
147.04311	0.3
149.05974	1.9
151.03967	0.2
152.06256	0.2
165.07001	1.3
166.07770	0.2
167.07228	0.2
174.05489	0.8
175.06296	1.5
178.07759	0.6
179.07201	0.3
179.08568	1.9
180.07994	0.4
182.15421	2.6
187.06282	0.4
189.07011	0.3
190.07797	0.6
191.08562	10.3
192.08069	0.4
193.06493	0.6
193.08765	2.0
193.10074	0.2
194.09607	0.2
200.07013	0.5
203.08571	0.5
205.06465	0.3
206.09657	1.3
207.08174	1.9
208.07910	0.4
208.11221	11.8
209.11816	0.2
209.14583	0.4
209.16492	4.3
210.12907	0.1
210.14864	3.9
211.06245	0.4
213.07831	0.4
218.07350	0.3
218.09657	0.4
219.08066	7.8
221.08151	0.8
223.07545	0.8
223.09601	0.2
224.06944	1.1
226.08698	0.5
226.19107	1.5
227.09406	0.5
228.15952	0.4
229.07635	0.3
234.09065	0.9
235.09975	0.3
236.06906	0.4
236.10709	11.2
237.07829	6.5
237.10507	0.3
238.08647	0.7
238.12167	0.2
249.09128	7.8
250.08601	2.3
251.09410	4.9
264.10220	6.0
265.10867	0.7
266.11761	100.0
267.12140	2.0
298.14380	71.2
299.14682	1.5
308.26895	0.3
326.28073	0.8
335.24509	0.3
336.22836	0.8
396.81747	0.2
435.33328	3.5
453.34381	34.5
454.34637	1.3
477.84500	0.2
487.81378	0.2
543.08783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.5
57.07080	37.3
58.40889	0.5
59.05004	15.5
59.33950	0.5
67.05515	0.8
69.07083	2.4
70.75164	0.7
70.75501	1.1
71.08636	64.3
73.02918	2.0
73.06555	4.8
79.05489	0.7
81.07079	0.7
83.08641	1.3
85.10188	34.2
86.09715	2.2
87.04482	17.7
87.04987	0.5
89.06038	100.0
91.05478	0.6
97.10196	0.8
103.07598	7.1
107.07077	2.1
113.06001	0.7
117.09135	4.5
119.08588	0.7
125.00053	1.2
127.14838	3.4
130.08652	2.7
131.07048	6.7
133.08612	75.9
135.10207	0.9
141.16379	0.7
157.08638	0.8
161.11717	1.1
161.19078	0.4
175.09653	6.3
177.11238	32.0
179.12741	0.8
184.07373	5.9
185.19029	6.1
219.12296	2.0
221.13824	6.6
223.15331	0.7
226.21625	0.6
229.21692	5.7
239.14938	1.8
258.23727	0.5
263.15033	0.5
265.16418	1.8
267.18027	0.8
273.24240	0.7
283.17548	2.4
309.19040	2.5
327.20062	1.2
353.21652	1.4
371.22699	0.9
397.24216	0.7
427.22815	0.6
440.10849	0.6
441.26910	0.8
459.27820	0.9
503.30331	1.5
529.31805	0.7
547.33417	5.8
587.36298	2.3
731.51703	2.3
748.54321	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41787	0.1
57.03450	0.1
60.18734	0.1
61.02929	1.7
65.03938	0.1
66.38607	0.1
67.01866	0.6
67.05499	0.1
68.99789	0.4
69.03408	0.1
69.07060	0.1
70.06592	0.1
70.08730	0.3
71.01326	0.1
76.36810	0.1
77.95628	0.1
81.03429	0.1
81.07070	0.1
82.53411	0.1
85.02911	0.9
85.77615	0.1
86.09698	0.1
87.24785	0.1
91.05479	0.7
95.01356	0.3
95.08612	0.1
96.62206	0.1
97.02884	0.3
98.21414	0.1
98.82823	0.1
98.97576	0.1
107.08665	0.1
109.02880	0.1
113.02378	0.2
117.07037	0.1
119.04952	1.9
121.02874	0.8
121.04985	0.1
127.03931	0.1
129.01836	0.2
131.04922	0.1
133.10159	0.1
137.02391	0.1
137.05983	0.1
141.01839	1.0
141.06886	0.1
145.02843	0.8
149.13371	0.1
153.01836	5.3
155.03436	0.1
157.06508	0.1
163.03960	0.5
166.77367	0.1
167.07094	0.1
169.06601	0.1
171.02913	0.7
175.07562	0.1
177.05498	0.1
183.02928	0.4
187.03920	0.2
197.06041	0.1
201.03958	0.2
203.07076	0.3
211.03897	0.1
225.05498	0.4
229.04832	0.3
243.04988	0.4
243.06908	0.2
244.89790	0.1
247.06067	0.2
253.04996	0.1
255.06493	0.1
270.05066	0.1
271.06015	100.0
272.06342	1.6
283.06021	0.3
295.06085	0.1
303.06921	0.1
309.07642	0.1
309.18991	0.1
313.07224	0.1
349.07123	0.1
411.07166	0.1
447.09195	1.7
707.14093	0.1
748.34955	0.1
749.14990	0.6
749.27789	0.1
749.32123	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	749.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05512	1.7
57.03440	1.7
57.07070	0.9
59.04989	0.5
61.02925	5.1
61.89910	0.3
65.03931	0.4
67.05513	4.4
69.03429	3.2
69.07084	1.8
71.01373	0.5
71.04986	0.7
71.08620	0.9
71.44025	0.4
73.02921	4.6
79.05486	2.4
81.03410	1.6
81.07068	4.1
83.04969	0.7
83.08607	1.6
85.02908	5.7
85.10205	0.5
87.04464	0.6
89.06046	0.5
91.03947	3.8
91.05492	1.5
93.07051	4.1
95.08609	3.0
97.02899	4.9
97.06547	0.9
97.10229	0.4
99.04456	0.7
101.02390	1.3
105.07019	1.0
107.08589	2.4
109.02947	0.8
109.10179	1.2
109.29369	0.4
111.08085	0.9
117.07003	0.4
119.08642	0.5
121.10155	1.7
123.11697	0.4
127.03933	1.4
131.08543	0.6
133.08623	0.4
133.10182	0.7
135.11748	0.5
149.09653	0.4
149.13269	2.8
155.64436	0.3
159.11749	0.8
167.14378	0.9
185.04216	1.0
203.05325	0.6
231.15846	1.5
243.08473	1.3
253.14174	1.3
271.13754	0.4
287.18503	0.4
309.16751	0.6
335.26059	0.6
397.71152	0.4
471.21951	8.8
519.29272	4.8
523.34784	0.3
570.32617	0.4
587.39380	0.4
625.77295	0.4
661.05676	0.3
708.68701	0.4
713.48376	0.4
749.44427	100.0
750.44727	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	747.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28605	1.7
55.05504	4.7
57.03424	4.1
57.07076	100.0
58.04221	9.2
58.72641	1.8
59.04999	38.2
63.07859	2.0
67.05524	4.7
68.02533	1.7
69.07062	6.1
69.31504	3.8
69.31916	12.6
71.04986	1.7
71.08633	72.7
72.05795	11.5
73.02892	6.1
73.06560	16.9
73.86879	1.8
74.03703	1.9
75.04439	2.1
77.87673	1.7
81.07038	6.9
83.08620	3.4
85.10181	52.1
86.07332	2.2
87.04462	17.8
87.08081	2.3
89.06036	21.6
90.01915	28.3
91.05461	2.3
95.08604	4.8
97.10151	5.1
99.11721	7.6
101.05991	2.5
103.07580	8.2
105.06984	2.5
109.10182	3.3
113.13258	2.5
115.07570	2.0
116.08348	2.5
116.59505	1.9
117.09138	17.0
121.06474	2.1
121.08630	2.3
129.09065	2.6
131.07027	2.8
133.08603	12.9
147.10164	2.1
147.11595	3.3
152.15623	3.8
153.04276	1.7
155.17950	6.0
161.11716	4.1
167.91479	1.7
172.05937	1.8
177.11179	6.8
178.07083	4.4
183.17485	3.0
208.15529	3.1
213.22067	8.5
222.09737	8.9
222.17044	4.2
252.18008	5.0
266.19510	3.8
267.15857	3.8
268.16422	1.8
271.26315	4.5
278.44675	2.0
282.18985	2.3
285.17065	3.8
296.20636	6.1
310.22208	7.1
312.19928	2.4
324.23563	3.1
339.28760	3.4
340.23233	3.6
354.24805	3.3
363.49509	2.1
376.34235	3.0
384.25684	3.4
420.36725	6.6
428.28760	2.6
460.23978	3.7
464.39365	7.8
508.41949	8.3
511.23102	2.6
524.42444	2.9
550.41492	4.4
596.47437	21.5
612.46045	3.2
656.49548	3.1
711.93939	2.0
747.40723	11.1
747.51953	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	746.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	0.6
55.05511	2.9
57.03445	1.0
57.07078	100.0
58.07424	0.5
59.05004	23.2
60.21764	0.4
67.05501	1.0
69.07067	2.6
71.05022	0.5
71.08634	73.5
73.02907	1.0
73.06564	1.7
79.05487	0.7
81.07063	1.6
82.07407	0.6
83.08622	2.7
85.06560	0.6
85.10186	59.0
86.09724	1.0
87.04472	10.9
89.06034	65.3
91.07663	0.5
93.07040	1.0
95.05006	0.6
95.08604	1.1
97.10155	3.0
99.11732	11.6
101.06023	0.6
101.09680	1.3
103.07582	0.9
107.07082	1.1
111.11757	0.5
113.13277	3.6
117.09140	5.3
121.06536	0.5
125.00027	0.5
129.09169	0.8
130.08604	2.1
131.07045	4.6
133.08607	54.4
145.59213	0.4
147.10124	0.7
155.17961	8.9
161.11722	1.1
175.09685	3.8
175.13182	0.4
177.11229	24.7
184.07349	3.1
195.21091	0.5
199.20573	0.4
213.22147	17.5
219.12274	1.8
221.13864	4.8
231.16066	0.4
239.14861	1.1
254.24712	1.4
257.24792	0.5
265.16391	1.5
269.17227	0.4
270.18024	0.5
271.26361	6.4
283.17471	1.4
287.18530	0.7
309.18985	1.7
322.01025	0.4
327.20151	1.4
336.26401	0.5
353.21597	1.0
371.22607	1.4
415.25064	1.4
429.49377	0.5
441.26813	1.2
459.28043	12.4
495.57764	0.4
499.31674	2.1
517.31982	1.3
549.40338	0.7
557.34863	1.0
729.52472	1.1
746.44165	0.6
746.56250	6.0
747.41919	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05505	0.8
57.03442	1.6
57.07072	2.2
58.07402	0.7
59.04994	2.1
61.02935	5.3
67.05510	4.5
69.03436	2.6
69.07072	1.2
69.87896	1.8
71.08638	1.5
72.08183	0.3
73.02923	3.1
77.47208	0.3
79.05497	2.6
81.03419	2.0
81.07062	6.3
83.08634	1.0
84.61017	0.3
85.02908	5.2
85.10189	1.2
87.04467	0.9
89.06030	2.5
91.03960	2.8
91.05472	1.8
93.07072	2.4
95.08604	3.0
97.02901	4.1
99.04478	0.8
101.02387	2.2
105.07034	2.0
107.08596	1.5
109.02880	0.7
109.10143	0.4
117.07029	0.4
119.08585	1.6
121.10162	1.5
123.11759	1.1
127.03902	1.9
133.08633	2.0
133.10170	0.5
134.08913	0.4
135.11705	0.5
137.93433	0.4
140.42317	0.3
145.10130	0.6
147.11667	3.1
159.05402	0.3
165.12729	1.6
177.11244	0.7
185.04259	0.6
203.05368	0.4
243.08411	2.0
251.12541	1.2
257.25021	0.4
269.12344	0.5
287.13501	0.4
307.15335	0.8
335.25565	0.4
425.21368	0.8
469.20383	9.6
519.29211	4.7
726.87817	0.4
747.42920	100.0
748.42944	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	747.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.5
55.05503	11.8
57.03429	11.3
58.18685	2.8
60.08143	2.6
63.95923	2.9
65.03940	3.9
67.05518	24.3
69.03434	3.2
69.07072	22.2
71.01360	7.1
71.04995	70.7
71.55466	4.7
73.02900	7.0
75.04466	3.0
79.05479	11.7
81.07063	34.5
81.82334	2.7
83.04996	13.6
83.08620	11.2
85.02910	100.0
86.09699	4.7
87.04449	3.0
87.11739	3.1
89.90851	3.4
91.03995	3.0
91.05469	13.8
91.26826	2.6
93.07047	21.7
95.01321	6.5
95.08608	60.5
97.02883	6.9
97.10158	7.6
99.04450	3.8
105.07014	29.2
107.08603	41.5
107.20875	2.8
109.02972	3.2
109.10168	55.0
111.04432	12.8
111.11686	3.4
113.02394	4.7
117.06989	4.0
119.08589	39.6
121.10151	39.4
123.11727	21.9
129.05495	39.3
131.08546	8.6
133.10143	32.5
135.11685	29.8
137.13225	10.2
141.01881	17.4
143.08525	5.6
145.10153	14.6
147.06560	13.9
147.11702	28.9
149.02502	3.1
149.13264	13.3
151.03929	2.9
159.02971	3.6
159.11714	12.6
161.13310	24.9
163.14825	10.8
173.13202	8.3
175.14862	16.2
177.16426	22.7
184.07338	9.0
187.14842	13.4
189.16403	65.5
191.17969	43.7
201.16455	17.0
203.18005	29.9
205.19521	12.0
215.17972	15.2
217.19537	26.9
219.21155	7.1
227.17999	4.5
229.19569	14.6
231.21104	5.7
243.21205	3.7
245.22653	5.5
257.22568	5.8
269.22617	3.6
271.24228	4.7
297.25748	8.1
365.31967	4.8
407.36707	45.9
425.37762	4.1
509.19052	3.4
524.65442	3.1
747.41376	10.6
755.45862	3.3
761.83270	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	746.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.6
55.05520	2.2
57.03434	2.3
57.07077	99.2
58.07405	0.7
59.05003	45.0
60.03651	0.6
61.02924	0.7
67.05511	1.3
67.96791	0.5
69.07056	2.7
69.20247	4.8
71.08633	100.0
72.08160	1.1
73.02919	1.3
73.06554	1.4
81.07053	2.1
83.08611	4.5
85.02934	1.0
85.10184	96.5
86.09711	0.9
86.10506	0.9
87.04472	9.1
87.08067	0.9
89.06034	60.3
91.05466	0.7
91.07599	0.6
93.07046	1.2
95.04978	0.7
95.08594	0.8
97.02905	0.8
97.10161	1.8
97.10777	0.6
98.21533	1.3
99.11729	11.1
101.06016	0.9
101.09651	3.0
103.07560	1.9
107.08568	0.5
109.10154	0.9
111.11711	0.9
115.07568	0.6
117.09136	13.2
121.06516	0.9
125.13249	0.6
129.09164	0.7
130.08658	2.7
131.07063	3.9
131.10667	0.8
133.08609	47.9
141.15340	0.9
141.16377	12.2
144.98528	0.6
147.10188	1.0
161.11615	0.6
174.50513	0.5
175.09636	3.6
177.11234	21.7
184.07323	2.2
195.12129	0.7
199.20573	27.6
199.74120	0.6
219.12210	1.6
221.13785	4.6
239.14819	1.3
240.23117	2.4
257.24768	31.6
265.16367	2.2
283.17642	1.2
309.18994	1.0
315.28864	0.9
327.19867	2.4
349.85336	0.5
353.21753	0.7
371.22562	1.8
397.23877	0.9
415.25375	13.6
440.13568	0.6
455.28131	1.9
469.20444	1.1
473.29681	3.2
513.32520	1.5
547.33466	1.1
588.10504	0.6
605.42010	0.7
729.52466	1.0
746.40613	1.8
746.54584	7.7
747.42902	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	746.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01875	4.4
55.05512	58.4
57.03424	4.4
57.07082	16.1
59.04744	1.4
59.05005	14.8
61.02920	3.3
67.05495	4.4
68.99789	3.2
69.03082	1.1
69.03436	19.2
69.07071	58.4
70.06593	1.2
71.04974	3.5
71.08635	18.4
73.02915	3.3
79.05513	2.6
81.03421	23.7
81.07059	7.9
83.04992	5.8
83.08622	80.4
83.41770	0.9
85.02905	42.9
85.10180	2.7
86.09698	1.8
87.00836	16.5
87.04459	2.1
89.06036	46.0
91.03945	1.1
91.05463	1.9
93.07030	3.5
95.04963	3.4
95.08617	9.8
97.02907	14.1
97.06535	2.2
97.10173	100.0
99.04482	8.1
101.09686	0.9
103.03942	2.0
103.07590	2.0
105.01867	9.5
105.07018	1.3
107.07074	1.9
107.08558	2.2
109.02882	30.2
109.10135	2.6
110.37179	0.9
111.04435	6.5
111.11725	16.4
113.06042	1.0
117.01852	1.8
117.09145	3.3
119.08593	1.2
121.06496	1.8
121.10149	1.5
123.04468	1.1
125.05962	1.3
127.03924	26.7
129.01816	3.0
130.08653	1.3
133.08612	18.9
137.05968	1.6
145.04965	6.6
147.02832	2.1
147.10156	4.0
149.05945	1.3
151.09651	1.7
151.14879	1.5
153.16371	2.0
157.15872	4.4
159.02892	5.0
167.07034	2.8
169.15868	5.3
171.17444	35.9
177.11223	20.4
184.07368	1.7
185.08112	2.6
189.03847	2.1
189.18512	10.1
191.12819	2.9
195.12308	24.3
213.03880	4.7
215.20021	2.5
229.21652	28.0
231.04979	4.4
235.15427	13.0
247.22607	1.2
253.16455	17.9
273.24188	1.5
287.25787	22.0
289.09271	2.6
293.19562	8.1
297.20728	1.0
311.20676	3.8
383.20688	1.4
441.24902	1.4
481.37408	56.5
532.79730	1.1
596.15613	1.1
653.51721	1.1
728.43958	1.2
730.43475	1.2
746.43298	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	746.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56899	0.2
91.05463	0.6
95.05000	0.2
107.04958	1.1
108.05730	0.5
109.06441	0.2
115.04678	0.3
115.05460	4.2
118.04153	0.2
119.04934	0.4
121.06546	0.3
124.05223	0.3
129.07030	0.3
131.04903	0.2
135.04424	0.5
135.06805	0.4
136.05222	1.1
137.05972	2.7
138.06715	0.1
139.07542	0.3
143.04930	19.2
145.06502	0.3
150.06714	0.3
151.07550	25.1
152.07826	0.3
158.07288	0.3
160.05208	1.8
163.06288	6.9
165.09123	0.9
174.06824	0.4
175.07559	13.9
178.08638	100.0
179.08969	1.2
189.09108	1.5
192.10194	0.2
195.08075	0.2
200.68987	0.2
206.07387	0.2
207.07996	0.2
221.09650	0.5
222.10439	0.6
223.07567	0.4
235.07655	0.2
238.09918	0.4
239.10710	0.2
249.09163	0.5
250.09882	0.6
251.07224	0.2
251.10468	0.2
253.12267	1.2
266.09326	0.3
267.10150	0.9
281.11688	1.6
282.12509	1.2
283.09659	0.5
298.11920	0.3
313.14359	5.5
313.18051	0.3
314.15002	0.2
317.06516	0.5
330.16998	69.1
331.17322	1.5
691.89862	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.6
54.63135	0.6
55.01876	3.6
55.05515	35.8
57.03435	3.7
57.07082	17.0
57.07367	0.8
59.05006	16.0
61.02921	3.0
67.05507	3.5
68.99805	1.2
69.03436	13.7
69.07073	31.1
70.06569	0.6
71.04993	2.1
71.08639	4.1
71.56574	1.0
73.02915	2.3
73.06590	0.6
79.05507	1.2
81.03423	18.4
81.07062	10.0
83.04984	3.6
83.08624	100.0
84.08951	1.0
85.02910	27.4
85.06533	0.7
86.09724	0.6
87.00837	12.0
87.04466	1.8
89.06038	16.0
91.03946	0.6
91.05492	1.6
93.07046	1.8
95.04976	4.1
95.08617	4.7
97.02905	10.6
97.06551	2.8
97.10176	32.1
99.04461	5.4
99.08109	1.0
101.06034	1.3
101.09644	0.9
103.03996	1.1
103.07599	4.1
105.01874	7.0
105.07050	0.9
107.07109	0.8
107.08590	1.4
109.02885	23.0
109.10196	1.7
111.04449	5.0
111.08099	0.6
111.11737	1.7
113.06020	0.6
117.01866	1.8
117.09143	5.2
119.08572	0.7
121.06518	2.1
123.04421	0.7
123.08099	0.7
123.11796	0.6
125.06039	1.4
127.03933	20.6
129.01927	1.2
129.05531	0.8
131.07059	1.0
133.08611	14.0
135.11693	0.5
137.06001	1.4
137.13304	1.1
139.07486	1.0
139.14809	1.3
143.14293	0.6
145.04991	4.2
145.10191	0.6
147.02896	1.2
147.10194	0.8
149.06018	1.0
149.13283	2.8
151.09648	3.9
155.14339	5.5
157.15889	26.0
159.02870	3.6
161.11726	1.5
165.33975	0.6
167.07056	2.1
167.14349	2.1
171.17476	0.6
175.16989	6.2
177.11295	1.3
184.07359	0.7
185.08162	1.6
185.15388	2.3
189.04033	1.6
189.11366	1.2
191.12796	8.2
195.12193	0.6
198.18716	0.8
209.13846	7.2
211.16948	3.5
213.03952	5.1
215.20084	26.8
229.21655	0.8
231.05077	3.3
233.21176	2.6
239.14998	1.0
249.06161	0.8
249.17032	6.9
253.16481	0.9
265.17938	1.0
267.18097	4.2
271.08218	0.8
273.24258	22.4
283.19138	1.0
289.09201	3.9
291.25449	2.1
307.21069	2.8
323.22189	1.0
331.28470	5.5
338.00443	0.7
341.23572	0.7
341.28427	0.6
351.19107	0.6
364.35004	0.5
369.19232	1.9
405.28830	1.0
427.23297	1.5
445.24570	1.1
481.37469	26.8
482.37558	0.7
728.43951	0.7
746.43652	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	745.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01879	8.9
55.05516	10.9
57.03436	4.2
57.07068	5.3
65.03941	2.1
67.05513	26.2
69.06720	2.3
69.07071	26.6
71.01362	35.3
71.08624	1.7
73.02911	4.3
75.04487	11.0
75.30717	1.3
79.05498	13.4
81.03391	1.7
81.07063	47.4
83.08634	12.8
85.02911	46.4
85.03428	2.4
91.05482	12.7
93.07054	34.4
95.01341	8.4
95.08616	100.0
96.16821	1.4
97.10188	10.0
98.20700	2.9
99.04485	2.8
101.01715	3.0
101.02389	61.7
103.03949	2.1
105.07040	37.1
107.08607	65.7
108.00909	1.3
109.10168	83.5
111.11745	7.2
111.83824	1.7
113.02410	7.1
117.07024	2.8
119.08592	57.8
121.10153	58.2
123.11720	31.7
127.03925	14.3
129.06973	1.5
131.03363	2.6
131.08546	9.7
133.10150	55.2
135.11710	44.9
137.13251	11.8
141.01862	19.1
144.09451	1.4
144.92889	1.5
145.04979	77.2
145.10127	14.2
147.11707	45.8
149.13269	25.0
151.11148	1.5
151.14812	2.7
153.12740	1.5
157.10190	1.8
159.02887	3.0
159.11691	20.0
161.11966	2.5
161.13274	37.9
163.14835	24.9
171.11699	2.7
173.13286	12.5
175.14833	26.7
177.16396	36.2
179.17967	4.6
184.07346	5.0
185.13301	2.4
187.14836	17.4
189.16400	74.0
191.17976	69.9
191.19402	1.4
192.08426	1.3
199.14847	2.7
201.16411	21.3
203.17969	44.4
205.19534	20.9
207.17421	9.3
213.16388	3.2
215.17970	19.5
217.17441	2.9
217.19533	49.9
219.21082	6.2
221.19099	2.0
227.18007	2.8
229.19533	20.5
229.30629	1.9
231.21080	9.4
241.19524	4.4
243.21053	12.4
245.22697	9.6
255.21082	4.0
257.22668	9.5
269.22675	6.9
271.24295	12.1
283.24167	4.5
285.25793	3.4
297.25858	13.1
311.27496	2.5
337.28726	1.8
365.32034	3.4
383.20596	4.9
407.36774	95.3
408.37091	5.0
425.37866	19.4
601.41138	7.7
745.38525	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.4
57.03432	2.5
57.07079	100.0
59.05005	42.7
63.46746	1.0
69.07062	2.6
71.06517	2.7
71.08635	73.6
71.37803	0.9
75.04514	1.0
81.07062	3.0
83.08615	3.3
85.10187	67.4
87.04468	3.4
89.06037	20.1
94.02872	1.1
95.08574	1.7
97.10178	3.7
99.11737	11.2
101.09664	4.9
113.13294	4.7
117.09137	16.5
121.42584	1.0
133.08638	12.9
148.66345	1.0
151.07550	1.4
155.17952	10.3
175.13249	1.0
177.11249	6.2
213.22148	20.7
254.24892	3.5
271.26355	25.2
283.17587	7.2
329.30563	3.1
341.21796	3.0
434.31839	1.1
457.20041	1.1
744.57916	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	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01875	0.4
55.05521	1.4
57.03445	1.8
57.07074	0.4
57.49528	0.2
61.02925	5.1
63.88222	0.2
65.03935	0.5
67.05505	5.0
69.03436	3.5
69.07092	1.4
69.27620	2.1
71.01350	0.6
71.04993	0.6
71.08648	0.3
73.02917	4.4
79.05493	3.8
81.03416	1.5
81.07060	5.3
82.07397	0.3
83.04992	0.4
83.08627	0.8
85.02912	5.3
87.04492	0.4
91.03957	3.0
91.04994	0.2
91.05465	1.6
92.66875	0.2
93.07047	4.4
95.04972	0.5
95.08611	4.3
97.02895	4.5
97.06541	0.4
99.04469	0.9
101.02383	1.6
103.03944	0.4
105.07040	1.4
107.04974	0.3
107.08595	2.6
109.02863	0.6
109.10165	1.6
114.76212	0.3
115.03933	0.4
117.07040	0.3
119.08588	1.0
119.38915	0.2
121.06495	0.6
121.10169	2.0
122.06857	0.2
123.11778	0.3
127.03898	1.5
129.05450	0.3
131.08586	0.6
133.10165	1.0
135.11697	1.9
145.04942	0.4
145.10146	1.7
147.11742	0.6
149.13271	0.4
161.43175	0.2
163.11169	2.1
181.12196	0.3
184.07391	0.9
185.04289	0.7
190.44081	0.2
203.05344	0.3
219.09990	0.5
227.12817	1.1
243.08444	2.6
249.10995	11.4
269.17603	0.3
305.13681	1.1
335.25983	1.1
336.26395	0.4
467.18896	4.8
504.37589	0.8
519.29272	7.8
548.40094	0.4
583.36011	0.6
678.62689	0.3
745.41315	100.0
746.41589	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	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01881	1.8
55.05512	14.9
57.03444	11.5
57.07074	2.8
59.04991	1.9
60.08162	2.4
61.02926	3.6
65.03948	1.8
67.05511	79.4
68.05820	1.9
69.03445	1.9
69.07077	16.8
71.04994	8.9
71.08627	2.5
71.56484	2.1
73.02907	2.0
75.58253	1.5
79.05500	38.7
80.50726	1.6
81.03428	2.9
81.07065	100.0
83.04982	6.0
83.08624	11.5
85.02898	2.7
85.06540	7.5
86.09708	9.3
91.05486	29.0
93.07053	55.4
95.04977	5.2
95.08610	37.7
97.06535	9.4
97.10176	3.2
99.08144	1.7
105.07052	12.2
107.08605	26.0
109.06505	1.6
109.10170	17.5
111.08073	4.2
117.06997	7.5
119.08604	8.2
121.06511	8.7
121.10159	18.1
123.11738	12.5
124.99994	9.5
131.08560	14.6
133.08649	1.7
133.10136	16.9
135.11714	12.5
145.10117	3.7
147.11700	4.2
149.13269	17.4
149.83211	1.4
151.11197	3.7
159.11732	12.1
161.13312	2.8
163.14917	1.9
169.12202	2.5
173.13359	1.9
177.12772	4.6
184.07375	30.8
187.13333	7.1
187.14807	2.2
195.13884	7.2
213.14920	3.0
226.41866	1.4
227.19965	2.0
229.14522	1.7
243.15942	25.6
243.20970	1.7
261.22195	8.3
269.17480	17.1
272.20123	6.4
287.18555	35.2
287.23517	2.1
317.24713	2.6
335.25821	48.1
336.26010	2.4
361.27518	2.1
364.25049	1.9
503.37372	93.1
504.37457	2.7
521.37958	1.7
529.38873	11.4
547.39917	31.9
548.39893	2.4
598.49500	1.6
744.52466	10.4
745.40790	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	744.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01862	1.6
55.05514	20.9
57.03439	10.4
57.07077	7.2
57.15688	0.5
59.04983	1.8
61.02930	2.9
61.03172	0.5
65.03922	2.1
67.05507	48.2
69.03413	1.0
69.07069	35.5
69.27486	0.5
71.04990	5.5
71.08633	4.5
73.02898	1.5
73.06544	1.0
79.05495	25.7
81.03385	1.0
81.07060	55.9
82.07381	0.5
83.04993	3.7
83.08623	34.9
85.02886	2.6
85.06561	3.9
85.10147	1.6
87.04437	1.3
91.03963	1.1
91.05481	13.7
93.07047	49.6
95.04944	2.4
95.08609	34.2
97.02873	2.2
97.06540	15.8
97.10173	7.4
99.04442	1.1
99.08059	2.0
101.06036	2.7
105.04485	0.9
105.07044	10.0
107.08598	29.9
109.06539	1.4
109.10160	19.6
109.76602	0.6
111.07375	0.9
111.08083	12.2
113.09631	0.6
115.07536	2.3
117.07040	4.9
119.08581	6.4
121.06467	1.9
121.10152	21.5
123.08059	0.9
123.11718	7.0
125.09621	4.2
125.13239	2.5
127.03909	0.9
129.09166	1.4
131.08566	7.6
133.10141	6.9
135.11694	13.4
137.09576	0.8
137.13216	1.9
145.10126	4.9
147.11690	4.0
149.13261	55.1
159.11697	11.1
161.13271	2.7
163.14809	2.5
167.14322	23.0
173.01942	0.5
173.13223	3.7
175.14841	1.7
177.12756	4.8
177.16301	0.9
179.48615	0.5
185.15346	1.1
187.14796	2.0
195.13840	3.7
201.16399	0.9
213.14848	2.1
213.18546	1.5
231.15926	37.2
233.22586	1.1
243.21112	5.6
261.22147	18.8
264.51541	0.7
267.16098	0.8
269.17487	76.3
270.17761	0.7
279.23193	2.7
287.18533	100.0
288.18857	1.2
317.24774	3.3
335.25812	70.1
336.26135	1.9
353.26825	1.3
412.69046	0.6
473.36142	1.4
489.35611	1.8
529.38904	5.9
547.39978	55.8
548.40118	2.0
565.40857	2.8
652.00244	0.7
706.35406	0.6
737.50537	0.6
744.39789	1.0
744.52155	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
53.04243	1.1
55.01873	2.2
55.05267	1.9
55.05513	17.9
57.03435	10.7
57.07075	2.2
59.04997	2.4
60.08167	2.1
61.02909	4.3
61.03302	1.2
63.18688	1.4
65.03935	1.9
67.05507	76.7
68.05833	1.3
69.03423	2.2
69.07066	16.2
71.04981	6.5
71.07352	2.2
71.08649	2.0
71.56189	1.4
71.56586	2.3
79.05497	37.0
80.05799	1.6
81.03419	2.9
81.07060	100.0
83.04961	2.8
83.08623	12.6
85.02889	4.9
85.06564	8.3
85.10176	1.8
86.09710	15.7
91.05486	24.7
93.07047	47.7
94.90218	1.3
95.04965	3.8
95.08607	32.0
97.02869	2.8
97.06527	7.6
97.10143	3.6
99.04402	1.4
99.08063	1.8
103.05473	1.8
105.07029	14.7
107.08592	25.3
109.06487	1.4
109.10157	13.3
111.08066	4.9
115.65601	1.5
117.07018	8.1
119.08568	8.3
121.06527	7.0
121.10149	17.8
123.11706	11.7
125.00026	8.4
125.09657	1.4
131.08559	12.1
133.10136	18.5
135.11684	12.6
145.10158	3.9
147.11681	5.5
149.13257	16.8
151.11179	3.4
157.10258	1.6
159.11705	11.6
161.13316	3.2
169.12180	1.8
173.13234	3.6
177.12749	5.3
184.07344	46.0
184.09001	2.8
187.13298	6.6
195.13753	7.5
213.14789	3.6
241.14348	2.7
243.15945	28.8
243.21071	1.9
261.22162	7.8
267.15851	1.9
269.17557	17.8
271.19165	2.7
272.19971	4.0
287.18536	36.7
287.23630	2.9
335.25793	41.5
361.27283	2.0
437.64215	1.6
461.32693	1.5
503.37347	95.1
504.37363	3.1
521.38727	3.1
529.38861	11.4
547.39996	36.5
584.82019	1.5
635.77905	1.6
744.51642	9.7
745.40491	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	744.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.1
70.06600	0.2
70.87945	0.2
70.88278	0.2
72.08153	0.3
84.08156	0.1
91.05501	0.8
95.04954	0.1
97.06499	0.1
99.87036	0.1
105.07046	0.2
107.04932	0.6
108.05731	0.3
115.05466	3.1
117.07023	0.3
119.04922	0.4
121.02873	0.1
121.06496	0.3
124.05222	0.2
132.05725	0.1
133.06471	0.1
134.06021	0.1
135.04410	0.3
135.06735	0.1
136.05208	1.2
137.05992	2.7
139.07494	0.2
143.04933	17.8
144.05412	0.2
145.02882	0.1
150.06834	0.3
151.07552	22.5
152.07906	0.3
153.09142	0.2
153.72913	0.1
158.07272	0.2
160.05212	1.6
160.07455	0.1
161.06017	0.1
163.06291	6.1
165.09131	0.9
174.06773	0.6
175.07565	14.6
177.05476	0.1
178.08641	100.0
179.08977	1.4
179.95024	0.1
180.10211	0.1
189.09125	1.4
192.10223	0.2
207.08067	0.2
221.09540	0.4
222.10379	0.7
223.07458	0.2
225.09000	0.2
233.12135	0.1
235.07555	0.2
237.09244	0.1
238.10098	0.3
249.09088	0.5
250.09898	0.9
251.06995	0.2
253.08987	0.1
253.09453	0.1
253.12247	1.2
266.09467	0.3
267.10168	0.7
273.61670	0.1
281.11707	1.7
282.12555	1.1
283.09680	0.3
298.11954	0.5
302.12579	0.1
313.14328	5.4
314.14706	0.2
315.14731	0.1
330.17004	76.9
331.17313	1.9
385.02054	0.1
744.26019	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05515	1.1
57.03428	1.5
57.07074	4.9
58.43169	0.6
59.05005	1.5
61.02925	4.3
64.52715	0.6
67.05502	6.0
69.03434	2.2
69.07047	1.3
71.04955	0.7
71.08621	3.3
71.56490	0.9
73.02927	5.0
79.05498	5.2
81.03419	1.9
81.07064	5.5
83.04966	1.0
83.08619	1.3
85.02905	4.7
85.10199	2.4
87.04469	1.9
87.87433	0.6
89.06034	2.1
91.03967	3.0
91.05460	3.5
93.07050	5.4
95.04955	1.0
95.08623	4.0
97.02902	5.2
101.02353	1.2
105.07028	3.2
107.08595	2.2
108.34530	0.7
109.02889	0.9
109.06507	0.7
109.10172	1.6
111.48726	0.8
119.08562	1.3
121.10155	2.1
127.03922	1.3
129.07109	0.8
133.08607	2.5
133.10144	0.8
135.11687	0.7
145.10164	0.7
147.11740	2.0
171.11765	0.8
189.10027	0.6
213.22060	0.8
243.08290	0.8
267.15942	0.8
271.44171	0.8
285.17056	1.0
335.26038	0.8
405.54895	0.7
465.20996	8.0
519.29242	5.0
743.43420	100.0
744.43604	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	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01869	2.0
55.05265	1.2
55.05513	17.4
56.36015	0.9
57.03437	12.8
57.07073	2.2
61.02916	3.1
65.03923	2.0
67.05505	51.2
69.03432	1.5
69.06721	1.6
69.07068	20.1
71.04997	4.6
71.08607	1.3
73.02906	1.3
79.05493	30.1
80.36920	1.0
81.03432	1.2
81.07057	100.0
83.04989	6.5
83.08621	9.4
85.02897	2.7
85.06555	5.8
88.33605	0.9
88.62174	1.1
91.03945	1.2
91.05480	31.1
93.06476	1.7
93.07044	33.6
95.04958	2.7
95.08607	36.0
97.02925	1.4
97.06528	6.1
97.10181	2.0
99.08070	3.6
105.07030	37.4
107.07884	1.3
107.08598	23.3
109.06497	3.3
109.10146	12.8
111.08064	2.0
117.07005	3.9
119.08580	31.4
121.10140	31.9
123.08067	4.1
123.11713	29.2
127.07564	2.2
129.06973	1.2
131.08539	6.1
133.10144	6.1
135.11673	8.0
137.09586	1.0
137.13239	3.6
145.10103	5.0
147.11693	61.6
148.11935	1.5
149.13277	5.7
153.38599	0.9
157.10146	1.9
159.11688	2.4
161.13249	4.0
163.14795	3.1
165.12767	26.3
165.85028	0.9
173.13237	3.4
175.11201	2.7
177.16283	1.1
183.13742	3.0
187.14828	2.2
193.12286	1.1
216.10025	0.9
229.14381	5.5
233.22652	1.3
243.21101	6.7
261.22137	22.3
267.15924	74.3
268.16309	1.0
279.23264	2.1
285.16962	95.1
317.24768	2.9
335.25803	87.8
336.26074	2.1
353.26791	3.4
392.41379	1.1
448.16885	1.1
453.33688	2.1
471.34619	2.5
474.88297	1.1
527.37140	7.6
545.38373	68.7
546.38739	1.5
563.39044	2.7
767.76434	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4165
Annotation	CHEBI:67317
Peak:m/z	Relative Intensity
53.03742	0.3
53.03949	3.4
55.01867	0.7
55.05510	0.7
57.03447	0.4
61.02923	1.6
61.68818	0.3
62.43312	0.3
65.03938	0.6
67.05494	0.9
69.03434	1.4
70.06590	0.3
70.36248	0.5
70.36645	0.6
73.02908	1.4
77.03918	1.0
79.05491	0.5
81.03423	1.1
81.07043	0.8
85.02908	2.5
91.03949	1.1
91.04903	0.4
91.05487	11.8
93.07050	16.8
95.04970	3.7
97.02890	1.2
101.02405	0.6
102.04672	0.3
103.05474	12.1
105.04523	1.8
105.07041	0.5
107.08567	0.6
109.02894	0.6
109.10180	0.8
118.06580	1.8
119.08631	0.5
120.08095	0.6
121.06511	67.4
123.04451	0.9
127.03906	0.6
130.06529	1.0
131.07307	0.7
131.08626	0.3
132.08107	1.5
133.08792	0.3
137.05963	0.5
144.08086	0.6
146.09653	1.0
151.07574	0.5
164.07072	1.0
165.09062	0.4
202.15929	0.5
204.18158	0.3
226.06844	0.4
228.17537	0.7
229.14383	0.5
255.06636	0.6
256.17126	0.6
267.93216	0.3
277.95798	0.3
312.26923	0.5
324.26889	2.9
340.26373	4.9
340.30396	0.5
358.27536	0.7
368.25885	15.8
369.26117	0.3
386.26892	10.8
387.27362	0.5
404.27972	4.0
418.19016	0.3
442.29523	5.3
449.75742	0.3
460.30615	33.4
461.31067	0.9
494.15546	0.5
524.26825	0.3
524.33856	1.2
528.47040	0.3
580.36951	1.4
622.36053	0.8
742.41650	100.0
743.42010	5.0
753.74298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.4
55.01857	10.6
55.05522	20.5
57.03424	15.3
65.03909	4.6
67.05505	100.0
69.03434	4.3
69.07067	21.4
71.04980	7.0
71.57116	5.7
71.57787	4.7
78.96048	3.8
79.05494	62.8
81.03403	14.5
81.07060	80.2
83.04990	32.6
83.08604	12.5
85.02903	6.7
89.06001	4.1
91.05485	44.5
93.07044	72.7
95.04971	16.7
95.08609	53.8
97.06522	16.5
97.10172	7.6
99.04464	4.3
105.07051	26.9
107.04957	38.6
107.08606	43.5
109.06550	7.3
109.10170	33.5
111.04440	37.1
111.08094	10.5
114.16245	3.3
116.18539	4.4
117.07029	15.5
119.08589	34.6
121.06483	5.2
121.10146	42.1
123.11718	6.0
125.09602	4.9
129.06963	5.5
131.08601	21.5
133.10124	15.7
135.07973	3.7
135.11699	42.4
137.09663	3.8
143.08563	4.6
145.06493	7.8
145.10123	51.5
147.08063	3.7
147.11655	7.4
149.09555	4.9
149.13266	9.0
153.12735	8.0
155.08568	10.1
156.89000	3.9
157.10025	4.7
159.08134	5.6
159.11673	7.4
161.13257	6.6
163.11186	42.2
173.09631	28.1
173.11749	4.7
173.13219	3.6
181.12273	24.9
191.10754	21.6
207.13673	4.1
209.11636	7.6
227.12714	16.9
229.14316	10.5
243.20850	4.8
261.22156	15.9
265.14331	44.8
283.15405	78.1
301.16446	85.2
335.25827	63.5
451.31723	4.1
515.37219	11.9
525.35669	12.2
543.36871	32.0
544.36951	10.8
561.37952	54.8
586.61005	4.1
726.53809	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01879	2.2
55.05513	10.8
57.03438	8.1
57.07038	1.3
57.07307	0.4
59.04969	0.4
61.02912	0.8
65.03908	1.8
67.05506	36.0
69.03393	1.5
69.07068	10.1
71.04974	1.9
71.08605	0.5
73.02887	1.2
77.03911	0.6
79.05495	28.7
81.03392	1.0
81.07059	37.5
83.04983	2.3
83.08620	7.5
85.02867	1.2
85.06509	0.9
90.67642	0.4
91.05485	12.4
93.03389	0.5
93.07047	41.1
95.04959	5.6
95.08611	44.5
97.02882	2.9
97.06542	3.2
97.10130	1.5
99.04426	1.8
103.05440	1.1
105.04458	0.6
105.07035	10.6
107.04960	5.3
107.08597	26.3
109.06496	1.8
109.09462	0.6
109.10152	8.7
111.04387	0.6
111.08036	0.8
113.05958	0.5
117.06229	0.6
117.07011	8.2
119.07801	0.7
119.08583	10.1
121.06507	3.3
121.10146	17.0
123.08031	1.2
123.11680	1.8
125.05996	2.4
130.07751	0.9
131.08574	3.9
133.10136	4.5
135.08115	2.0
135.11700	36.3
136.12032	0.5
137.09682	0.5
137.13237	0.7
139.07538	0.9
143.08549	1.0
145.10124	20.4
147.11703	2.3
149.13240	2.7
151.11191	0.5
153.12755	1.2
155.08514	0.5
159.11720	2.3
161.13231	1.5
163.11188	39.9
163.14824	1.0
164.11505	0.7
166.20934	0.4
173.13239	2.3
180.50862	0.4
181.12202	6.6
181.53619	0.5
187.14804	0.8
209.11713	0.8
227.12788	45.6
228.13048	0.6
229.09419	0.4
243.21092	2.7
261.22165	6.9
283.15399	47.1
284.15793	1.1
305.33099	0.4
317.24780	1.8
335.25806	100.0
336.26212	2.5
392.51599	0.5
510.66147	0.5
543.36823	75.6
544.37170	2.9
561.37830	0.5
623.36053	0.4
656.89954	0.4
740.50256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
65.03944	0.1
67.05471	0.1
68.99780	0.2
69.03417	0.2
70.06602	0.1
71.57327	0.1
77.03916	0.1
81.03413	0.3
81.07056	0.1
81.19160	0.1
85.02901	0.1
86.68147	0.1
89.03933	0.1
91.05480	1.1
93.07035	0.1
95.04970	0.1
97.02877	0.1
99.04481	0.1
103.05466	0.1
105.03384	0.2
105.07007	0.1
107.04926	0.1
107.08591	0.1
109.02888	0.2
109.06505	0.1
111.04438	0.1
111.77921	0.1
115.05467	0.1
117.03365	0.1
119.04950	0.8
121.02868	0.3
121.06499	0.1
122.03569	0.1
127.03869	0.1
128.06218	0.3
129.07011	0.4
131.04932	0.2
131.08601	0.1
133.02853	1.8
133.10046	0.1
134.03609	0.1
135.04465	0.1
137.02347	4.7
137.05960	0.4
141.06967	0.1
143.04974	0.1
143.08566	0.2
145.02852	0.9
147.04399	0.4
149.02373	0.4
149.05956	0.5
150.06763	0.3
152.06215	0.2
153.06998	0.9
155.08559	0.1
157.06529	0.9
161.05992	0.1
165.05449	0.2
165.07002	0.2
167.07045	0.1
169.06509	0.2
171.08090	0.7
175.03900	0.8
177.05498	0.2
181.06485	2.0
182.07199	0.1
184.05182	0.2
185.05956	0.2
197.05861	0.2
198.06683	0.1
199.07544	7.3
200.07864	0.1
201.05482	0.3
205.06610	0.1
207.06567	0.1
209.05923	0.2
209.07430	0.1
210.06804	0.1
211.07588	0.2
213.05545	0.1
217.64806	0.1
226.06171	0.1
227.07034	3.7
233.05975	0.2
237.05475	1.4
255.06523	100.0
256.06891	1.6
261.05484	0.1
265.08505	0.1
269.08096	0.1
293.08075	0.2
325.06955	0.1
325.10672	1.5
429.09796	0.2
469.14816	0.3
487.16089	0.1
600.23486	0.1
630.82135	0.1
741.42346	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	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.1
55.01845	2.1
55.05511	11.7
57.03442	8.7
57.07049	2.0
61.02906	1.2
61.36423	0.5
65.03909	1.7
67.05506	36.0
69.03392	1.3
69.06737	0.9
69.07069	11.2
71.05000	2.3
71.08619	0.5
73.02912	0.9
79.05492	34.6
80.20400	0.4
81.03388	2.0
81.07058	40.2
81.28006	0.5
82.07349	0.5
83.04979	3.2
83.08620	8.8
85.02886	0.8
85.06510	1.4
91.05480	13.4
93.07044	48.3
95.04969	5.8
95.08606	50.9
97.02891	4.6
97.06541	4.3
97.10148	1.6
97.86279	0.5
98.21629	1.0
99.04437	3.3
102.46188	0.5
105.06384	0.8
105.07033	10.2
107.04958	8.5
107.08595	31.9
107.96125	0.5
109.06508	1.9
109.10146	10.7
111.04435	0.8
111.08055	0.9
113.06014	0.9
115.05423	0.6
115.34683	0.5
117.07021	8.5
119.07803	0.8
119.08585	12.9
121.06528	5.2
121.10143	22.0
123.08034	0.7
123.11727	2.8
125.05934	2.1
129.06943	1.1
130.07767	2.0
131.08575	4.7
133.10126	6.8
135.08026	1.8
135.11693	50.2
137.13240	0.7
139.07520	1.5
140.63878	0.5
143.08560	1.0
145.10126	28.0
147.11723	2.7
149.13239	2.5
153.12683	1.5
155.08563	0.9
159.11678	2.0
161.13281	1.7
163.11182	57.4
163.14783	1.4
168.26242	0.5
173.09583	1.3
173.13272	1.3
181.12218	10.0
187.14761	0.7
209.11745	1.8
227.12784	72.9
228.13208	1.0
243.20876	2.4
261.22153	8.3
283.15393	100.0
284.15762	1.5
317.24719	2.5
327.77939	0.5
335.25793	97.3
336.26321	2.4
336.30777	0.5
445.19666	0.5
469.33008	1.3
529.88806	0.6
543.36823	92.8
544.37189	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	733.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	4.4
57.03422	3.5
57.07079	97.6
58.04213	9.2
59.05000	40.8
59.72826	2.5
61.02921	5.6
67.05498	10.9
69.03427	5.1
69.07049	6.6
69.44725	17.6
69.78313	2.5
71.04965	3.6
71.08637	74.3
72.05776	18.7
73.02920	15.9
73.06565	35.4
79.05492	3.5
81.07043	6.8
83.08614	7.5
85.02922	5.7
85.09715	4.2
85.10189	58.8
87.04474	40.0
88.05239	6.4
89.06034	42.5
90.01923	54.5
95.08614	12.5
96.24073	2.2
97.10206	3.8
98.20725	2.9
99.11726	10.2
101.06007	4.9
102.05523	3.5
103.06947	3.6
103.07573	21.0
105.07007	4.0
108.98658	2.7
113.13264	4.7
116.08337	7.5
117.09157	28.2
120.48241	2.4
120.60433	2.8
131.07033	7.2
133.08609	23.1
135.10048	3.0
147.10164	4.6
155.17973	4.5
161.11700	5.3
175.09660	3.2
177.11195	11.6
178.07109	7.5
183.17456	4.2
202.14709	3.0
208.15450	8.5
209.13898	3.4
213.22136	6.2
214.74586	2.6
222.09756	16.7
222.17055	4.6
224.14813	2.8
243.08287	2.7
249.61282	2.6
252.17924	6.0
257.24728	6.4
266.12466	5.3
266.19632	11.2
271.16284	5.2
282.19061	4.4
285.17813	3.6
296.20679	9.5
310.22095	13.7
312.19998	3.2
326.21652	5.4
326.27762	2.9
340.23303	9.4
354.24762	6.0
362.32373	4.0
384.25684	3.7
406.35178	10.8
450.37604	9.3
455.22345	9.1
494.40558	15.2
504.26218	5.0
519.29150	6.7
554.42786	3.7
582.45850	31.5
598.44830	5.3
642.47266	7.9
705.50732	2.7
733.44434	100.0
734.45184	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	737.393
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05530	1.1
69.03417	1.3
69.24092	5.1
69.24519	2.4
70.06590	1.3
79.05492	1.6
81.03435	1.6
81.07059	2.5
83.01087	0.9
85.02905	1.7
86.09722	1.0
91.05493	2.0
93.07058	1.3
95.08604	2.0
97.02911	1.0
98.21474	1.5
105.07048	1.1
107.08627	1.7
109.02909	1.2
109.10194	1.4
111.04259	1.0
119.08620	1.2
121.10200	1.2
123.08043	0.9
127.03813	2.5
127.76884	0.8
129.07129	0.8
133.10176	1.3
135.11575	0.8
137.05994	1.6
145.10127	1.1
151.90735	0.8
155.06842	1.4
161.13266	0.8
165.09099	1.0
171.06357	1.8
204.13760	0.9
264.38351	0.9
301.07117	1.2
328.36520	0.8
419.84018	0.9
429.28412	1.3
471.33130	2.8
487.32935	2.7
489.33920	9.2
517.33502	20.3
531.35101	5.1
633.38324	14.6
651.39258	35.9
652.38904	1.0
693.40344	56.9
694.40674	2.3
737.39343	100.0
738.39868	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	733.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01866	2.2
55.05511	14.8
57.03188	1.7
57.03442	24.3
57.07073	6.4
61.02927	6.9
64.86470	1.1
65.03930	3.2
67.05170	2.1
67.05505	28.4
69.03436	19.3
69.06722	2.0
69.07068	27.1
71.01359	12.2
71.08606	1.1
73.02920	52.2
79.05068	1.3
79.05494	18.5
81.03426	2.6
81.07059	47.8
83.04973	2.1
83.08627	14.8
85.02905	39.0
87.04450	2.2
91.05473	19.0
92.91389	1.0
93.07050	36.5
95.01325	10.4
95.04967	2.5
95.08611	100.0
96.08925	1.5
97.02898	37.9
97.10160	7.7
98.20733	3.7
99.04442	1.6
101.02349	1.3
103.03947	3.6
103.05444	1.1
104.47376	1.0
105.07034	42.6
105.93970	1.2
107.04961	1.4
107.08597	59.0
109.02863	2.0
109.10159	80.4
111.08086	1.4
111.11726	6.2
113.02383	3.3
115.03163	1.8
115.03933	25.5
117.07015	5.0
119.06128	1.3
119.08586	62.8
121.10146	55.3
123.00764	1.8
123.04346	1.5
123.11714	33.1
125.02332	2.9
125.13246	1.2
127.03891	2.4
129.07059	1.5
130.07692	1.1
131.03424	1.8
131.08577	11.2
133.04970	5.2
133.10136	44.7
135.11700	43.0
136.11977	1.1
137.13278	8.8
139.03917	2.5
141.01836	30.2
143.08563	3.2
144.09340	2.5
145.10121	22.0
147.11691	39.0
149.13255	29.5
151.14790	3.3
157.04941	1.7
157.10104	4.0
158.10922	1.6
159.02878	7.3
159.11693	25.6
160.12503	1.3
161.04465	1.8
161.13264	43.0
161.14612	2.1
163.14827	22.8
171.11681	3.0
172.12480	1.5
173.13281	14.9
175.14822	27.2
177.03952	2.7
177.14806	1.9
177.16388	39.6
179.17938	4.1
185.13268	3.0
187.14812	23.1
189.16389	90.7
190.16673	1.4
191.17957	76.6
197.93575	1.1
199.05940	2.0
199.14799	4.0
201.16389	33.2
203.17958	51.4
205.19508	26.1
207.17447	3.4
213.16409	4.0
215.17969	26.2
217.07108	7.5
217.19527	47.3
219.21089	8.9
221.19016	1.9
227.17966	4.4
229.19533	23.6
229.78656	1.3
231.21089	13.8
241.19537	3.2
243.21048	11.1
245.22778	5.3
255.04988	2.7
255.21069	6.3
257.22668	9.0
259.24237	1.4
261.25705	1.6
269.22641	6.7
271.24155	13.0
273.06226	2.0
283.24197	3.9
285.25885	1.7
291.07065	1.5
297.25778	18.3
311.27124	2.5
315.26846	2.4
323.27264	2.1
337.28635	3.1
351.30548	1.9
365.19434	1.2
365.32010	3.0
407.36743	88.2
408.37112	2.5
425.37704	8.8
671.42444	1.5
715.45410	3.8
733.44849	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	733.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01862	0.4
55.05512	1.3
57.03443	1.8
57.07069	0.2
61.02928	4.6
67.05177	0.3
67.05511	4.9
69.03436	2.8
69.07066	1.3
69.21110	2.1
71.01361	0.4
71.04996	0.7
71.08636	0.3
72.08147	0.3
73.02923	3.5
73.63633	0.3
79.05505	2.4
81.03421	1.3
81.07061	5.4
83.04984	0.3
83.08623	1.1
85.02910	5.0
85.06541	0.5
87.04479	0.5
89.06040	0.4
91.03967	3.4
91.05470	1.2
93.07056	2.6
95.04998	0.4
95.08616	6.7
97.02898	4.9
97.06532	0.4
97.10175	0.3
99.04462	1.0
100.42655	0.2
101.02386	1.7
103.03939	0.4
105.07047	0.9
107.08590	1.4
109.02885	0.7
109.10148	1.7
115.03972	0.5
117.06998	0.4
119.08569	1.2
121.10174	1.3
123.11741	0.4
124.65230	0.2
127.03925	1.2
131.08560	0.6
133.10147	0.7
135.11739	0.8
137.09634	0.3
137.13280	0.3
145.04974	0.4
145.10141	0.6
147.11714	0.3
149.13249	0.3
159.11771	0.2
161.13252	1.0
163.69582	0.2
179.14360	0.3
185.04280	0.7
203.05299	0.5
204.92342	0.2
231.34885	0.2
237.14674	0.9
243.08409	2.2
269.93982	0.2
271.19089	0.6
335.25998	0.7
366.94348	0.2
420.98398	0.3
455.22620	4.6
472.21875	0.2
519.29352	6.5
733.44971	100.0
734.45355	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	732.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01883	2.4
55.05513	34.4
57.03439	2.5
57.07078	16.9
57.07370	0.6
59.04740	0.7
59.05004	7.9
61.02922	1.5
61.64187	0.4
65.39142	0.3
67.05500	2.7
68.99787	1.2
69.03431	10.1
69.07071	31.7
69.32267	1.2
69.32685	2.2
70.51765	0.4
71.01315	0.4
71.04996	2.4
71.08633	3.6
73.02921	2.0
79.05497	1.0
81.03423	14.0
81.07058	6.7
83.04960	2.4
83.08620	100.0
84.08948	0.6
85.02907	21.6
85.06532	0.8
87.00833	9.3
87.04453	2.0
89.06033	27.7
91.03956	0.5
91.05489	1.2
92.08050	0.4
93.07043	1.6
95.04986	2.6
95.08601	4.0
97.02891	8.5
97.06538	1.4
97.10173	30.6
99.04460	4.9
99.08079	0.5
101.02396	1.0
101.09673	0.4
103.03950	1.1
103.07625	1.2
105.01875	5.5
105.07017	0.9
107.07093	1.1
107.08613	1.2
109.02881	16.2
109.10165	1.1
111.04455	3.5
111.11727	1.1
113.05993	0.4
117.01859	1.2
117.09161	2.1
121.06514	1.0
121.10175	0.6
123.04411	0.4
123.08118	0.5
123.11682	0.7
125.06028	1.0
125.13313	0.6
127.03923	17.4
129.01849	1.6
131.07083	1.2
133.08606	12.8
137.06036	0.9
137.13257	0.9
139.14850	1.8
143.07013	0.5
143.14278	0.7
145.04962	4.0
147.02904	0.8
147.10182	3.3
147.11621	0.5
149.06015	0.8
151.09705	1.1
155.14330	4.3
157.15886	24.0
159.02905	3.4
167.07098	1.7
171.02887	0.7
171.08089	0.4
175.09700	1.7
175.16930	4.8
177.11232	14.6
185.08145	1.6
189.04031	1.4
191.12842	1.0
195.12297	12.1
198.18462	0.6
201.18536	0.4
209.13756	0.6
213.03935	3.5
215.20076	22.5
216.20671	0.5
231.04929	3.1
233.21182	1.1
235.15424	9.8
235.17654	0.8
239.15005	0.7
253.16441	11.1
256.15631	0.8
259.22812	0.6
260.92868	0.4
265.18054	0.9
273.24246	16.8
273.27219	0.9
275.14041	0.5
283.19183	1.0
289.09174	2.6
293.19632	5.9
297.19107	0.7
311.20773	2.5
323.22330	0.6
359.23834	0.5
369.19308	0.7
393.47775	0.5
427.23325	0.5
449.34824	1.0
467.35812	39.3
468.36206	0.9
594.09241	0.5
615.87531	0.5
732.46240	1.1
747.77362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.5
55.05518	1.5
57.07078	77.0
59.04702	1.0
59.05003	14.9
67.05498	0.6
69.07062	1.9
69.85960	1.6
71.08636	48.6
73.02918	1.0
73.06565	4.1
81.07072	0.7
83.08624	1.4
85.06525	0.7
85.10187	39.6
87.04475	16.2
89.06036	100.0
97.10175	1.2
98.20774	0.5
99.11736	5.9
103.07594	6.3
107.07062	1.8
113.05975	0.6
113.13287	2.1
117.09145	4.8
120.82793	0.5
130.08617	2.3
131.07056	7.2
133.08609	73.9
134.08975	0.7
134.61879	0.6
135.10153	0.8
155.17955	4.5
161.11703	2.0
175.09641	6.4
177.11232	36.0
179.12766	0.6
184.65819	0.5
199.20485	0.8
208.25618	0.5
213.22160	5.4
219.12231	2.5
221.13835	8.6
235.15359	0.6
237.13210	0.8
239.14879	1.1
257.24734	5.8
265.16449	2.3
283.17468	2.1
309.18970	2.2
314.14246	0.6
327.20087	1.2
353.21552	1.2
371.22665	0.9
397.24240	1.1
415.25177	1.6
441.26709	1.1
459.27817	2.7
485.29160	0.6
503.30652	9.4
543.34076	2.6
543.41724	0.7
715.50824	1.9
732.54907	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	732.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.7
57.03459	0.8
57.07078	100.0
59.05003	31.9
64.34148	0.9
69.07053	2.0
70.78625	1.2
70.78967	1.8
71.08634	96.0
73.02929	1.3
73.06557	3.2
83.08616	3.3
85.10185	91.7
87.04469	15.1
89.06034	92.1
91.05467	0.9
91.07569	1.0
94.05844	0.7
97.10170	1.4
99.11732	11.5
101.09686	1.8
103.07600	1.7
107.07068	1.5
111.94733	0.9
113.06007	1.4
117.08341	1.4
117.09119	8.2
121.08188	0.8
130.08635	1.6
131.07028	6.4
133.08611	68.4
139.99597	0.8
141.16377	11.1
147.10098	1.0
152.53973	0.9
161.11786	1.3
175.09621	5.7
177.11237	29.3
191.12764	1.0
199.20573	26.2
219.12231	2.3
221.13905	7.6
223.15303	1.0
232.12599	0.8
239.15005	1.8
240.23138	1.5
257.24738	11.1
263.14896	1.8
265.16476	2.3
267.18167	1.0
283.17334	1.9
309.19183	2.2
327.20111	1.0
353.21606	1.9
371.22681	1.2
415.25357	1.8
441.27045	1.1
459.28012	14.6
487.41290	0.9
499.30997	2.8
517.32568	1.2
715.51691	1.2
732.54877	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	731.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
53.37561	0.2
55.01876	0.4
55.05508	0.9
57.03440	1.8
57.07069	1.0
58.63987	0.2
59.04996	0.6
60.47179	0.2
61.02929	6.0
65.03932	0.2
67.05507	5.4
68.05445	0.3
69.03432	3.0
69.07070	1.6
70.13758	0.9
71.01341	0.5
71.04988	1.0
71.08634	0.9
72.08158	0.3
73.02919	4.5
79.05499	3.1
81.03406	1.5
81.07063	5.4
83.04975	0.3
83.08613	0.9
85.02905	5.3
85.10179	0.7
87.04486	0.5
89.06060	0.4
91.03960	3.3
91.05486	2.2
93.07049	4.5
94.69917	0.2
95.04980	0.6
95.08609	3.8
97.02901	4.4
97.06556	0.4
97.10187	0.3
99.04508	0.7
99.08149	0.3
101.02387	1.7
101.68565	0.2
103.03970	0.6
105.07031	1.2
107.08604	2.4
109.02893	0.8
109.10166	1.4
111.08102	0.2
115.03968	0.5
117.07045	0.7
119.08574	0.6
121.10147	1.7
123.11735	0.6
127.03927	1.6
131.08598	0.8
133.08662	0.3
133.10155	0.7
135.11716	1.0
145.05038	0.4
147.11716	0.4
149.13239	1.2
159.11768	0.7
161.13239	0.4
163.14781	0.3
174.06538	0.3
177.35133	0.2
185.04311	0.7
218.95692	0.2
235.12996	1.0
243.08400	2.1
288.02765	0.3
291.15778	0.3
335.25986	0.5
376.35773	0.3
443.10266	0.3
453.20956	3.9
486.96024	0.3
519.29254	7.1
546.06537	0.3
731.43396	100.0
732.43634	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	730.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
57.03424	1.4
57.07079	100.0
59.05005	36.6
62.49767	0.5
67.05465	0.8
69.07060	1.6
69.81928	1.1
69.82333	2.0
71.08634	70.6
72.03532	0.6
73.02899	0.7
75.34881	0.6
80.50996	0.5
81.07040	0.7
83.08612	2.4
85.10185	61.5
87.04467	3.9
89.06033	23.9
93.28481	0.7
97.09610	0.5
97.10172	3.7
99.11734	11.5
99.49773	0.5
101.06025	1.1
101.09660	3.0
103.07568	0.9
107.07056	0.7
111.11736	0.7
113.13282	4.1
114.47753	0.6
117.09136	13.6
130.08633	1.3
131.07004	1.1
133.08614	19.8
137.58331	0.6
155.16743	0.7
155.17952	10.1
158.11768	0.6
175.09685	1.0
175.13266	0.8
177.11226	7.3
188.87930	0.6
191.12878	0.6
192.34502	0.7
213.22151	21.7
213.24217	1.1
219.12239	0.9
221.13818	1.3
254.24823	2.1
265.16385	0.6
271.26340	26.1
283.17551	1.1
327.20132	9.7
329.30429	1.3
367.23135	1.9
385.24191	3.2
425.27087	1.0
443.28317	0.7
507.87250	0.6
656.60205	0.6
730.56781	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	730.568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05218	1.0
55.05511	2.1
57.03442	1.5
57.07079	100.0
59.04708	1.9
59.05005	37.8
60.15205	0.9
69.07059	2.7
71.08636	75.1
71.09253	1.9
83.08617	1.9
85.10185	64.1
87.04471	3.6
89.06036	24.0
96.28992	1.0
97.10191	4.8
97.68710	1.2
99.11236	1.0
99.11755	12.4
101.09701	4.7
107.08604	1.2
111.11742	1.5
113.13277	3.8
115.07572	1.5
117.09140	13.1
133.08614	19.7
143.53481	0.9
151.11284	1.0
151.71425	0.9
154.79181	0.9
155.17931	9.9
159.13924	1.2
162.23662	1.0
168.26141	1.2
177.11234	8.9
189.95432	1.0
213.22147	20.6
221.13728	1.5
254.24823	2.4
271.26346	24.6
327.20135	9.8
329.30502	1.8
385.24313	2.2
452.68268	1.1
730.57245	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	727.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.4
65.03931	0.4
65.15258	0.4
71.56740	0.5
76.40128	0.4
85.02900	0.7
91.05494	1.0
105.07035	1.0
107.04962	3.1
108.05727	0.8
109.02898	0.5
115.05421	0.6
116.01340	0.4
121.06478	0.8
128.06224	1.0
129.07013	0.8
131.04927	0.6
131.08607	0.6
135.04358	0.6
136.05205	2.0
137.05972	0.9
139.07587	0.7
143.04935	0.6
144.05699	1.4
145.06467	1.4
146.07260	0.8
148.07559	1.6
150.06750	1.1
151.07556	36.4
158.07306	8.3
159.04420	1.6
159.08014	1.9
160.07516	0.5
163.06360	0.5
165.09152	3.1
169.84253	0.5
174.05466	0.8
174.06801	8.7
176.07054	3.4
177.07893	4.1
178.08609	0.5
189.09128	29.8
192.10207	100.0
193.10506	0.7
210.13916	0.4
253.12000	0.5
265.08725	0.4
265.11877	0.4
280.11041	0.5
281.11798	2.4
295.13416	0.6
296.14050	4.8
297.11234	0.8
312.13498	1.4
327.15933	9.9
344.18597	75.7
345.18918	1.8
362.11325	0.7
370.01517	0.4
558.67883	0.5
595.27399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01870	0.9
55.05514	18.1
55.05784	1.0
57.03188	1.2
57.03441	12.7
57.07090	3.2
61.02925	3.8
65.03956	3.0
65.27190	0.6
67.05508	61.8
68.05842	0.6
69.03435	1.1
69.07073	20.7
69.26734	0.6
69.96444	0.6
71.04991	3.3
71.08610	1.5
73.02917	0.9
79.05495	24.2
81.03458	0.6
81.07061	70.2
83.04989	1.9
83.08622	15.0
85.02908	3.5
85.06555	6.2
91.03965	1.8
91.05489	12.7
93.07050	28.3
95.04987	1.5
95.08611	98.4
96.08961	0.9
97.02894	2.2
97.06545	6.2
97.10178	4.5
99.08080	2.0
105.07038	11.0
107.08604	15.3
109.06542	1.1
109.10163	26.5
111.08089	2.1
111.11825	0.6
112.18301	0.7
117.07028	1.8
119.08583	10.4
121.10150	13.5
123.08067	1.2
123.11720	3.9
125.09692	0.7
131.08589	5.9
133.10132	9.8
135.11707	10.5
137.09622	1.4
137.13243	4.6
145.10109	4.2
147.11713	2.3
149.13269	3.5
151.14883	1.6
159.11729	4.1
161.13260	12.8
163.14842	2.0
171.11710	0.7
173.13304	3.0
175.14784	1.1
179.14294	6.8
183.09491	0.6
187.14833	1.9
197.15375	3.2
215.16492	2.5
229.23572	0.8
231.45921	0.6
243.21069	2.9
261.22125	10.7
269.17474	2.4
271.19055	100.0
272.19424	1.7
292.09097	0.7
317.24765	2.6
335.25812	92.3
336.26404	1.8
382.74496	0.6
409.62341	0.6
421.34799	0.8
439.35635	0.8
457.36865	1.0
513.39160	1.4
531.40472	86.1
532.41278	3.8
549.41473	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	726.479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.5
53.03942	2.4
55.01873	1.2
55.05266	0.6
55.05515	10.0
57.03442	9.9
57.07080	2.3
59.00920	0.4
59.05002	0.5
61.02927	1.9
62.12673	0.4
65.03935	2.0
67.05508	46.0
69.03441	1.3
69.07071	15.4
71.05006	2.2
71.08636	0.8
73.02924	0.6
74.81536	0.4
79.05495	32.7
81.03448	0.7
81.07060	58.0
83.04990	3.9
83.08626	8.4
85.02905	2.2
85.06554	2.1
89.06023	0.5
91.03952	0.8
91.05487	16.6
93.07048	44.4
95.04971	3.1
95.08611	27.6
95.09234	0.8
97.02877	0.8
97.06546	6.0
97.10178	1.8
99.04451	0.4
99.08097	1.5
105.04543	0.8
105.07030	9.0
106.04201	0.4
107.05002	0.4
107.08600	23.9
109.06538	1.5
109.10159	10.1
111.08087	2.6
111.11699	0.5
113.09676	0.5
114.24135	0.4
117.07029	5.2
119.08578	6.5
121.06558	0.8
121.10150	18.3
123.08099	0.7
123.11726	3.0
125.09650	0.9
125.67972	0.4
127.07484	0.5
129.06975	0.6
131.08569	7.9
133.10141	7.9
135.08087	0.8
135.11697	8.3
137.09608	0.6
137.13226	0.8
139.11198	0.9
145.10138	2.7
147.11700	3.6
149.09613	0.7
149.13258	16.9
151.11221	0.8
157.10170	0.7
159.11707	8.9
161.13281	1.6
163.14833	1.5
165.12688	0.5
167.14342	0.5
168.83435	0.5
171.11691	0.7
173.13242	2.3
175.14806	0.8
177.12750	3.2
177.16435	0.8
179.14474	0.5
187.14859	1.1
195.13814	6.0
201.16460	0.6
213.14775	0.8
217.19388	0.4
219.17471	0.4
243.21045	2.4
247.88615	0.5
248.09073	0.5
261.22156	7.6
267.15982	1.2
269.17487	46.1
270.17923	0.9
299.23703	0.5
308.22546	0.5
317.24728	1.8
335.25812	47.7
336.26202	1.2
346.05518	0.4
437.34326	0.9
455.35397	0.6
473.36844	0.5
511.96838	0.4
529.38916	100.0
530.39392	3.6
547.39905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.7
53.03951	1.9
55.01882	0.2
55.05510	0.3
56.23001	0.2
57.03416	0.2
59.42010	0.2
59.84527	0.2
60.23165	0.2
61.00881	0.2
61.02929	0.4
65.03922	0.3
67.05491	0.5
69.03426	0.5
69.07069	0.5
69.71232	1.0
70.06599	0.4
73.02909	0.5
73.41893	0.2
74.07022	0.2
77.03926	0.6
79.05492	10.5
81.03426	0.9
81.07045	0.9
85.02925	0.8
86.09731	0.4
91.05481	1.2
93.07036	0.5
95.04971	1.9
95.08627	0.4
97.02896	0.4
103.05468	7.5
105.04527	0.8
105.07034	75.2
106.07368	0.8
107.08632	0.3
109.10152	0.3
118.06540	0.6
119.04975	0.3
121.10172	0.3
123.11732	0.2
127.03922	0.4
130.06554	0.3
132.08072	0.5
133.10147	0.3
137.05986	1.4
144.08099	0.4
146.09685	0.9
148.84686	0.2
160.11194	0.3
184.07402	0.6
222.12860	0.4
228.17554	0.3
230.15529	0.3
236.14417	0.5
244.20572	0.3
250.16008	1.1
255.06612	0.3
264.17508	0.3
272.20062	1.2
290.21149	0.4
324.26910	0.8
340.26416	0.8
368.25842	2.8
386.26880	1.6
404.27899	0.3
426.26736	0.2
442.29550	0.5
460.30426	1.6
461.29092	0.5
478.32892	1.1
490.33542	0.4
508.34274	5.4
548.37708	0.5
564.36890	5.2
565.37146	0.3
726.42126	100.0
727.42670	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	725.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07824	1.7
53.03936	4.1
55.01849	2.9
55.05510	19.4
57.03206	2.0
57.03440	16.2
61.02924	2.3
65.03931	3.0
67.05508	61.0
69.03421	2.2
69.06764	2.1
69.07069	20.9
71.04974	4.8
71.54919	1.9
79.05488	37.0
79.97974	1.8
81.07057	100.0
83.04964	5.2
83.08609	12.1
84.40231	1.7
85.06537	5.9
91.05482	32.3
93.07048	41.6
95.04964	6.4
95.08608	46.5
97.06526	8.4
97.10164	3.4
99.08111	4.4
105.07033	35.5
107.08587	21.0
109.06537	3.6
109.10139	12.3
113.06023	2.4
116.77198	2.1
117.07011	4.3
119.08594	31.5
121.10136	26.8
123.08054	4.7
123.11718	27.0
127.07548	2.3
131.08577	8.4
133.10146	9.8
135.11674	9.1
137.13231	3.0
145.10133	5.4
147.11684	59.9
149.13304	5.6
157.10124	3.9
159.11714	4.9
161.13240	3.1
165.12769	20.4
173.13271	5.2
179.03610	1.9
183.13722	3.5
184.07230	3.7
193.12210	2.3
229.14270	5.6
243.21126	3.6
261.22137	16.2
266.69000	2.1
267.15909	86.6
285.16965	63.1
317.24985	3.8
332.12357	2.2
335.25830	91.4
440.70416	2.1
512.02301	2.3
527.37073	6.9
545.30377	3.8
545.38287	48.3
546.38593	3.7
725.49719	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	725.4473
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
53.03951	4.3
55.01880	5.2
55.05513	16.6
57.03445	10.7
57.07075	2.7
60.10267	1.2
63.46439	1.1
65.03934	3.2
67.05510	57.0
69.03431	1.3
69.07073	18.8
70.11114	3.1
70.11515	1.9
71.04994	4.3
75.07839	1.0
79.05497	37.8
81.03421	1.7
81.07059	100.0
83.04984	8.3
83.08626	10.0
85.06549	4.1
87.04467	1.7
90.18903	1.1
91.05486	31.0
93.07050	36.6
94.26616	1.1
95.04997	5.3
95.08612	41.6
97.06557	6.0
97.10142	1.2
98.06052	1.1
99.08106	3.2
105.07033	34.7
107.08597	24.7
109.06552	6.1
109.10153	11.2
111.08109	2.6
112.08391	1.0
117.07014	4.5
119.07755	0.7
119.08582	27.3
121.10144	26.1
123.08083	3.5
123.11707	29.6
125.09628	1.1
127.07598	3.1
129.07025	1.7
131.08543	5.9
133.10129	6.6
135.11731	7.3
137.13261	3.8
141.09068	1.5
144.99896	1.2
145.10101	6.1
147.11693	64.8
149.13272	3.7
157.10124	2.3
159.11662	2.4
161.13284	2.7
163.14836	1.7
165.12767	27.1
167.14407	1.0
175.11214	2.2
183.13797	3.6
187.14861	1.8
193.12154	1.1
194.83762	1.0
202.92885	1.1
229.14297	6.8
233.22679	1.2
243.21129	5.7
261.22107	12.9
267.15927	96.2
285.16977	55.9
285.20221	1.5
286.17322	1.9
317.24850	2.6
335.25800	58.5
336.26175	2.6
376.94061	1.2
437.87137	1.2
453.33618	2.9
471.34641	3.1
483.05402	1.2
527.37341	7.9
545.38397	75.1
546.38495	1.5
551.04810	1.3
725.45837	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
57.03460	1.3
57.07065	2.2
61.02932	3.4
67.05503	2.1
69.03437	2.3
69.07051	0.7
69.31227	1.4
69.31630	4.1
71.08633	2.0
73.02916	3.8
79.05508	0.7
81.03449	1.0
81.07056	4.5
83.08662	0.7
85.02893	4.4
85.10182	1.1
87.04477	1.1
91.03973	2.3
91.05484	1.1
93.07058	0.8
95.08615	3.2
97.02888	4.1
98.21574	0.9
99.04464	0.6
101.02388	1.7
103.03940	0.8
105.07051	1.6
107.08599	0.5
109.02889	0.8
109.10167	1.0
115.03989	0.5
119.08611	1.0
121.10160	0.9
123.11732	1.9
127.03931	1.1
129.53653	0.6
137.54979	0.6
147.11665	3.8
165.12816	1.3
185.04265	1.1
203.05280	0.7
243.08463	1.7
251.12721	1.6
307.15237	1.1
313.27365	1.0
356.83728	0.7
384.04675	0.6
425.21631	1.0
469.20425	8.3
497.30704	5.3
596.47772	1.2
681.45734	1.0
725.44482	100.0
726.44427	3.8
734.60364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44060	1.9
53.03946	3.4
53.10850	1.8
53.34987	2.2
53.53827	2.1
55.01877	3.1
55.05521	18.1
57.03443	13.0
57.07068	3.4
65.03963	2.9
67.05170	4.0
67.05512	58.1
69.03423	2.5
69.07069	22.7
70.21936	7.2
70.22278	2.0
71.05007	3.2
79.05499	37.9
81.03447	3.3
81.07066	100.0
81.91018	2.0
83.04984	6.2
83.08625	11.8
85.06550	3.0
86.09691	2.4
90.78666	2.3
91.05490	29.2
93.07051	41.5
95.04980	4.9
95.08612	45.2
97.06543	8.1
97.10188	3.2
99.08112	4.7
105.07042	37.9
107.08607	25.5
109.06520	3.8
109.10181	14.7
115.86787	2.1
117.07043	4.5
119.08585	27.6
121.10161	31.8
123.08090	4.5
123.11720	21.5
127.07607	3.7
129.06969	2.1
130.82520	2.0
131.08572	9.9
133.10152	9.7
135.11743	11.6
137.13261	4.2
145.10182	5.3
147.11694	63.6
149.13283	5.5
159.11722	2.3
161.13322	2.3
163.14864	2.5
165.12799	25.7
170.80534	2.0
173.13300	3.6
175.14818	2.4
183.13794	2.1
184.07385	7.0
229.14372	7.1
243.21091	5.8
261.22174	15.7
267.15936	91.7
285.16986	65.7
317.24829	2.5
335.25827	88.5
336.26254	2.5
527.37476	6.4
545.38434	52.9
725.49445	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	724.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01873	3.2
55.05515	2.8
57.03435	1.6
61.02927	1.6
67.05500	2.9
68.99797	1.1
69.02920	0.5
69.03053	0.7
69.03436	9.4
69.07072	4.3
70.06582	2.0
71.04999	4.7
71.57291	0.9
73.02930	3.0
76.23544	0.5
79.05513	3.4
81.03423	11.4
81.07068	7.2
83.04973	1.0
83.08599	1.5
85.02912	26.8
85.06545	1.2
86.09742	0.8
87.00832	10.9
89.06042	0.7
91.03985	1.3
91.05482	4.4
93.07064	6.3
95.04979	2.1
95.08614	10.5
97.02898	13.9
97.06515	0.9
98.97590	1.0
99.04465	6.5
99.08106	1.3
105.01884	10.0
105.07049	9.9
107.08607	11.3
109.02890	12.3
109.06499	2.1
109.10162	3.9
111.08132	0.7
113.09623	1.1
115.03984	1.0
117.01861	1.9
119.04950	1.1
119.08593	28.8
121.02901	0.7
121.06520	2.5
121.10146	5.3
123.04417	1.5
123.08056	0.8
123.11759	3.3
125.09612	0.7
126.39127	0.6
127.03929	21.8
129.01865	1.2
131.08572	2.4
133.10139	100.0
134.10477	1.2
135.11703	18.6
137.06027	3.4
137.09679	0.6
143.08556	0.9
145.04984	7.9
145.10101	1.7
147.02892	1.2
147.11713	4.0
149.09641	0.8
149.13193	0.6
151.07541	1.0
154.08682	0.7
157.10124	1.0
159.02917	5.7
159.11702	2.3
161.09581	1.6
161.13261	0.9
164.07085	0.7
167.07045	0.8
171.11728	1.9
173.13251	4.9
175.14839	99.9
176.15150	1.7
177.05473	0.8
177.12733	0.7
177.16370	4.0
178.08527	0.9
183.11703	0.9
185.13251	0.6
187.14818	1.0
189.12790	0.7
191.14322	1.3
193.15897	53.7
194.16196	0.8
199.14819	1.2
201.12772	0.9
203.14365	1.1
205.15894	0.9
207.06436	0.9
207.13846	0.7
213.03940	1.4
217.15938	3.5
223.14664	0.7
223.91586	0.6
229.15964	1.0
231.05000	5.6
231.08662	0.7
235.16971	3.1
241.16118	0.8
247.17047	0.7
249.06027	1.5
259.16995	1.1
277.18042	3.1
283.16919	2.5
296.12802	0.7
301.17987	1.9
348.07492	0.7
357.08209	0.7
387.17871	1.0
405.18878	2.6
423.20267	3.5
441.21167	2.2
523.27032	0.7
544.24359	0.7
724.23615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
53.48067	1.0
55.01872	2.4
55.05265	1.3
55.05511	19.5
57.03448	7.1
57.07058	3.3
65.03926	3.0
65.69751	1.2
67.05508	73.6
69.03434	7.8
69.07073	14.8
69.26333	10.7
69.96271	1.3
71.04993	20.7
71.08621	1.9
79.05495	40.8
81.03424	20.0
81.07059	100.0
83.04987	12.2
83.08632	10.0
85.02884	2.4
85.06557	6.2
91.05486	30.3
93.07050	41.4
95.04992	6.5
95.08614	34.9
97.02909	5.8
97.06532	6.2
97.10177	1.8
99.04447	2.0
99.08103	2.4
105.07038	23.7
105.07703	0.8
107.04951	1.5
107.08593	19.9
109.02866	2.8
109.06511	4.2
109.10168	14.1
111.04453	2.9
111.08083	1.7
117.07043	8.3
119.08595	12.8
121.06514	2.2
121.10146	17.0
123.08048	2.5
123.11714	11.3
127.03922	1.5
129.05530	5.7
129.06973	2.7
131.08553	11.9
133.10139	19.8
135.11711	10.4
141.06964	1.6
143.08517	2.5
145.10107	5.0
147.08179	1.3
147.11674	6.5
149.09583	1.3
149.13252	7.7
151.11197	5.4
155.08527	1.4
157.10120	3.2
159.11708	11.3
161.05986	3.1
161.13261	3.8
167.79907	1.2
169.10123	1.5
171.11633	2.9
173.04501	7.5
173.09683	1.6
173.13287	3.4
175.11200	2.2
175.14786	1.6
177.12752	4.2
179.14256	1.0
183.11743	1.1
183.13763	2.6
187.13332	7.7
195.13788	3.1
199.14665	1.9
201.14825	1.2
211.14738	1.8
213.14763	1.6
225.14828	2.0
227.16345	2.3
243.15895	3.7
257.17419	2.5
261.22067	4.1
267.15765	1.3
269.17465	7.6
275.60165	1.1
285.16916	1.5
301.20053	1.6
335.25818	31.8
339.18030	1.6
351.23489	1.7
369.24146	2.7
413.21600	2.3
445.24335	6.2
461.28586	2.1
485.36243	1.8
503.37341	41.6
505.38998	5.7
517.38599	3.9
529.38922	14.6
559.39923	1.4
561.41528	50.7
562.41754	2.0
637.40216	1.5
647.41406	1.7
673.43103	6.8
705.45624	10.7
706.46521	1.2
723.51086	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	723.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.4
55.05516	19.3
55.70909	2.6
57.03431	11.6
57.07080	4.0
59.97115	2.6
61.02912	3.9
65.03925	4.0
67.05173	4.4
67.05508	53.5
69.03445	5.3
69.07066	23.1
71.04990	8.3
71.52644	2.4
79.05496	44.3
81.03413	6.1
81.07064	100.0
83.04968	8.1
83.08615	11.0
84.97955	3.0
85.02903	8.2
85.06526	4.4
86.09735	3.8
87.04510	2.6
91.04967	4.2
91.05488	57.2
93.06478	3.8
93.07051	53.5
95.04946	6.1
95.08609	42.1
95.61685	2.8
97.02898	6.9
97.06547	7.0
99.08096	3.9
105.07038	64.6
107.08609	30.4
109.06523	6.9
109.10140	16.7
115.05478	3.1
117.07058	13.6
119.08594	62.0
121.10149	32.2
123.08043	8.6
123.11723	23.8
127.03988	3.7
127.07515	4.2
129.06999	11.0
131.08603	17.2
133.10139	32.8
135.11676	12.0
137.09651	3.3
137.13321	3.3
141.07022	3.3
143.08565	9.2
145.10115	20.0
147.11697	91.7
149.13292	8.6
155.08508	3.8
157.10135	13.1
159.11722	16.2
161.13271	22.7
165.12817	25.5
169.28473	3.0
171.11647	10.1
173.13275	8.5
175.11099	3.7
175.14833	11.2
183.13892	5.1
184.07347	10.2
185.13239	11.1
187.14812	4.8
189.12677	3.3
199.14760	4.5
213.16414	2.9
229.14351	10.0
231.21031	5.2
241.19478	24.8
241.63078	2.7
259.20618	54.0
267.15903	49.0
277.21576	5.2
285.14029	5.0
285.16992	71.4
304.37106	3.2
315.23154	3.8
320.16528	3.0
333.24252	46.1
342.16782	4.8
351.25372	6.6
385.23575	3.3
410.23196	23.5
445.22516	3.8
459.24255	6.4
482.11072	3.1
487.23495	7.7
489.35809	3.4
519.27124	3.0
525.35339	10.4
543.36768	34.5
561.37848	16.7
651.38452	8.3
656.38965	3.0
663.30322	10.8
669.39453	3.9
687.40338	3.7
705.41772	7.7
723.38672	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	723.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44497	0.3
53.03933	0.6
55.05511	1.4
57.03441	1.5
59.04984	0.3
61.02933	4.3
66.80798	0.3
67.05510	8.2
69.03436	2.9
69.07069	2.5
70.06594	0.5
70.97224	0.8
71.01368	0.4
71.04993	0.8
73.02927	3.1
79.05495	2.2
81.03408	1.8
81.07066	3.9
82.96880	0.3
83.04990	0.5
83.08629	0.9
85.02909	3.5
85.06552	0.4
86.09698	0.4
87.29057	0.3
91.03967	2.4
91.05486	2.2
93.07075	2.4
95.04971	0.5
95.08616	2.1
97.02910	3.6
97.06549	0.6
97.10181	0.5
99.04458	0.6
101.02388	1.3
105.07043	2.1
107.08604	1.4
109.02892	0.8
109.06541	0.5
109.10165	7.5
111.08086	0.4
115.03915	0.5
117.07075	0.5
119.08577	1.4
121.10157	0.6
125.09656	0.4
127.03925	1.3
129.05530	0.3
129.06975	0.3
131.08600	0.6
133.10161	1.0
135.11752	0.5
137.09590	0.4
137.50291	0.3
145.10103	0.8
147.11685	0.8
155.10709	0.7
159.11737	0.5
173.11766	1.8
185.04257	0.8
195.10039	0.9
201.03827	0.4
203.05301	0.4
229.14447	1.3
243.08434	3.0
251.12540	0.5
301.09015	0.6
313.09305	0.3
333.20459	2.1
347.31091	0.3
349.23926	0.4
359.23254	0.3
389.23270	0.5
413.17871	10.7
437.21152	0.4
439.19421	0.5
453.21204	0.6
485.20551	0.3
551.28406	4.6
621.92755	0.3
625.32440	0.4
654.89429	0.3
665.59204	0.3
723.39294	100.0
724.39545	4.2
754.99365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	0.4
59.78659	0.3
66.61369	0.4
67.05437	0.4
69.03352	0.7
69.51543	3.0
70.06516	0.8
79.05432	0.4
81.03304	0.6
81.06950	1.4
83.01041	0.7
85.02826	0.7
86.71715	0.4
91.05397	0.8
93.06963	0.7
95.08527	0.6
98.20777	0.9
103.05383	0.4
105.06957	0.6
107.00418	0.4
109.10049	0.5
111.04121	0.9
121.10072	0.7
127.03618	1.6
133.10088	0.5
136.12949	0.4
137.05878	0.8
137.06810	0.5
144.57256	0.3
145.09975	0.4
155.06779	0.8
170.20351	0.4
171.06165	1.1
175.22054	0.4
199.09335	0.8
207.06316	0.5
215.08762	0.6
259.11502	0.5
313.06931	0.6
317.15720	0.5
401.25052	0.9
415.26520	1.2
457.31516	2.2
473.30954	2.8
475.32385	11.4
503.31903	17.5
517.33447	4.5
529.32556	0.5
559.34204	0.8
603.37006	0.4
619.36591	16.0
637.37665	45.2
638.38031	1.5
679.38715	67.1
680.38849	2.3
723.37714	100.0
724.37915	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	723.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
56.96525	0.3
61.02907	0.3
67.05454	0.9
69.03395	0.4
69.07042	0.3
70.06557	0.6
70.19057	1.1
79.05450	0.5
81.03410	0.5
81.07014	0.9
83.01055	1.0
83.04915	0.4
83.08591	0.5
85.02880	0.9
91.05442	0.5
93.06995	0.7
95.08572	0.6
97.02866	0.6
98.20733	0.3
105.06988	0.7
107.08546	1.0
109.10101	0.7
111.04157	1.0
113.09690	0.4
115.05394	0.3
119.08558	0.5
121.06522	0.4
121.10120	0.6
121.41576	0.3
127.03738	1.7
133.10045	0.5
135.11656	0.3
137.05952	0.7
145.10023	0.3
149.13173	0.3
155.06761	1.0
165.09073	0.4
171.06313	1.0
184.07323	0.3
199.09416	0.7
215.08908	0.4
243.11809	0.4
259.11621	0.7
263.86716	0.3
264.11078	0.3
268.10974	0.3
285.10190	0.4
317.15692	0.5
387.23569	0.7
401.25189	0.8
415.26630	0.9
429.28961	0.4
457.31335	2.4
473.30875	2.7
475.32431	10.1
476.32617	0.4
503.31891	16.6
504.32272	0.4
517.33496	4.2
547.35345	0.4
603.36908	0.6
619.36725	12.8
620.36963	0.4
637.37720	41.3
638.37933	1.2
679.38757	66.9
680.38879	2.3
723.37744	100.0
724.38385	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	723.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42804	0.2
56.96565	16.3
62.90907	0.2
67.05506	0.3
67.18497	0.2
67.51321	0.2
69.98340	1.2
71.95275	1.9
72.96027	1.4
74.72163	0.2
74.97580	0.3
81.07008	0.3
84.96029	0.5
93.91232	0.2
97.96822	0.4
98.21480	0.4
110.97595	0.7
115.00677	0.3
115.95286	0.2
119.01704	0.5
124.99157	0.3
133.10124	0.3
137.02737	0.7
137.05931	0.4
139.00600	0.7
141.02255	1.3
153.02280	0.6
155.03773	0.5
157.01723	0.4
159.03261	1.0
165.09117	0.2
166.91035	0.2
167.03812	0.5
169.01759	0.3
171.03299	1.1
173.04843	0.4
175.02829	0.4
177.04285	0.3
181.01688	0.6
183.03297	0.4
185.01218	0.7
185.04863	1.0
189.04327	0.9
199.02728	1.2
199.06464	0.5
203.02338	0.5
203.05920	0.8
211.06468	1.1
213.08040	0.4
217.03847	0.7
221.08534	0.3
223.10004	6.7
229.07547	0.4
231.06938	0.4
237.07945	0.9
241.11108	66.0
242.11520	0.7
243.09048	0.2
249.08063	1.6
255.09100	0.5
256.00693	0.2
259.12180	53.9
260.12607	0.6
261.12680	0.3
264.12720	4.2
265.13187	0.3
267.09009	12.4
277.13150	0.5
279.91528	0.2
282.13791	2.6
285.10089	44.8
286.10416	0.7
303.11148	19.0
304.11395	0.4
308.11713	3.4
326.12817	1.2
393.79419	0.2
402.05746	0.2
451.23642	0.4
477.22125	0.3
495.22650	100.0
496.23026	2.9
517.49078	0.3
536.25342	1.0
574.89417	0.3
713.07983	0.2
723.38354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90290	0.2
59.19874	0.3
69.98241	0.2
70.06584	0.5
71.56561	0.3
79.05471	0.2
85.34396	0.2
91.05477	0.6
97.06513	0.4
105.07096	0.3
107.04944	0.9
108.05732	0.5
108.97683	0.2
115.05448	3.9
118.06563	0.3
119.04929	0.4
121.06510	0.3
129.06969	0.3
135.04408	0.3
135.06812	0.3
136.05208	1.1
137.05986	3.0
139.07524	0.2
142.10620	0.2
143.04927	17.3
151.07544	24.5
152.07939	0.4
160.05219	1.5
163.06285	6.4
163.07605	0.5
165.09132	0.9
174.06808	0.7
175.07555	14.3
177.05405	0.2
178.08633	100.0
179.08955	1.0
189.09038	1.2
207.07994	0.3
221.09514	0.3
222.10396	0.5
235.07721	0.3
238.09882	0.4
238.12242	0.2
241.92313	0.2
249.09138	0.4
250.09949	0.7
253.12233	1.0
255.06520	0.4
266.09329	0.4
267.10172	0.7
281.11804	1.9
282.12527	0.8
298.11902	0.4
313.14343	4.8
330.16992	72.7
331.17291	1.7
386.85333	0.2
421.90466	0.2
432.96320	0.3
722.31531	0.3
731.49902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05513	1.5
57.03439	0.4
57.07079	0.5
67.05505	3.4
69.07055	0.7
69.29266	3.7
74.10538	0.4
79.05498	4.8
81.07059	3.5
83.05014	0.5
91.05500	2.9
93.07048	4.0
95.05014	0.7
95.08610	1.8
105.07025	2.4
107.08620	1.2
112.66464	0.4
112.99982	0.5
117.07016	0.5
119.08599	1.0
121.10165	0.8
129.07059	0.7
131.08566	0.6
133.10172	0.6
135.11752	0.4
143.08578	0.5
145.10129	0.8
147.11757	1.3
151.13831	0.4
161.05972	0.5
171.11754	0.7
185.47714	0.4
199.05573	0.4
207.13821	0.8
261.22165	0.4
261.88644	0.4
275.19949	0.6
281.17603	2.3
335.25919	2.1
477.22214	0.5
541.38995	5.2
609.45215	1.7
623.28357	1.2
624.19348	0.6
624.28253	2.7
721.50757	100.0
722.51184	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	721.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.7
53.04351	1.4
55.01875	5.1
55.05256	2.4
55.05514	25.3
57.01910	1.4
57.03447	12.1
57.07077	3.7
61.02922	3.7
61.77586	1.3
62.13049	1.4
65.03954	4.1
67.05508	74.7
69.03433	18.3
69.07072	25.6
71.04995	29.7
73.02916	2.3
77.03956	1.9
79.05496	54.6
81.03416	34.7
81.07061	100.0
83.04990	12.0
83.08628	13.6
85.02905	8.2
85.06541	10.4
87.04466	2.2
87.46098	1.5
87.90582	1.6
89.06036	1.7
91.05488	54.9
93.07047	47.5
94.24245	1.6
95.01347	2.0
95.04984	7.7
95.08614	39.1
97.02898	13.1
97.06526	8.9
97.10178	5.2
99.04465	5.0
99.08083	2.8
101.02370	1.5
103.05434	1.8
105.04521	1.6
105.07037	48.5
107.04960	4.6
107.08601	32.5
107.09296	2.6
109.02865	7.8
109.06531	4.3
109.10157	15.5
111.04491	3.3
111.08091	5.0
113.06007	2.2
115.05443	2.5
117.07019	19.2
119.08594	33.0
121.06514	2.1
121.10146	21.1
123.08083	2.2
123.11711	13.6
125.09668	1.8
127.03928	5.8
128.06226	4.1
129.05508	2.7
129.07010	16.6
131.08577	34.7
133.06453	2.4
133.10136	29.9
135.08066	3.7
135.11674	13.4
137.09644	3.3
139.11157	2.0
141.07013	5.9
142.07814	2.7
143.08585	15.3
145.06546	2.0
145.10143	23.4
147.11714	22.3
149.06085	1.5
149.09642	3.4
149.13275	7.7
151.11205	6.9
153.12776	2.1
155.08563	9.7
157.06570	1.8
157.10129	16.8
159.11708	25.0
161.09653	2.1
161.13239	14.4
163.11218	2.6
163.14832	2.3
165.12781	3.7
167.08643	2.8
169.10129	9.1
169.12291	2.6
171.08055	3.9
171.11674	16.1
173.04475	15.0
173.13268	12.9
175.11247	5.4
175.14842	5.4
177.12753	4.2
179.08525	2.6
181.10135	7.0
183.08118	1.7
183.11699	11.9
183.13138	1.5
183.13635	1.2
185.09612	2.4
185.13213	9.6
187.11186	1.8
187.13304	5.3
187.14857	4.0
189.12874	2.1
193.10287	2.8
193.12216	4.6
195.11725	6.1
195.13779	2.0
197.09619	1.9
197.13329	5.2
199.14830	5.9
201.12764	2.1
201.14850	3.2
201.16525	2.5
209.13295	4.3
211.11522	1.6
211.14871	3.7
213.16595	2.0
217.15938	2.0
219.11763	1.7
221.13364	2.5
223.14915	3.3
225.14853	2.5
227.16408	3.5
229.11375	1.5
231.13750	1.7
233.13374	2.0
237.16518	1.9
237.83513	1.6
239.17981	2.9
241.19659	7.9
243.15945	5.7
243.21101	3.3
251.18011	1.8
257.17291	2.2
257.19379	2.3
259.20761	12.1
261.22192	4.1
269.17572	4.2
273.18549	1.8
275.20120	2.8
285.22238	2.8
289.21875	1.6
299.18726	2.8
301.20163	2.7
313.21695	2.7
315.23309	3.7
323.24014	1.6
327.23465	2.4
333.24359	10.8
335.25980	7.0
339.18170	2.2
339.23062	2.0
351.23331	4.8
367.22644	4.8
369.24319	3.4
385.23926	2.5
393.31833	1.6
409.30695	3.1
411.32498	2.1
413.21722	2.7
435.32523	4.1
441.26559	2.0
443.18097	1.6
445.24475	4.4
459.27643	3.2
485.36227	4.4
501.35773	25.5
503.37366	45.1
509.36087	4.4
527.37408	41.9
527.45471	2.2
529.38550	2.0
533.38342	4.5
545.38556	2.2
557.38275	2.7
559.39722	6.4
569.38098	1.8
581.38416	2.2
609.37683	2.5
635.39362	7.0
653.40460	5.9
655.42542	2.0
667.41962	9.0
671.41785	8.3
685.41943	6.8
689.42737	12.5
703.43396	7.3
721.45087	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	721.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01881	1.0
55.05517	2.2
57.03437	2.0
57.07067	0.5
61.02938	4.1
62.42649	0.5
64.10072	0.4
65.03946	0.7
67.05511	9.7
69.03442	2.6
69.07072	2.6
71.04984	1.3
73.02929	3.3
79.05495	3.7
81.03419	2.8
81.07066	5.0
83.04987	0.7
83.08629	1.3
85.02912	4.0
86.09718	0.5
87.04501	0.7
91.03969	2.8
91.05476	3.2
93.07040	3.0
95.04982	1.0
95.08624	2.6
97.02902	4.2
97.10168	1.1
98.20638	0.8
99.04479	0.8
101.02401	1.5
105.07047	1.9
107.04967	0.9
107.08606	2.0
108.34927	0.4
109.02916	1.1
109.10160	7.8
109.10844	0.8
109.51035	0.4
111.08089	0.6
115.04103	0.5
117.07025	0.9
119.08546	2.3
121.10160	1.5
123.11732	0.6
125.09642	1.1
127.03938	1.9
129.07025	1.0
131.08609	0.9
133.10144	1.3
135.08112	0.7
137.09668	0.8
143.08578	0.5
144.93420	0.4
145.04930	0.5
145.10173	0.9
147.08078	0.4
147.11723	0.6
149.02339	0.5
157.10150	0.9
159.11757	1.3
163.11227	0.6
171.11742	0.5
173.11777	1.8
173.13228	0.4
185.04259	0.8
193.05066	0.9
195.09953	0.7
203.05333	0.9
223.13396	1.2
229.14427	1.0
243.08383	2.8
246.14948	1.5
256.26398	0.6
266.09302	0.5
275.20184	0.8
291.19562	2.0
331.18814	1.3
335.26056	0.7
387.21689	0.6
413.17844	10.3
503.37244	1.1
541.35498	0.9
549.26910	4.3
721.37677	100.0
722.38135	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	720.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01870	1.7
55.05520	10.4
57.03443	14.4
57.07078	32.9
60.46068	1.1
61.02914	3.7
67.05175	1.9
67.05507	26.9
67.16315	1.1
69.03442	1.7
69.07072	17.5
69.56001	7.9
71.04977	3.8
71.08632	24.3
71.91460	1.1
79.05488	11.0
80.76894	1.1
81.07062	76.4
83.04974	5.1
83.08624	16.4
85.02903	3.6
85.06551	5.7
85.10184	12.9
91.05483	20.3
93.07040	10.9
95.04970	2.0
95.08609	28.3
97.02891	1.2
97.06524	5.5
97.10160	5.2
99.08081	4.1
101.05993	1.7
103.07591	1.6
105.07035	29.8
107.08613	9.6
109.06491	3.3
109.10145	8.9
111.21417	1.5
119.08586	21.4
121.10132	16.1
123.08056	3.6
123.11714	28.4
127.07574	1.6
131.20094	1.2
133.10054	1.6
137.13234	3.7
145.10129	1.6
147.11693	59.2
165.11398	1.7
165.12758	23.4
175.11243	2.8
214.89464	1.1
229.14337	4.9
239.23621	2.5
257.24728	2.4
267.15918	84.3
268.16382	1.5
285.16974	93.5
313.27362	100.0
314.27716	2.3
331.28311	2.5
341.67712	1.2
378.82977	1.2
433.19852	1.3
476.21896	2.7
523.39966	97.0
524.40198	3.7
536.23419	2.2
611.58380	1.6
622.27155	3.4
623.28253	12.1
715.59424	1.4
720.48834	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.05519	5.8
57.03426	1.0
57.07061	2.6
61.02915	1.1
65.03934	1.6
67.05508	9.2
69.03416	2.2
69.07071	13.2
70.06577	1.0
71.01354	1.1
71.08628	0.9
76.95806	0.7
79.05482	6.4
81.03429	1.1
81.06586	1.0
81.07063	19.2
83.04984	1.1
83.08627	9.0
84.08106	0.7
85.02892	2.3
89.06029	3.0
89.14482	0.7
91.04909	1.1
91.05479	22.3
93.07053	12.9
95.04966	1.1
95.08615	35.5
97.02901	2.6
97.10168	2.8
99.04472	1.0
105.07036	14.2
107.08603	25.2
109.06518	1.7
109.10163	27.1
111.08073	1.7
111.11714	2.0
113.05230	0.7
115.05493	0.8
117.07007	2.4
119.04951	10.3
119.08586	24.1
121.06551	1.2
121.10155	19.8
122.10506	0.7
123.04480	2.6
123.08118	1.0
123.11719	13.0
124.05217	8.8
124.99997	0.8
127.03917	1.8
131.04939	0.9
131.08582	2.9
133.08598	2.0
133.10136	19.8
135.04387	1.7
135.11714	20.6
136.05238	1.3
137.05988	100.0
137.13275	3.6
138.06348	1.2
143.08620	0.7
145.06505	2.0
145.10158	4.2
147.04446	1.0
147.08026	0.8
147.11688	16.2
149.06053	1.0
149.13278	8.3
151.14819	0.9
153.07883	1.6
154.08641	27.8
157.10114	1.2
159.11700	6.3
161.05989	1.9
161.13278	15.9
163.03946	1.1
163.07538	3.3
163.14822	7.8
164.07095	1.7
165.16566	0.7
173.13264	4.6
174.18413	0.7
175.14832	12.3
177.09105	0.9
177.11189	1.1
177.16414	9.1
179.14342	1.1
179.17853	0.7
184.07358	1.6
187.07626	1.0
187.14842	4.5
189.05524	2.2
189.16396	17.7
191.07036	24.9
191.14464	1.1
191.17970	15.6
191.19601	1.3
196.10484	0.6
201.16371	5.8
203.17970	15.0
203.19780	1.3
205.08646	2.0
205.19533	4.0
207.17464	11.5
208.09740	1.8
213.16432	0.9
215.07030	0.8
215.18050	3.6
217.19527	19.4
218.08209	0.9
219.06645	1.0
219.21072	1.0
221.19115	0.9
227.17966	1.0
229.19612	2.8
231.21141	2.9
233.06108	0.7
233.08072	3.8
233.19110	0.8
243.21172	2.1
245.22713	3.0
246.14987	1.9
247.12088	0.7
250.10811	1.5
252.08849	0.8
255.06532	1.2
255.21230	1.0
257.22723	1.4
260.09128	1.5
261.07611	17.1
261.22818	0.7
269.22678	1.2
271.24295	2.0
278.10245	31.6
279.08749	2.2
283.17545	1.0
285.25714	1.8
296.11307	20.2
296.14487	1.3
297.11670	0.8
297.25745	0.9
337.28894	0.9
401.58389	0.7
407.36798	12.1
425.37808	29.4
512.30096	2.8
517.91504	0.9
541.39453	1.2
702.47345	11.1
720.28925	1.5
720.48480	28.2
721.49048	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67188	0.1
53.41993	0.1
65.03952	0.1
70.06595	0.2
77.12685	0.1
77.48399	0.1
80.06283	0.1
91.05511	0.8
95.04964	0.1
97.02885	0.2
97.06541	0.2
105.07084	0.3
107.04955	1.1
108.05733	0.5
109.02853	0.1
115.05459	3.7
117.07034	0.2
119.04922	0.5
121.06490	0.2
124.05249	0.2
129.06993	0.2
130.06538	0.1
131.04991	0.2
133.06493	0.2
133.10068	0.1
134.06024	0.2
135.04448	0.4
135.06824	0.3
136.05203	1.4
137.05989	2.7
139.07538	0.4
143.04929	19.0
144.05565	0.4
145.06499	0.1
150.06789	0.3
151.07549	24.0
152.07899	0.2
158.07382	0.3
160.05206	1.6
160.07588	0.2
161.06036	0.2
163.06296	6.7
165.09135	0.9
174.06787	0.5
175.07561	14.6
176.08119	0.1
178.08640	100.0
179.08990	1.4
189.09114	1.4
192.10233	0.2
195.08025	0.1
206.07310	0.1
206.15469	0.1
207.08008	0.2
209.09663	0.1
221.09671	0.3
222.10445	0.7
223.07439	0.2
224.16446	0.2
225.09193	0.1
235.07750	0.3
237.09142	0.1
238.09938	0.5
239.10654	0.2
249.09099	0.5
250.09865	0.7
251.10468	0.2
253.12265	1.3
266.09375	0.4
267.10178	0.8
281.11716	1.8
282.12466	1.1
283.09641	0.5
285.11526	0.2
298.11899	0.4
313.14343	5.6
330.16998	71.9
331.17316	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.3
53.03934	0.5
55.01861	0.3
55.05305	0.3
55.05510	3.1
57.07056	1.2
59.04982	0.3
61.02899	0.3
61.53220	0.3
62.08165	0.3
65.03946	1.8
65.81739	0.3
67.05504	6.1
69.03419	1.0
69.07072	5.4
69.98868	1.4
70.06586	0.5
71.01358	0.8
71.08611	0.4
77.03926	0.4
78.46455	0.3
79.05496	3.5
81.03392	0.5
81.07059	12.5
83.01373	0.3
83.08616	3.5
85.02901	0.7
85.06526	0.4
89.06013	0.3
91.05483	22.8
93.07045	8.3
95.04996	0.7
95.08610	22.8
97.02885	2.0
97.06544	0.5
97.10173	2.0
98.21464	0.6
99.04382	0.3
103.05439	0.3
105.07033	10.4
106.12210	0.3
107.04961	1.0
107.08595	16.9
108.08876	0.4
109.06514	1.5
109.10155	18.5
111.08074	1.0
111.11696	1.0
114.99641	0.3
117.07022	1.5
119.04946	12.6
119.08581	14.5
121.06537	0.6
121.10146	14.0
123.04397	0.7
123.08080	0.4
123.11702	7.4
124.05206	4.0
125.09641	0.4
127.03910	0.8
129.07062	0.3
131.08574	1.7
133.06494	0.4
133.10130	13.5
135.04407	1.2
135.08083	0.3
135.11696	13.8
136.05219	0.6
137.05977	100.0
137.13252	2.4
138.06302	1.1
142.54834	0.3
143.03358	0.3
143.08606	0.5
145.06499	0.8
145.10127	3.4
147.04388	1.1
147.07977	0.5
147.11694	9.4
149.13261	5.8
151.11154	0.7
151.14890	0.6
153.07843	1.1
154.07349	0.4
154.08632	11.6
157.10132	1.0
159.11696	3.7
161.05988	1.2
161.13263	12.0
162.06741	2.0
163.03900	0.9
163.07584	1.2
163.14812	5.5
164.07080	0.8
165.12762	0.4
171.11740	0.8
173.06055	0.3
173.13254	3.7
175.14830	9.2
177.09018	0.4
177.16382	5.5
179.14330	1.0
179.17975	0.8
182.53703	0.3
185.13234	0.5
187.07484	0.4
187.14809	3.1
189.05493	0.4
189.16383	12.2
191.07034	6.1
191.17947	11.1
199.14851	0.4
201.16393	3.9
203.17949	9.4
205.08614	1.4
205.19496	3.9
207.06442	0.3
207.17445	7.1
208.09689	0.6
213.16479	0.5
215.07063	1.0
215.17970	2.9
217.19511	12.6
219.06616	0.4
219.21156	0.6
221.19037	0.5
227.18010	1.1
229.19543	3.4
231.21066	2.0
233.08070	8.2
234.08249	0.3
235.06018	0.4
241.19496	0.6
243.21092	1.4
245.22641	1.4
247.20409	0.4
250.10754	4.1
252.08801	0.7
255.21045	0.5
257.22687	1.1
261.07584	19.9
269.22708	0.9
271.24203	1.7
278.10236	27.7
279.08551	1.9
285.25812	0.6
296.11298	10.4
297.25735	1.4
311.27066	0.4
315.26978	0.8
337.28909	0.3
365.31961	0.5
407.36722	7.3
408.36597	0.5
425.37781	14.7
426.37943	0.4
498.28577	0.6
512.29852	3.1
606.91315	0.3
696.49066	0.3
702.47357	7.6
720.48358	24.0
721.48132	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	0.6
55.05516	1.9
57.07078	55.9
58.07426	0.5
59.04703	0.8
59.05002	14.7
67.05503	1.0
69.03432	0.4
69.07066	1.7
71.05014	0.4
71.08634	55.5
71.56206	0.6
73.02921	1.1
73.06567	4.3
79.05495	0.5
81.07060	0.9
83.08620	1.8
85.10185	48.2
86.10509	0.7
87.04472	16.0
89.06035	100.0
90.06366	0.5
91.05468	1.1
91.07595	1.2
93.07073	0.7
95.08611	0.5
97.10168	0.8
99.11736	4.3
103.07588	6.7
105.07056	0.4
107.07080	2.3
107.08592	0.4
109.10165	0.6
111.11727	0.6
113.06030	0.6
115.07560	0.4
115.81587	0.4
117.09138	4.9
118.69308	0.3
119.03947	0.3
127.14827	0.9
130.08646	3.6
131.07053	6.2
133.08609	75.3
134.08995	0.4
135.10165	0.5
137.05969	0.7
141.16388	4.3
161.11739	1.5
167.98051	0.4
175.09669	6.1
177.11232	33.5
178.11676	0.4
185.18976	1.4
195.12242	0.5
199.20584	5.7
219.12254	1.9
221.11803	0.6
221.13841	7.6
223.15384	1.2
230.15431	0.5
239.14893	1.3
243.23203	5.6
265.16406	2.3
267.17923	0.6
283.17484	2.5
287.25629	0.4
309.18985	1.7
327.20078	1.2
353.21588	0.8
357.02136	0.4
371.22668	0.8
397.24191	1.1
415.25250	1.4
441.26877	0.7
459.28198	1.9
485.29333	0.5
503.30573	8.5
504.31241	0.4
543.33545	1.9
656.44458	0.8
700.46100	0.6
701.50787	2.1
718.52161	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	718.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
53.61931	0.6
55.01881	4.0
55.05261	1.2
55.05513	15.4
57.03183	0.9
57.03441	9.7
57.07055	1.6
59.05001	4.7
61.02923	3.5
65.03934	3.6
67.05508	100.0
69.03439	5.7
69.07072	17.5
69.95829	2.9
71.01372	0.8
71.04989	4.2
73.02913	1.5
76.81754	0.6
79.05495	23.3
81.03425	6.5
81.07061	36.6
83.05000	4.2
83.08620	12.0
85.02901	6.5
85.06546	4.6
87.92336	0.6
91.03989	1.5
91.05482	23.7
93.07048	22.7
95.04967	5.1
95.08612	16.9
95.09227	0.6
97.02878	4.2
97.06535	8.1
97.10172	9.5
99.04485	1.2
99.08108	1.4
105.07036	15.0
107.04965	4.5
107.08601	22.1
109.02861	1.5
109.06538	2.7
109.10159	75.7
111.04443	0.8
111.08083	5.7
113.06049	0.7
113.09668	0.8
115.05492	0.9
117.07005	6.8
119.08588	17.7
121.06544	2.5
121.10147	7.6
123.08107	1.8
123.11710	1.4
125.09640	7.7
127.03920	3.0
129.07021	2.9
131.08572	9.8
133.10141	12.6
135.08089	3.2
135.11725	5.9
137.09598	5.0
143.08586	2.6
145.05060	0.9
145.06456	0.8
145.10121	10.5
145.11140	0.9
147.08061	0.9
147.11702	6.6
149.02357	3.4
149.09637	8.3
149.13278	4.4
153.09195	0.9
155.08649	1.3
155.10683	5.4
157.10181	2.0
159.11700	6.5
161.09625	0.8
161.13246	3.5
163.11151	3.8
169.10033	1.1
171.11737	2.0
172.26523	0.6
173.11777	21.3
173.13310	3.8
177.12856	2.5
179.14317	1.5
180.99646	0.6
181.12288	0.8
183.11700	1.5
185.13382	1.1
187.11293	1.2
187.14876	0.7
189.11269	5.3
189.12785	1.2
191.14420	0.8
193.04996	4.8
194.15514	0.7
195.13861	1.8
197.13303	1.0
198.06473	0.6
199.14827	0.9
202.23004	0.7
211.13277	0.8
227.10556	1.4
227.12788	22.1
229.14360	75.8
229.19424	1.7
237.07716	1.6
239.18051	2.8
245.14001	0.7
247.20691	0.8
253.18108	1.0
255.16019	2.5
257.19037	8.1
259.20569	0.9
269.17450	7.8
275.20102	25.9
291.19620	0.6
293.21103	2.9
321.24463	1.4
325.20184	2.5
331.22806	2.6
341.06821	1.2
349.23761	25.6
349.28082	1.3
359.07715	1.1
383.24445	3.2
385.09357	2.1
388.63440	0.6
399.23828	8.4
403.10583	0.6
407.27908	2.4
409.25830	12.8
413.21829	0.8
423.27454	43.4
424.28201	0.9
429.11749	6.0
440.30621	1.1
463.30759	1.1
485.32764	2.0
503.33713	50.5
504.33893	1.2
521.34680	7.7
521.41833	0.7
567.32117	2.0
700.46722	0.8
718.38080	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	718.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01873	3.5
55.05514	34.9
57.03435	2.2
57.07083	17.6
59.05005	6.3
61.02922	3.5
67.05506	4.0
68.99793	1.4
69.03432	9.5
69.07072	52.8
69.45345	1.5
69.45748	7.5
70.06592	1.8
71.04997	2.5
71.08640	3.3
73.02905	3.1
79.05506	2.3
79.37122	1.1
81.03416	13.8
81.07063	7.5
83.04985	1.9
83.08624	100.0
85.02907	23.9
85.06548	1.3
86.09704	1.7
87.00831	11.0
87.04460	3.0
88.25616	1.3
89.06039	59.8
91.03954	1.9
91.05461	4.2
93.07059	2.5
95.04971	2.3
95.08611	4.8
97.02886	9.8
97.10174	29.0
98.21423	2.5
99.04453	4.9
103.07586	2.2
105.01862	4.4
105.07013	2.5
107.07088	1.4
107.08595	2.0
109.02888	13.3
109.10152	3.0
111.04475	2.8
111.08057	1.5
117.09157	1.6
119.08571	2.4
121.06487	1.3
121.10155	2.5
123.04436	1.6
123.11732	1.7
125.13285	2.5
127.03922	19.5
131.07045	1.5
133.08617	52.3
135.11734	2.2
137.06003	3.1
137.13216	1.6
139.14865	1.4
141.12767	1.5
143.14331	9.9
145.04958	3.2
147.10229	1.5
149.06010	1.9
151.09708	2.1
157.15895	17.2
159.02913	4.3
167.49889	1.2
175.09677	2.3
175.16925	3.8
177.11258	15.1
177.12711	2.0
195.12265	5.2
201.18480	2.6
213.03986	2.8
215.20110	4.2
221.13843	9.7
231.05009	1.5
235.15387	2.3
239.14906	29.0
253.16551	3.3
259.22818	7.2
277.40204	1.1
279.18091	8.6
283.17523	6.6
284.06622	2.4
287.11624	1.7
297.19000	6.9
313.07004	4.6
314.07355	4.6
435.33020	3.6
453.34262	73.2
454.34872	1.9
455.43228	1.5
472.53271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01870	1.7
55.05513	16.7
57.03440	2.7
57.07080	15.8
59.05003	6.5
61.02922	1.6
65.03960	0.6
67.05496	3.5
68.43271	0.5
68.99799	0.9
69.03431	9.2
69.07071	100.0
70.07428	0.9
70.55997	1.5
71.04987	1.5
71.08625	0.8
73.02919	1.7
73.06570	0.7
74.06857	0.5
79.05503	0.9
81.03423	13.7
81.07065	5.5
83.04990	2.0
83.08621	45.7
85.02908	19.6
85.03433	0.8
85.06534	0.6
87.00831	8.1
87.04485	1.9
89.06036	29.8
91.03944	0.6
91.05486	1.6
93.07063	1.1
95.04977	3.0
95.08608	2.5
97.02897	7.3
97.10165	3.5
99.04464	4.1
103.04006	0.6
103.07583	1.1
105.01878	4.7
105.07058	0.7
107.07089	1.3
107.08564	0.7
109.02882	12.7
111.04457	2.7
113.05984	0.5
117.01893	1.1
117.09154	1.5
119.08583	0.5
121.06530	1.1
121.10167	0.5
123.11728	1.7
125.06037	0.6
125.13284	5.9
127.03924	13.0
129.01857	1.3
130.08696	0.6
130.80119	0.5
131.07120	1.2
133.08603	14.9
133.10135	0.9
135.03667	0.4
137.06000	1.1
137.13338	0.5
141.12759	5.3
143.14314	21.1
145.04970	3.4
147.02878	0.9
147.10117	3.0
149.06056	0.8
151.07594	0.9
159.02876	3.0
161.15404	4.6
167.07094	1.6
175.09697	1.2
177.11235	15.0
185.08163	1.2
189.04033	0.7
191.12767	1.0
193.14462	0.5
195.12276	12.7
195.13902	0.8
201.18507	23.7
213.03944	3.5
219.19598	1.4
221.13925	0.5
231.04970	2.5
235.15401	9.7
235.17595	0.6
239.14975	1.6
242.84959	0.4
251.16403	0.6
253.16455	10.1
255.06651	0.5
259.22699	16.8
269.17575	1.0
279.18253	0.7
289.09354	1.9
293.19601	5.4
297.19162	1.0
311.20746	1.7
356.76736	0.5
413.21518	0.6
435.32999	2.8
453.34259	42.5
454.34827	1.2
546.14844	0.5
561.57031	0.5
597.88885	0.5
718.43188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01874	0.9
55.05516	6.9
57.03434	3.5
65.03949	2.2
67.05510	25.9
69.07078	5.6
69.32170	2.0
69.32598	4.4
71.04966	0.8
78.04536	0.6
79.05500	12.5
81.03468	0.9
81.07060	22.9
81.96167	0.6
83.04993	1.6
83.08627	3.9
91.05481	9.1
93.07046	13.7
93.41887	0.6
95.04961	1.7
95.08615	15.9
96.74236	0.6
97.06524	0.7
97.10197	1.4
97.75758	0.6
98.21513	1.4
105.04537	0.8
105.07039	5.4
107.08600	7.1
109.06542	1.1
109.10166	6.5
115.05467	1.4
117.07016	1.8
119.08611	3.2
121.10138	5.1
123.04467	1.4
123.11729	1.3
131.04945	1.4
131.08589	1.7
133.10185	2.4
135.11766	2.4
137.05984	3.7
145.06480	1.3
145.10143	1.4
147.11703	1.2
148.05267	1.1
149.05984	3.5
149.13344	0.7
157.06528	0.8
159.11743	0.8
160.07625	1.3
161.06017	2.4
161.13272	1.4
162.05551	4.3
162.06723	1.1
163.07588	0.8
164.07079	16.1
164.08400	1.1
173.05939	3.3
173.13396	0.8
175.07597	2.9
176.07091	3.1
177.07866	27.6
178.08667	3.7
182.40636	0.6
184.07480	0.8
187.07611	1.2
190.08665	4.8
191.09390	1.4
202.08667	1.5
204.10240	1.1
229.14594	0.7
253.14536	1.0
267.10794	0.6
274.18015	22.8
284.16452	1.0
302.17505	29.1
320.18567	20.8
335.25815	10.4
346.20276	1.5
358.20245	1.1
374.29669	0.7
376.21219	7.3
393.21423	0.8
394.22269	14.8
420.23862	1.3
428.27344	0.8
532.40271	1.4
654.43695	100.0
655.44214	3.3
698.46301	64.2
699.46619	2.9
716.47467	6.8
717.47028	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.0
56.05041	1.0
57.03429	2.7
57.07078	100.0
59.05005	53.3
60.04515	2.7
67.05503	3.3
69.07056	4.3
69.29709	1.8
69.30121	7.9
71.08635	96.3
73.06566	1.2
79.05487	1.9
81.07047	4.0
83.08619	5.7
85.10187	92.4
87.04471	6.1
89.05479	1.7
89.06036	34.8
89.55213	0.9
93.07037	1.8
95.08582	3.4
97.10161	3.0
99.08090	1.7
99.11742	13.7
101.06014	0.9
101.09640	4.6
103.07575	3.5
107.08624	1.3
109.10143	1.5
111.11666	1.0
115.07573	1.5
117.09151	14.4
121.10141	1.5
122.24702	0.9
126.93795	1.0
130.08624	1.2
131.06989	1.2
133.08609	26.7
135.11617	1.7
141.16376	12.5
155.17920	1.1
175.09668	1.3
175.13443	0.9
177.11227	10.1
184.07451	2.0
199.20572	28.3
213.22141	1.6
221.13846	2.4
240.23232	3.1
257.24768	37.1
264.26920	1.4
279.15781	1.1
282.27878	2.0
283.17581	1.8
315.28995	4.3
327.20197	12.1
359.38632	1.1
385.24216	4.4
425.27386	1.1
443.28561	1.4
536.50397	11.9
554.51306	4.2
716.42462	1.7
716.55029	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	716.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.5
55.05519	1.6
57.03441	1.3
57.07077	100.0
58.01392	0.3
59.05003	30.9
69.07069	1.7
70.71633	1.2
71.08633	73.9
73.02914	0.5
73.06557	0.9
83.08618	2.3
85.10184	60.6
86.09739	0.5
87.04470	5.5
89.06035	41.3
95.08611	0.7
97.10179	3.1
99.08072	0.5
99.11738	12.4
101.06037	0.7
101.09659	2.5
103.07570	0.9
105.07011	0.5
107.07069	1.1
111.11718	1.0
112.30603	0.5
113.13302	4.0
117.09141	10.7
119.10722	0.4
130.08617	1.5
131.07054	2.1
132.33855	0.4
133.08607	30.9
136.33107	0.4
147.10190	0.8
151.09694	0.4
155.17949	10.7
159.13890	0.5
161.11736	0.5
175.09598	1.8
177.11240	15.6
184.07315	1.5
191.12807	0.7
213.22151	19.7
214.22446	0.4
219.12076	0.9
221.13838	3.0
239.14876	0.8
254.24704	1.8
265.16302	1.0
271.26324	24.5
283.17551	0.9
309.13242	0.4
309.18726	0.4
327.19955	1.1
329.30209	0.5
353.21460	0.7
371.22794	12.1
411.25446	1.6
429.26874	2.4
469.30115	0.9
487.30487	0.6
503.30255	1.0
549.78870	0.4
667.74506	0.5
716.55273	5.8
717.41888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27386	0.9
51.62236	0.9
53.03948	1.2
53.41066	0.9
55.01871	3.5
55.05259	1.6
55.05513	17.8
57.03436	6.5
57.07055	1.1
57.34827	0.9
59.04992	2.4
61.02916	3.4
65.03933	2.4
67.05508	82.0
69.03431	7.6
69.07075	21.8
69.07438	0.6
71.04992	3.1
71.08618	1.2
72.70458	0.8
73.02911	1.1
73.19669	0.9
73.50114	0.9
79.05496	14.3
81.03387	5.0
81.07059	23.6
83.04979	3.2
83.08619	9.2
85.02897	2.9
85.06530	2.6
91.03952	1.8
91.05485	16.3
93.07049	12.8
95.04958	4.4
95.08612	13.0
96.94754	0.9
97.02905	8.2
97.06524	2.0
97.10177	7.1
98.21554	1.6
99.04469	0.9
105.07035	11.4
107.04959	4.1
107.08591	8.8
109.02875	1.1
109.06522	2.7
109.10162	61.1
111.08092	4.9
114.63936	0.9
117.07030	7.3
119.08595	12.0
121.06526	2.8
121.10175	3.6
123.08067	2.9
125.09650	8.5
129.06987	2.8
131.08566	7.0
133.06487	3.2
133.10150	6.0
135.08060	2.2
135.11649	1.8
136.06131	1.3
137.05988	1.4
137.09618	3.6
143.08609	2.3
145.06503	1.2
145.10159	3.6
147.08080	4.6
147.11699	2.3
149.13345	1.8
151.11163	1.3
155.10690	3.7
157.10085	2.9
159.11687	1.3
161.09541	2.5
162.10373	1.4
163.11205	1.3
164.07230	1.2
173.11740	15.7
175.11244	2.3
177.12663	1.1
184.07364	1.2
189.11203	2.8
197.05922	1.0
223.13280	14.5
227.12816	3.7
229.14368	67.5
249.14847	2.2
253.14433	3.7
273.18466	11.7
279.50000	1.1
291.19559	77.7
302.17902	1.2
310.17245	1.0
347.22241	1.8
362.68573	1.0
365.23257	40.3
366.23639	1.2
399.23889	1.5
421.25702	1.0
439.26923	3.6
452.24603	1.3
501.31888	2.8
519.33234	100.0
520.33472	2.4
537.34100	1.4
654.43481	1.4
698.45813	4.7
716.45331	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.9
53.73045	0.4
55.01891	1.7
55.05505	0.5
57.03426	0.6
61.02932	0.6
65.03963	0.7
67.05514	1.0
69.03443	0.7
69.07079	0.5
70.06612	1.4
79.01874	1.6
79.05510	0.9
81.03430	2.3
81.07082	1.4
83.05011	0.5
84.08171	0.7
85.02903	2.7
86.09718	0.6
91.05043	0.4
91.05479	2.0
93.03428	1.2
93.07056	0.7
95.04996	0.8
95.08659	1.0
97.02907	1.3
99.04491	0.6
103.03980	0.4
103.05465	1.9
105.07053	1.5
107.04943	3.3
107.08661	0.9
109.02856	2.8
109.10176	0.7
111.04459	0.8
117.03353	0.5
119.04941	8.6
119.08616	1.4
121.02000	0.8
121.02873	12.4
121.03709	0.7
121.06535	1.1
121.10130	1.0
123.04455	0.5
126.05540	0.5
127.03995	1.0
131.04922	3.1
133.02875	1.0
133.06531	1.0
133.10176	1.5
135.04443	1.0
135.11700	0.7
137.02386	0.7
137.05971	3.6
139.03929	0.5
141.01869	0.9
143.04892	0.4
145.02840	2.1
147.04430	1.4
147.11607	0.5
149.05952	0.5
151.03935	0.9
151.07567	0.5
153.01846	0.7
153.05447	0.5
157.06493	0.5
159.04462	0.9
161.02359	1.1
161.06062	1.6
163.03975	0.6
163.07587	0.8
165.01839	6.6
165.05481	0.7
167.07024	1.0
171.04440	1.0
175.03917	2.3
175.14807	0.6
177.01865	6.0
177.05489	2.3
179.03397	2.9
183.02908	3.4
185.05966	0.6
187.03940	1.0
187.07642	0.6
189.01820	3.4
189.05511	0.9
195.02908	11.1
195.04628	0.7
199.03973	1.2
201.05521	0.9
203.03398	10.1
207.02879	4.2
207.06360	0.4
213.05501	1.6
215.03429	1.3
217.04988	4.7
221.04395	3.0
227.03453	2.2
233.04448	0.5
235.05981	1.0
239.07014	0.5
241.08664	0.4
243.02927	2.8
255.02898	4.9
255.06493	0.7
261.03894	0.8
265.08591	0.5
267.06604	2.1
268.07251	2.5
271.06006	13.3
273.03806	2.5
273.12540	0.7
279.06613	2.3
279.10352	0.4
283.06012	61.7
284.06461	1.7
292.07315	0.5
293.08075	0.8
295.06009	100.0
296.06583	4.8
297.07513	4.9
305.08194	0.5
307.06000	6.7
309.04086	0.9
309.07620	4.4
313.07077	5.0
317.08099	1.2
317.11850	0.8
319.06131	0.9
321.07578	22.7
323.09109	1.1
325.07068	49.6
326.07379	1.2
326.17960	0.4
333.07581	2.0
335.09134	13.1
337.07056	3.3
345.07553	1.9
347.09149	0.9
349.07056	37.2
350.07425	0.5
361.07068	19.8
363.08521	2.7
367.07996	1.5
373.07135	6.6
379.08133	28.7
380.08658	0.5
391.08139	17.1
397.08978	1.0
409.09186	22.0
415.10208	4.3
427.10291	17.6
427.16074	0.7
433.11240	0.9
445.11218	2.3
463.14160	0.7
509.32755	0.5
523.16620	4.4
577.10693	1.8
595.12506	4.4
619.12488	2.5
679.14508	2.0
697.15686	2.9
714.38611	0.5
715.19946	3.4
715.32697	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	714.5515
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03937	0.9
55.05514	5.0
56.05052	3.8
57.07077	2.6
58.02965	0.3
58.06584	1.1
60.04535	2.0
65.03934	0.6
67.05508	11.2
68.05016	0.6
69.03414	1.0
69.06735	0.5
69.07072	7.0
69.87934	0.7
69.88350	1.0
70.06598	1.9
71.05009	0.3
71.08627	1.7
76.81042	0.3
78.68530	0.3
79.05498	8.9
80.05016	3.0
81.03413	0.5
81.05782	1.0
81.07067	9.0
82.06580	6.5
82.07352	0.3
83.08627	4.2
84.08127	0.4
85.02899	2.3
85.10184	0.7
91.05483	6.8
93.06471	0.5
93.07046	8.8
94.06571	15.1
95.04967	1.1
95.07356	7.2
95.08613	8.3
96.08129	4.7
97.02880	0.7
97.06518	0.4
97.10168	2.5
98.20756	0.6
100.07653	0.3
103.76952	0.3
105.07039	4.6
107.07388	0.3
107.08605	4.5
108.08122	2.7
109.10160	3.3
110.09650	0.4
111.11706	0.7
119.08586	5.5
120.08112	0.4
120.74054	0.3
121.08896	0.4
121.09266	0.4
121.10145	5.4
122.09686	2.2
123.11707	0.9
126.04692	0.3
127.03872	0.4
133.10133	3.8
135.10591	0.6
135.11685	3.2
136.11211	1.2
137.13264	0.7
147.11685	1.3
149.13269	1.0
150.12695	0.3
151.14799	0.6
161.13283	0.6
163.14774	0.4
165.16411	0.3
193.19591	0.3
219.21030	0.8
233.22691	3.0
234.22173	0.8
237.22186	0.4
245.22652	4.6
250.25330	7.9
254.24855	1.1
260.23639	0.3
262.25305	100.0
263.23392	0.5
263.25717	1.1
272.25870	5.2
280.26370	6.3
314.26904	0.4
323.03232	0.4
328.44965	0.4
442.31412	0.8
504.47794	6.4
516.47803	33.2
517.48132	1.3
518.49377	6.0
534.48810	22.4
535.49261	0.7
696.54077	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	714.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	23.5
57.03438	19.0
57.07079	6.9
61.02918	6.2
65.03952	4.3
67.05509	80.6
69.03456	4.9
69.07066	26.6
69.18005	37.2
71.04987	4.5
71.08607	6.9
73.02892	4.9
79.05504	51.7
81.07062	95.6
83.04975	4.0
83.08602	12.6
85.02895	4.9
88.79794	3.7
91.03966	6.4
91.05493	39.7
93.07058	51.0
95.08620	61.4
97.02872	4.0
97.06551	6.7
97.10197	5.8
98.20739	8.3
99.08038	3.5
100.76622	3.5
105.07026	43.7
105.38391	3.3
107.08587	28.5
108.45756	3.1
109.10155	27.0
111.08051	4.7
117.07027	9.4
119.08588	35.0
121.10167	25.4
123.11713	9.7
129.06978	3.9
131.08554	18.2
133.10132	26.5
135.11705	16.7
137.09583	4.0
143.08669	4.4
144.92661	3.7
145.10120	22.4
147.11682	30.5
149.13251	9.9
151.07587	3.6
157.10136	7.2
159.11711	17.9
160.88330	4.0
161.13264	10.3
163.14903	8.6
165.12766	11.4
171.11671	5.8
173.13272	10.6
175.14931	6.1
177.16504	3.6
178.08652	7.6
184.07312	8.5
185.13293	4.4
187.14854	6.9
188.07161	5.5
199.14833	4.2
201.16333	6.4
229.14316	31.4
239.16397	25.7
241.17737	5.1
243.21120	4.5
252.51758	3.9
259.20654	4.3
261.22177	9.2
262.25305	9.5
310.10535	4.2
326.13873	16.2
333.24234	5.0
335.25821	49.7
335.29462	6.2
341.24878	4.5
342.16861	10.4
391.27853	3.7
407.33121	6.7
419.31381	3.5
425.34042	19.8
489.35760	10.7
499.37897	29.1
517.38971	100.0
518.39423	4.8
638.37079	4.1
714.40033	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	714.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
55.05512	20.7
57.03437	21.5
57.07059	7.5
61.02917	8.3
65.07034	3.6
67.05503	78.5
69.03428	5.4
69.07082	24.0
71.04981	4.2
73.02910	4.4
79.05499	49.2
81.07063	95.0
83.04971	4.8
83.08602	10.4
85.02895	7.1
85.06537	6.2
91.03967	6.9
91.05484	37.6
93.07047	62.7
95.04974	7.5
95.08603	60.1
97.02911	7.2
97.06538	7.3
97.10161	8.9
98.20689	8.7
101.05984	4.6
105.07042	47.9
107.08578	28.2
107.51068	3.4
109.10150	34.4
111.08087	4.0
112.32410	3.8
117.07020	11.1
119.08582	34.0
121.10148	24.4
123.11696	9.0
129.07001	4.7
131.08572	22.2
133.10117	22.9
135.11700	15.6
137.13463	3.9
143.08586	7.3
145.10181	19.9
147.11678	24.5
149.13272	13.8
157.10175	7.9
159.11702	18.1
161.13249	14.5
163.14877	6.8
165.12738	10.9
171.11708	5.2
173.13260	6.6
175.14816	3.7
177.12825	4.3
178.08679	9.1
185.13271	5.6
199.14922	6.0
217.12436	4.2
219.17377	4.6
229.14354	30.3
239.16333	28.0
259.20630	6.4
261.22220	8.3
262.25418	5.5
299.23798	4.3
310.10791	5.2
317.24875	5.7
326.13815	16.5
333.24075	6.9
335.25787	73.9
342.16910	16.4
407.33170	4.1
425.34390	19.4
443.35303	8.4
489.35538	19.4
499.37958	42.0
517.38928	100.0
696.44537	5.7
714.41870	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	712.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26749	0.2
53.03921	0.7
55.01850	0.7
57.03412	0.6
61.02902	0.8
68.99779	0.3
69.03432	4.6
70.14816	0.8
71.04986	0.5
73.02897	0.7
81.03419	2.9
85.02905	5.4
87.00813	0.7
87.04455	0.4
91.05466	0.7
96.20290	0.2
97.02899	2.6
98.97578	0.2
99.04437	1.1
105.01842	0.4
109.02884	2.6
115.05461	3.7
118.06517	0.5
119.04943	0.7
120.18093	0.2
122.03657	0.5
123.04440	1.8
125.06065	0.2
127.03899	2.7
131.04878	0.4
132.29059	0.2
133.06500	0.6
137.05983	12.3
137.23967	0.2
143.04926	7.0
145.04938	0.7
145.06334	0.2
146.06012	0.3
147.04399	0.6
151.03911	0.2
151.07507	1.3
159.02835	0.3
161.04628	0.5
161.05980	9.4
163.06317	0.4
164.07068	100.0
165.07504	0.7
175.07558	0.8
175.66049	0.2
179.08568	0.4
187.06075	0.5
205.01816	0.2
206.08231	0.5
207.08081	0.9
225.09186	0.5
235.07666	1.0
239.10710	0.2
253.08582	0.9
257.11887	0.3
267.10312	0.4
283.09662	0.2
285.11221	4.8
300.12195	1.1
302.13892	4.6
326.12308	3.6
368.13519	0.8
412.12378	0.3
464.19180	3.5
506.20190	4.6
550.19287	2.2
574.17865	0.4
626.24573	1.2
626.33661	0.2
668.25458	10.2
712.24445	42.3
713.24384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05526	3.9
57.03428	2.8
59.73750	0.7
67.05504	12.8
69.03417	2.2
69.07068	3.5
71.04998	1.3
71.56474	1.0
79.05495	6.6
81.03410	3.7
81.07062	16.3
83.04984	2.7
83.08613	1.9
85.02908	1.9
85.06545	2.0
89.06080	0.8
91.05479	4.7
93.07060	6.6
95.08598	7.2
97.02899	2.0
97.06512	1.0
97.10142	1.1
99.04455	1.2
105.07058	2.4
107.08604	4.8
109.02901	0.9
109.10166	2.1
111.04446	1.3
117.07018	1.5
119.08602	2.3
120.16594	0.7
121.10161	3.4
123.11687	2.2
127.03913	0.9
127.91391	0.7
129.05467	1.5
131.08559	2.9
132.19510	0.7
133.10159	2.7
135.11705	1.7
145.10168	0.7
147.11713	1.1
147.98337	0.7
149.13290	1.7
159.11720	2.7
173.04468	1.3
177.12695	0.9
187.13260	1.6
195.13799	1.3
213.94853	0.8
231.92487	0.7
243.15923	5.2
261.22293	1.2
269.17584	1.4
323.83575	0.8
335.25778	7.5
403.47391	0.9
413.21643	0.8
431.22830	2.0
503.37308	9.1
503.62143	0.7
526.40387	0.7
529.38824	2.5
537.38989	0.8
547.40247	1.3
646.64941	0.8
673.43591	0.9
691.44379	1.6
709.44995	100.0
710.45825	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66684	0.5
53.03946	0.6
54.57488	0.6
55.05507	2.3
57.03421	0.7
57.73160	0.5
65.03938	2.1
67.05518	4.6
69.03429	0.9
69.07058	2.0
71.55222	0.9
79.05489	3.2
81.03416	0.9
81.07054	9.5
83.05003	1.0
83.08595	0.7
85.02919	1.2
85.06546	0.7
86.09705	1.1
91.05484	38.4
93.07050	2.1
95.08608	3.5
97.02904	0.8
97.06528	1.0
97.10210	0.7
105.07029	2.3
106.06571	1.8
107.08603	1.7
109.06535	2.8
109.10176	1.7
118.06557	4.3
119.04948	16.5
119.08587	2.4
121.10162	1.4
123.11714	2.3
130.06548	0.7
131.07321	1.9
132.08099	1.8
133.10168	0.7
134.09656	0.8
134.87614	0.5
137.05981	40.2
144.08078	0.6
146.09642	2.7
147.11708	4.1
149.13264	0.9
158.09654	0.5
160.11180	3.2
165.12737	1.3
171.58910	0.5
174.12845	1.2
184.07359	3.1
229.14429	1.0
244.20630	4.7
265.97781	0.5
269.17542	2.0
272.20090	42.0
285.17212	1.3
290.21143	11.8
312.86102	0.5
334.86368	0.6
346.23721	5.4
364.24756	6.9
426.26413	9.9
482.29178	1.7
513.30701	1.3
556.36377	1.9
574.37500	1.9
710.42621	100.0
711.43372	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	709.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42919	0.5
54.22467	0.6
55.01839	0.7
55.05506	1.1
57.03428	0.8
57.07072	0.7
58.62074	0.6
67.05502	3.0
69.03423	2.5
69.07086	3.4
70.06586	1.6
71.04991	1.0
71.56907	0.6
71.57294	1.0
72.08139	0.6
73.02928	0.9
76.25303	0.6
79.05499	2.3
81.03412	2.2
81.07063	4.9
83.01173	0.6
83.08618	1.8
84.08146	0.7
85.02911	7.5
86.09699	0.7
87.00831	1.3
91.03982	0.7
91.05478	1.7
93.07068	1.2
95.01352	0.6
95.04990	1.3
95.08606	4.4
97.02924	1.5
97.10175	0.9
99.04483	0.9
101.56004	0.8
105.01856	1.7
105.07034	1.6
107.04919	1.2
107.08588	1.1
109.02887	2.1
109.10166	2.8
111.04231	0.9
111.11726	1.0
117.06988	1.1
119.08590	1.2
121.06531	1.0
121.10147	1.4
123.11725	2.1
127.03893	3.8
135.08078	1.0
135.11694	1.2
137.02412	1.0
137.05986	2.1
141.01888	0.8
145.02878	0.8
145.06488	0.6
155.06844	0.9
165.09171	1.7
167.07129	1.1
177.05501	1.5
179.17880	0.7
207.06487	1.2
221.08134	0.8
246.84860	0.6
249.25793	0.7
255.06532	5.6
267.26764	3.2
339.12930	0.9
342.92142	0.7
349.72141	0.7
443.29825	2.1
459.29398	3.1
461.30872	10.5
489.30392	13.6
503.32056	2.8
547.33344	0.8
586.20288	0.7
605.25970	1.0
605.35138	14.3
605.95142	0.6
623.36182	43.0
624.36865	1.1
640.17578	0.7
665.37213	70.1
666.37518	2.3
709.36169	100.0
710.36707	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	709.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77761	0.9
53.03949	2.4
55.05516	8.4
55.37078	0.7
57.03446	5.5
57.07059	1.2
57.44664	0.8
67.05505	27.9
69.03429	4.8
69.07068	6.6
71.04990	3.8
71.08627	0.9
72.31915	0.9
73.02928	1.7
76.97700	0.9
77.30629	0.9
79.05494	17.7
81.03419	8.5
81.06577	1.9
81.07059	37.9
83.04990	6.9
83.08628	4.2
85.02901	3.1
85.06546	3.6
91.05486	10.8
93.07050	17.9
95.04974	2.2
95.08601	13.3
97.02895	3.9
97.06538	3.7
97.10133	1.4
99.04467	2.3
99.08093	1.5
105.07028	6.5
107.04965	1.9
107.08592	9.4
107.13300	0.9
109.02922	1.3
109.10171	6.6
111.08096	1.5
113.06045	1.0
117.07018	3.0
119.04962	0.8
119.08578	4.1
121.10145	6.0
123.11705	4.5
127.03951	1.5
129.05505	3.3
129.07048	1.1
131.08575	4.4
133.10141	5.8
135.11665	4.3
145.10162	2.7
147.11705	2.0
149.13271	5.1
151.11221	1.4
159.11696	5.5
161.13251	1.2
171.11804	1.1
173.04422	4.6
173.13362	1.0
177.12778	2.4
179.14313	1.0
187.13338	2.6
193.58673	0.9
195.13834	3.0
206.46495	0.9
229.11996	0.9
243.15903	8.8
243.21042	1.0
261.22177	1.6
269.17542	6.1
335.25821	25.7
413.22104	1.8
431.22946	3.4
503.37323	22.0
529.39014	6.8
547.39447	3.9
673.43286	1.9
691.44232	6.3
709.45026	100.0
710.45575	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	707.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
57.03447	0.3
57.07083	0.6
57.37637	0.3
65.66015	0.3
67.05502	1.3
69.03436	0.3
69.07062	0.3
71.08632	0.3
71.55190	0.4
79.05503	1.0
81.03415	0.4
81.07063	1.3
87.04470	1.3
91.05494	1.0
93.07066	1.2
95.04977	0.4
95.08617	0.9
99.04484	0.3
105.07053	1.0
107.08609	0.4
119.08583	0.4
121.10174	0.5
126.42470	0.3
133.10179	0.7
147.11690	0.4
227.12766	0.4
244.34164	0.3
349.12463	0.4
371.21637	0.4
404.32275	0.3
426.05371	0.3
490.05505	0.4
545.38879	0.4
560.89667	0.4
595.46881	0.5
609.45038	0.8
707.49237	100.0
708.49451	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	707.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
69.07053	1.0
70.06593	1.4
71.56062	1.3
73.90831	0.7
75.42749	0.8
79.05490	1.5
81.07053	2.9
85.02911	2.2
91.05489	1.4
93.07043	0.9
95.08576	0.8
103.25832	0.7
105.07014	1.3
107.08590	0.7
109.10110	0.8
119.08591	1.2
121.10188	0.9
127.03829	1.7
137.05943	1.0
171.06396	1.0
185.05017	0.8
219.72737	0.7
228.07753	0.8
271.06064	4.2
343.20975	0.7
399.27075	1.3
441.32193	2.2
457.31287	2.4
459.32947	8.4
487.32465	13.0
501.33990	1.6
603.37170	12.8
621.38239	40.8
622.38336	1.1
663.39246	68.1
664.39526	1.7
707.38226	100.0
708.39172	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06989	0.5
55.05507	0.6
61.02904	0.7
69.07071	1.3
69.18749	5.2
78.51731	0.5
79.05503	1.0
81.03430	0.7
81.07061	1.5
85.02894	2.1
91.05480	1.0
93.07059	0.6
95.08618	1.3
96.08941	0.5
97.02928	1.0
98.20742	1.2
98.97582	0.5
105.07061	0.7
107.08601	0.9
109.02827	0.6
109.10189	1.2
111.04235	0.9
119.08581	0.9
125.05809	0.7
127.03754	2.3
129.07047	0.7
137.06006	1.0
164.07031	0.6
165.09105	0.9
185.07913	0.9
208.07683	0.5
237.16415	0.6
271.05984	3.1
357.01816	0.5
385.25586	0.7
399.27316	0.9
441.32104	2.0
457.31488	3.1
459.32919	8.4
487.32458	14.1
501.34256	2.4
603.37170	12.9
621.38232	42.5
622.39014	1.0
651.24884	0.6
663.39276	66.6
664.39410	2.5
707.38275	100.0
708.38428	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	707.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01879	0.6
55.05507	1.1
57.03434	1.3
61.02925	4.6
67.05508	7.0
68.63668	0.5
69.03433	2.5
69.07076	1.4
71.01347	0.4
73.02928	3.6
79.05498	3.4
81.03417	2.3
81.07067	3.6
83.04983	0.6
83.08615	0.9
85.02911	4.1
85.06511	0.5
88.85719	0.4
90.60548	0.4
91.03959	3.2
91.05485	3.4
93.07040	3.6
93.07512	0.4
93.71854	0.4
95.05025	0.5
95.08600	2.2
95.67494	0.4
97.02913	3.5
99.04464	0.5
101.02381	1.0
103.03973	0.5
105.07056	1.8
107.08615	1.7
109.02928	0.6
109.10165	4.3
117.07011	0.8
119.08578	2.6
121.10157	1.4
127.03940	1.0
131.08624	1.2
133.10149	1.5
135.11754	1.0
137.09637	0.5
139.49049	0.5
142.62961	0.4
145.10144	0.7
147.11708	1.0
157.10225	0.8
161.13402	0.5
169.09952	0.4
171.11726	0.6
173.11795	1.4
184.07344	0.5
185.04253	0.6
185.13205	0.5
195.09991	1.1
229.14377	0.8
243.08446	3.1
259.20453	0.5
301.09048	1.3
312.27939	0.4
342.16708	0.6
370.18503	0.5
373.11197	0.5
413.17810	8.2
485.20001	1.0
535.28851	6.9
545.37396	0.5
707.39777	100.0
708.39844	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	707.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27426	0.5
55.05507	1.4
57.07042	0.6
66.99590	0.6
67.05505	2.5
69.03442	0.7
69.07075	1.0
71.08652	0.6
71.57111	0.7
71.66772	0.5
72.69933	0.5
79.05508	1.8
81.03442	0.6
81.07048	3.1
85.02934	0.6
87.04494	1.6
89.06025	0.7
89.52962	0.7
90.09958	0.5
91.05502	0.9
93.07092	1.2
95.05013	0.6
95.08624	1.3
95.49850	0.4
97.06521	0.7
105.07065	1.4
107.08618	1.5
109.02926	0.5
119.08644	0.9
123.11800	1.0
127.03863	0.6
129.07095	0.7
129.39961	0.5
145.10185	0.5
147.11728	1.5
149.11504	0.5
192.34262	0.5
204.19598	0.5
229.14513	0.6
250.49669	0.5
267.15881	1.1
285.17023	1.0
545.38495	0.8
707.37860	100.0
707.49304	17.9
708.37604	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	707.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09615	0.7
57.07084	0.9
61.63304	0.6
67.05505	3.1
69.07058	1.1
69.88995	0.7
71.21379	1.1
77.81831	0.6
79.05487	2.2
81.03421	0.9
81.07059	3.1
83.08624	0.9
87.04461	2.0
87.16455	0.7
89.06038	0.7
91.05461	1.2
93.07060	2.0
95.08599	1.9
97.02901	0.7
105.07047	2.3
106.84845	0.7
107.08630	1.4
111.83224	0.6
119.08601	2.0
123.11692	0.7
131.08545	1.2
135.11742	1.2
147.11702	1.8
229.07495	1.0
267.15811	1.0
532.36328	0.8
567.61401	0.7
609.45044	0.9
707.37347	100.0
707.48987	25.5
708.37659	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	707.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.1
57.03434	0.1
61.02928	1.3
67.01567	0.1
67.01869	0.5
68.99812	0.4
69.03435	0.2
69.89484	0.2
69.89901	0.2
70.06586	0.1
77.46478	0.1
81.03420	0.1
85.02908	1.7
91.05473	0.4
91.08566	0.1
97.02908	0.6
113.02368	1.1
119.04957	1.6
119.78832	0.1
121.02888	0.6
127.03867	0.2
129.01852	0.2
131.03416	0.1
139.31081	0.1
141.01816	0.5
145.02837	0.8
150.07637	0.1
153.01836	4.6
159.02913	0.4
163.03918	0.5
171.02908	0.4
182.15178	0.1
201.03940	0.7
203.07057	0.2
225.05542	0.3
229.04962	0.3
243.06532	0.3
247.05968	0.1
253.04919	0.1
254.05708	0.1
271.06009	100.0
272.06323	1.1
283.06030	0.2
307.71655	0.1
313.07123	0.1
337.06937	0.1
349.07172	0.2
359.23105	0.2
447.03143	0.1
447.09277	2.7
707.14441	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37511	0.1
55.15751	0.1
57.03424	0.1
61.02928	2.0
67.01874	0.4
68.99454	0.1
68.99744	0.3
69.03419	0.1
70.06596	0.1
71.56830	0.1
81.03413	0.1
84.08150	0.1
85.02908	1.0
91.05478	0.5
94.51134	0.1
95.01340	0.5
97.02887	0.3
97.19579	0.1
102.93659	0.1
111.00827	0.1
113.02366	0.3
119.04944	1.9
121.02880	0.6
121.04948	0.1
127.03928	0.1
129.01849	0.1
137.05966	0.1
141.01831	1.7
145.02861	0.8
147.59799	0.1
153.01833	5.1
154.02074	0.1
155.03365	0.2
159.02931	0.1
163.03900	0.5
171.02910	0.5
173.05927	0.1
183.02904	0.7
187.03879	0.1
197.06087	0.1
201.03957	0.1
202.06332	0.1
203.07004	0.2
225.05475	0.3
229.05026	0.3
243.04747	0.1
243.06633	0.2
247.05998	0.2
253.04880	0.1
261.06143	0.3
271.06012	100.0
272.06345	1.4
283.06143	0.1
292.95807	0.1
295.06143	0.2
313.07059	0.2
336.50873	0.1
349.06854	0.1
349.48865	0.1
429.08356	0.1
447.09225	2.5
462.11993	0.1
477.14047	0.2
663.19684	0.2
707.13940	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.6
51.02386	2.4
51.10358	2.0
51.81577	1.8
53.03943	13.7
55.01878	5.3
55.05507	27.1
57.03444	6.3
57.07069	6.9
59.05013	2.3
65.03928	5.5
67.05508	90.2
69.03428	21.0
69.07072	18.4
70.14594	7.4
71.04996	57.2
71.08612	2.6
79.05494	60.6
81.03424	44.8
81.03906	2.1
81.07060	100.0
83.04987	13.4
83.08615	9.7
85.02926	4.3
85.06548	6.3
85.10165	2.0
87.04465	5.0
89.06030	3.9
91.05488	69.9
93.07049	63.0
95.04952	11.9
95.08605	37.0
97.02886	13.7
97.06544	10.4
97.10173	3.7
99.04450	4.9
99.08097	2.6
105.04503	2.2
105.07037	29.8
107.04990	4.7
107.08605	32.6
109.02884	12.1
109.06539	5.8
109.10149	16.4
111.04440	7.0
111.08109	4.4
114.67437	2.0
117.07014	13.9
119.08598	18.1
121.06553	2.5
121.10147	25.2
123.11726	12.4
125.09625	3.5
127.03876	8.7
129.07014	2.7
131.08572	17.0
133.10133	23.7
135.11707	15.0
142.07852	2.1
143.08554	5.0
145.10135	10.6
147.11713	9.8
149.09624	3.6
149.13274	16.3
151.11165	9.1
157.10138	2.7
159.11710	15.4
161.13295	5.5
165.12782	3.7
169.10077	2.7
169.12247	2.7
173.04483	13.0
173.13284	5.3
177.12730	8.9
183.13921	8.9
185.13298	2.9
187.13307	18.1
187.14819	2.7
193.12303	3.3
195.13788	8.7
200.99976	2.2
201.12747	1.4
201.14905	6.5
213.12653	2.1
213.14792	3.1
257.17480	4.3
261.22229	5.7
269.17593	3.1
321.17093	2.5
335.25891	5.6
339.17947	9.3
349.27469	5.1
351.23065	3.8
369.24356	4.7
395.20779	3.7
405.26544	2.0
427.23590	4.8
443.27829	2.8
461.29150	3.2
503.37317	5.2
517.39136	6.9
529.39032	3.2
554.63074	2.1
561.41510	3.7
673.43066	10.4
705.45758	91.4
706.46143	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	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.6
54.95349	1.8
55.01870	11.6
55.05516	22.8
57.03427	8.0
57.07080	40.3
58.07387	5.1
59.05011	13.1
61.02936	4.0
61.93808	2.1
65.03939	2.6
67.05508	69.9
68.56621	2.3
69.03434	17.2
69.07066	24.7
71.05003	10.8
71.08636	66.8
72.08974	10.1
73.02927	3.1
73.06548	5.4
79.05068	3.2
79.05498	46.8
81.02982	2.3
81.03427	29.2
81.07060	64.4
83.04980	13.8
83.08619	12.8
85.02911	11.9
85.06542	4.6
85.09718	2.6
85.10188	33.2
85.26115	1.9
86.10493	3.4
87.04465	15.2
89.06039	100.0
90.06357	8.5
91.03926	2.7
91.05484	42.4
93.07054	47.4
95.01369	1.9
95.04968	10.5
95.08617	29.9
97.02911	14.0
97.06542	16.2
97.10146	9.5
99.04450	5.0
99.08109	3.0
103.07568	5.9
105.07037	40.2
107.04964	13.3
107.07069	2.9
107.08598	33.7
109.02868	8.3
109.06534	6.0
109.10168	17.8
111.04476	4.4
111.08128	3.6
113.05962	2.8
117.07023	17.3
117.09138	3.5
119.04940	1.7
119.08583	23.6
121.06480	5.9
121.10159	21.9
123.08080	6.1
123.11676	5.3
125.09628	5.7
127.03905	9.0
127.14875	3.6
128.06226	2.0
129.05519	4.2
129.07018	8.9
130.07826	2.2
131.07065	3.9
131.08566	23.8
133.06483	4.4
133.07639	3.9
133.08612	64.2
133.10104	20.4
134.08931	10.7
135.08063	2.2
135.11691	7.8
137.09639	2.3
141.07030	4.7
142.07759	2.4
143.08572	10.5
145.06476	5.1
145.10118	16.9
147.08043	3.7
147.11708	14.3
149.08536	2.1
149.09624	12.5
149.13275	10.4
155.08569	6.1
157.10117	11.6
159.08054	3.8
159.11711	17.4
161.09644	3.2
161.13208	6.1
163.07579	2.4
163.11171	7.7
165.12816	2.3
167.08636	3.7
169.10126	5.3
171.11707	8.3
173.04433	8.6
173.09619	3.1
173.13274	5.3
175.09708	3.1
175.11160	3.8
177.11224	28.1
177.12712	4.7
178.11577	6.8
181.10199	3.7
183.11702	6.7
185.13272	5.0
185.19034	5.5
186.19305	3.1
187.11227	3.5
187.14774	3.5
189.11206	3.9
195.11710	2.5
195.13815	3.3
197.09807	2.4
197.13226	4.9
209.13379	2.2
211.14806	3.1
221.13766	5.0
227.12770	7.5
229.14305	4.5
229.19626	2.6
229.21661	5.1
235.15070	2.3
257.18964	6.5
265.16306	3.0
267.15979	3.1
269.17462	12.3
275.20084	35.8
293.20844	2.8
298.55212	1.9
299.23682	3.9
303.15634	2.8
309.19073	2.7
331.22647	2.8
340.83630	2.2
349.23691	17.3
413.21631	8.7
413.26758	2.4
433.30820	7.2
451.32120	4.8
504.30823	6.6
507.34155	2.5
515.37213	3.5
525.35883	19.2
543.36835	59.2
544.37067	2.6
561.37463	3.6
577.80487	2.1
585.38489	2.4
651.37885	2.1
669.39325	5.2
673.27112	5.6
687.40869	24.0
705.31055	2.6
705.41815	24.3
705.52649	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	705.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.3
53.03942	12.9
55.01879	19.1
55.05272	2.3
55.05514	33.2
57.03443	19.3
57.07071	10.2
59.04990	3.1
59.47131	2.0
59.90283	2.0
61.02925	5.3
65.03925	5.1
67.01846	3.2
67.05510	92.8
67.61014	2.4
69.03429	29.3
69.07072	38.9
69.77716	13.8
71.04987	13.8
71.08617	8.4
73.02916	3.4
73.06513	2.5
79.05495	71.6
81.02982	3.9
81.03423	47.5
81.07062	100.0
83.04987	21.9
83.08620	22.6
85.02916	19.6
85.06525	6.3
85.10178	7.0
87.04466	4.0
89.06041	21.3
90.06351	2.9
91.04903	2.4
91.05482	63.6
93.07047	77.9
95.01274	2.2
95.04971	16.2
95.08611	47.8
97.02902	19.9
97.06525	24.9
97.10158	10.0
98.20775	2.9
99.04428	8.4
99.08078	3.1
103.05430	2.5
105.06382	4.2
105.07036	55.7
107.04970	19.5
107.08601	50.8
109.02885	13.5
109.06536	12.0
109.10168	23.6
111.04433	8.3
111.08078	7.2
117.07024	24.7
119.07790	3.7
119.08582	38.9
121.06546	11.6
121.10149	20.2
123.08055	6.4
123.11688	7.9
125.09608	9.0
127.03925	13.5
127.07534	2.2
128.06200	5.5
129.05490	6.2
129.07021	17.0
131.04903	3.8
131.07693	3.8
131.08580	35.5
133.06461	5.0
133.08617	12.4
133.10120	32.1
134.08955	4.0
135.08060	9.2
135.11674	12.9
139.11163	3.4
141.06981	3.9
142.07790	3.4
143.08606	14.5
145.06503	4.9
145.10138	25.0
147.08052	5.7
147.11713	22.8
149.09637	16.8
149.13260	16.4
151.11180	4.9
155.08560	10.9
157.10114	11.5
159.08012	3.5
159.11693	21.1
161.09596	5.3
161.13268	6.5
163.11214	10.8
165.12715	4.1
167.08557	6.7
169.10159	11.0
171.08038	3.2
171.11694	13.3
173.04555	11.8
173.09586	4.4
173.13234	8.2
175.11208	3.8
175.14812	2.9
177.11259	5.1
177.12743	7.2
178.11552	3.0
179.08450	2.8
179.14307	4.0
181.10182	2.6
183.11696	10.7
185.13295	5.6
187.11136	4.8
187.14807	3.8
189.11195	3.5
189.12721	2.9
195.11748	2.9
195.13681	6.2
197.13188	6.2
199.11140	3.9
199.14871	3.7
201.12718	4.4
201.16397	2.8
202.15849	4.4
207.13899	2.8
209.13303	4.6
211.14838	5.0
215.14268	3.8
227.12764	7.7
229.14395	4.7
239.17924	4.6
241.65454	2.3
247.20554	3.9
257.18921	5.4
267.16000	4.9
269.17484	20.7
275.20068	48.2
293.21066	4.3
300.13681	3.6
301.13687	3.5
301.21674	3.9
321.17035	2.6
331.22644	3.6
339.18082	4.1
349.23770	27.5
373.23996	2.7
395.20630	4.4
402.47711	2.5
413.21655	14.3
419.24332	3.2
423.27133	4.2
433.30768	6.4
451.31906	8.5
469.32855	6.9
515.37170	6.3
525.35815	26.9
543.36890	91.1
561.37592	4.8
589.34216	2.9
628.49841	2.5
651.39154	3.6
669.39783	5.3
687.41229	27.7
705.42035	34.3
705.54443	4.0
731.69550	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	705.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60103	0.5
53.03935	0.7
55.05511	2.8
57.03423	1.4
57.07077	1.3
61.02931	5.4
64.65296	0.6
67.05510	7.5
69.03429	3.9
69.07050	1.4
71.04961	1.6
71.08592	0.8
71.56678	0.7
73.02917	4.3
79.05497	4.1
81.03397	2.4
81.07063	8.6
83.08595	0.9
85.02900	5.0
85.06528	0.9
85.10155	0.9
86.81063	0.6
87.04451	0.9
89.06010	0.8
91.03973	3.6
91.04420	0.8
91.05450	2.3
93.07058	4.2
95.08595	4.1
97.02895	3.9
98.30738	0.7
99.04433	1.0
101.02359	1.9
101.37297	0.6
103.03919	0.8
105.07011	2.1
107.08600	3.0
109.02866	1.3
109.10133	1.7
119.08550	2.0
121.10127	1.7
123.11721	1.5
124.99979	0.6
127.03912	1.4
131.08539	1.5
133.08601	0.6
133.10109	2.4
135.11658	1.0
147.11719	0.8
161.13264	0.6
184.07368	0.6
202.04626	0.5
209.11476	0.9
243.08408	2.5
335.25616	0.7
342.23709	0.6
427.19336	4.3
519.29395	7.7
608.26385	3.4
610.97296	0.7
641.56329	0.6
705.41412	100.0
706.42023	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84049	0.4
53.03954	0.5
55.05515	2.4
57.03440	0.5
57.07081	40.3
59.04706	0.8
59.05006	15.2
61.02926	0.6
67.05508	4.9
69.03436	1.4
69.07072	4.5
70.03908	1.8
71.04996	0.9
71.08638	72.5
73.02922	1.2
73.06561	5.2
79.05495	3.1
81.03426	2.0
81.07071	4.9
83.04981	1.1
83.08620	1.6
85.02903	1.3
85.06582	0.4
85.09663	0.9
85.10191	38.4
87.04477	16.2
89.06040	100.0
91.05483	3.6
91.07610	0.8
93.07061	3.6
95.04999	1.1
95.08627	2.9
97.02891	1.1
97.06534	1.1
97.10165	1.6
103.07589	7.4
105.07039	3.3
107.04990	0.8
107.07082	2.4
107.08593	2.4
109.06534	0.5
109.10188	1.2
111.11755	0.6
113.06027	0.8
114.09178	0.6
117.07024	1.3
117.09142	4.0
119.08591	2.1
121.10120	1.1
127.03941	0.6
127.14852	4.1
129.07037	1.2
129.09085	0.6
130.08662	2.8
131.07063	6.2
131.08586	1.8
133.08614	75.0
134.08984	0.6
134.10268	0.4
135.08073	0.5
135.10190	0.5
135.11703	0.5
143.07483	0.4
143.08566	1.1
145.10136	1.5
147.11691	1.0
149.09647	0.9
149.13234	1.0
155.08540	0.5
157.08658	0.4
157.10138	0.6
159.11725	1.3
161.09628	0.6
161.11726	1.8
161.13072	0.5
163.11244	0.6
167.08678	0.5
169.10222	0.6
171.11615	0.6
173.04506	0.5
173.11746	0.6
175.09705	4.7
177.11238	33.1
184.07364	0.5
185.13322	0.5
185.19014	6.8
219.12215	2.2
221.13866	7.7
223.15126	1.2
229.21638	5.7
238.14326	0.6
239.14867	1.7
239.17769	0.4
263.14981	0.5
265.16541	2.2
275.20026	1.2
283.17609	2.1
309.18927	1.6
327.20090	1.9
353.21643	0.9
371.22961	2.0
397.24274	1.2
459.27911	1.3
485.29446	0.8
503.30719	9.5
525.35699	0.7
528.37286	1.2
543.36780	2.9
612.24634	1.2
612.34393	0.7
621.88666	0.5
625.31293	0.4
630.25946	1.1
644.27429	1.0
672.27380	3.6
686.39844	0.6
687.39008	0.8
687.48523	2.0
704.29669	1.1
704.40686	1.7
704.50867	7.0
705.40167	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	704.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01869	2.5
55.05511	12.9
57.03422	2.4
57.07081	11.1
59.05001	3.0
60.22904	0.4
61.02924	2.0
67.05508	4.5
68.75230	0.5
68.99796	1.1
69.03436	9.2
69.07070	100.0
69.93243	0.5
69.93594	2.5
70.06591	2.2
71.04996	1.8
73.02916	1.8
79.05522	1.3
81.03421	11.2
81.07062	4.7
83.04975	1.1
83.08620	38.5
84.08145	0.9
85.02908	17.3
85.06542	0.9
86.09689	1.1
87.00829	7.4
87.04478	2.1
89.06035	36.3
91.03982	0.7
91.05503	2.1
93.07063	1.6
95.04973	1.6
95.08614	4.2
96.03522	0.5
97.02895	6.9
97.06558	1.2
97.10201	1.6
98.97602	0.7
99.04455	4.0
103.07605	2.3
105.01854	4.2
105.07074	0.9
107.04962	0.8
107.07057	1.3
107.08599	1.5
109.02881	9.9
109.03593	0.8
109.06484	0.5
109.10162	1.5
111.04480	1.9
112.99876	0.5
117.01889	0.7
121.06493	1.5
121.10155	0.8
123.04485	0.8
123.11733	1.1
125.13270	5.5
127.03925	11.8
127.04797	0.9
129.01855	0.8
129.10265	0.5
130.08615	0.8
131.07065	1.4
133.08606	44.1
133.10217	1.2
135.11726	0.5
137.06013	1.4
137.09499	0.6
143.14317	16.7
143.15382	1.0
145.04980	2.1
145.10133	0.8
147.11705	0.9
149.13350	0.5
151.45044	0.5
158.02608	0.6
159.02858	2.8
161.15385	3.5
164.07008	0.5
164.78094	0.5
167.07074	1.3
175.09712	1.8
177.11221	9.0
193.06534	1.1
193.12386	1.3
193.14330	0.6
195.12352	1.4
201.18521	6.9
213.04016	1.5
219.01848	0.7
221.13834	11.2
231.05055	1.7
239.14897	29.9
245.21135	5.8
261.68900	0.5
267.15955	1.2
279.18051	9.2
283.17566	1.6
285.17020	1.3
289.09335	0.9
297.19186	5.3
421.31735	2.7
439.32687	71.2
440.33261	1.5
704.40326	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.5
57.03428	3.4
57.07080	100.0
58.04204	7.4
58.09155	1.6
59.05005	35.7
60.93510	1.5
67.05505	5.2
69.07057	4.5
70.01862	7.1
70.02210	2.6
71.08636	74.8
72.05781	12.6
73.02894	4.4
73.06558	14.0
74.03671	1.7
79.05471	1.7
79.38213	1.5
81.07049	6.3
82.07875	1.4
83.08594	2.1
85.06509	2.5
85.10185	60.3
86.07340	3.1
87.04474	18.1
87.08101	3.7
87.46353	1.6
88.05257	1.9
89.06036	21.2
90.01920	30.2
95.08585	4.8
97.10159	4.5
99.11726	9.9
101.06026	4.0
101.09636	2.3
102.06788	2.1
103.07584	7.7
107.08578	1.7
113.00014	4.2
113.13271	2.9
115.07583	2.1
116.08337	4.3
117.09138	18.6
131.07089	1.7
133.08615	10.3
135.12775	1.6
141.06963	1.7
145.10104	2.0
147.10135	2.8
152.15636	2.2
155.18005	7.9
161.11725	2.7
166.10634	1.6
177.11206	5.0
178.07129	5.5
180.12183	1.7
183.17471	2.9
194.13884	1.7
199.14725	1.6
208.15375	3.0
213.22127	15.6
222.09692	6.2
222.17009	3.4
223.15514	2.1
237.16541	2.1
252.18138	3.5
266.12302	2.1
266.19644	4.1
267.17853	2.5
271.26355	6.3
272.26675	2.3
285.17630	3.0
296.20682	3.9
310.22260	7.6
326.21774	5.2
340.23431	2.0
368.26535	2.3
376.34125	2.3
405.27353	1.8
416.21161	4.6
420.36929	4.5
464.39554	9.5
552.44556	13.7
568.43726	2.4
591.44238	8.2
596.46802	3.3
612.46790	3.4
652.67688	1.6
697.40253	1.9
703.31927	6.0
703.44714	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	702.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.7
54.35083	0.5
55.05516	2.2
57.03446	1.0
57.07076	100.0
58.07418	0.9
59.05003	23.4
67.05513	0.7
69.07078	1.9
69.40641	4.3
71.08632	68.8
71.98467	0.5
73.06567	1.0
75.64674	0.5
77.60835	0.5
81.07073	0.8
82.82696	0.5
83.08633	1.7
85.10183	61.8
87.04463	8.5
89.06033	60.4
95.08665	0.7
97.10191	1.7
98.20784	1.2
99.11738	13.0
101.06021	0.6
101.09677	2.4
103.07591	1.4
111.11751	0.9
113.13284	4.3
117.09127	5.8
130.08708	1.2
131.07022	3.1
133.08603	50.7
147.10208	1.0
155.17947	11.1
169.25778	0.6
175.09677	3.2
177.11223	20.8
213.22130	19.5
219.12347	1.4
221.13872	5.6
239.15012	0.7
265.16553	1.9
271.26331	8.0
283.17514	1.0
309.19241	1.7
327.20074	1.0
348.94919	0.6
353.22034	0.7
371.22879	0.9
397.24530	1.5
400.82224	0.5
415.25372	14.2
416.25912	1.1
455.28284	3.2
473.29767	1.4
513.32581	0.7
672.94373	0.8
685.50690	1.3
702.54388	7.0
703.47205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	3.1
53.03914	9.2
55.01843	10.9
55.05514	36.3
57.03411	12.9
57.07060	7.9
57.13611	2.6
59.04970	3.5
61.02901	4.6
65.03915	8.4
67.05509	87.4
69.03386	11.6
69.07073	35.5
71.04982	5.8
71.08611	5.4
78.20249	2.9
79.05495	69.9
79.30164	2.4
81.03421	24.9
81.07061	98.3
81.57953	2.8
83.01322	4.4
83.04954	11.4
83.08635	22.3
85.02858	9.6
85.06523	3.6
87.04435	3.9
89.05997	3.4
91.05484	64.3
93.06489	4.5
93.07048	63.4
95.01277	12.6
95.04973	20.5
95.08611	59.5
97.02851	9.7
97.06493	11.9
97.10133	12.1
99.04404	4.6
103.05410	4.8
105.04452	4.1
105.06404	3.5
105.07035	58.9
107.04927	13.7
107.08593	46.3
109.02858	4.5
109.06480	5.3
109.10163	21.3
111.04379	3.4
111.08038	7.5
113.09631	2.8
114.19457	2.8
115.05441	7.6
117.07024	37.8
119.07825	3.1
119.08584	39.8
121.02804	3.3
121.06517	21.0
121.10146	27.4
122.95490	3.2
123.04379	6.8
123.08035	6.1
123.11669	7.2
125.09577	9.6
128.06166	7.5
129.07025	33.0
130.07716	3.8
131.04890	3.2
131.07605	3.6
131.08571	48.2
133.06540	5.3
133.10136	29.4
135.04393	5.7
135.08000	7.4
135.11691	17.3
137.09515	5.5
141.06934	9.4
142.07719	7.9
143.08565	34.7
144.09319	3.3
145.06400	8.4
145.10129	43.2
147.04353	2.9
147.08029	5.1
147.11673	23.2
149.02225	3.3
149.09592	5.2
149.13226	12.4
151.03871	6.8
151.07423	3.0
155.08580	19.3
156.09305	4.6
157.09169	2.7
157.10126	31.2
159.07996	8.2
159.11693	26.2
161.06015	5.2
161.13277	13.4
163.03867	3.1
163.07416	3.7
163.11140	3.7
165.05460	4.1
165.06825	4.1
167.08438	7.4
169.10141	23.0
171.07939	4.0
171.11731	24.9
173.05954	6.3
173.09505	5.6
173.13260	15.2
175.03877	6.9
175.11169	3.9
177.12708	8.7
179.08501	5.3
181.10149	15.6
183.07964	5.4
183.11584	12.9
185.06006	3.7
185.09531	4.3
185.13261	15.2
187.11217	4.1
187.14833	2.8
189.11156	4.2
193.10062	7.7
193.12398	3.6
195.11618	9.7
197.09628	4.5
197.13222	15.3
199.11121	5.0
199.14720	9.2
201.12692	3.1
201.16245	4.7
207.11569	4.2
209.13231	7.2
211.11096	3.3
211.14801	8.8
213.16318	4.7
215.10645	2.9
221.04358	6.3
225.09001	3.2
225.12495	2.8
227.10571	4.1
229.36693	3.7
230.15366	4.7
233.11514	3.2
235.14755	3.7
237.16319	3.3
241.12088	3.5
241.19389	3.6
243.09987	5.9
259.20435	5.5
261.22015	8.7
269.11740	3.2
273.18274	3.0
283.24197	3.2
287.12622	5.7
291.19556	17.7
291.22354	3.5
305.13617	3.2
307.11627	3.0
311.25909	3.9
315.12137	6.7
315.22842	4.4
317.17694	2.9
333.13287	29.5
333.24164	5.7
335.25858	32.4
351.14224	6.3
417.31262	3.6
425.18085	13.6
427.19510	3.9
435.32629	15.0
453.33182	8.5
462.21918	3.4
481.32788	3.4
509.35672	9.6
511.32065	3.4
527.30273	4.3
527.37372	62.1
528.38098	26.2
529.38684	9.0
541.34827	4.6
547.33417	4.7
557.31708	5.0
559.35852	3.9
565.34613	4.3
575.33136	8.7
583.21655	3.5
593.34747	17.8
611.35675	36.3
629.36176	6.2
631.36145	3.0
667.38104	21.1
685.39392	51.1
703.39716	100.0
704.40668	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	702.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.05515	17.7
57.03443	15.3
57.07062	4.3
59.04989	6.1
61.02926	5.3
67.05507	100.0
69.07081	9.6
70.06604	2.8
70.08492	3.6
70.08891	5.7
71.04977	4.5
71.08658	2.1
73.02917	3.2
79.05061	3.0
79.05488	28.9
81.03417	4.6
81.07056	36.4
82.08222	1.8
83.05009	2.3
83.08630	9.1
83.09042	2.0
85.02886	6.1
85.06541	4.4
89.06014	2.4
91.03944	3.6
91.05479	41.8
93.07050	32.5
94.39845	1.7
95.08141	2.0
95.08620	22.0
95.84448	1.9
97.02893	2.7
97.10175	4.3
98.41146	1.9
99.08117	3.0
103.05439	2.0
105.06380	3.2
105.07041	40.0
107.08599	20.4
107.13378	1.9
109.10155	75.2
111.08097	3.3
117.07034	13.3
119.08577	36.3
121.06525	4.1
121.10187	15.2
125.09638	2.2
129.06961	4.8
131.08531	12.0
131.09395	1.8
133.10135	25.8
135.07954	1.9
135.11682	12.6
137.09605	4.1
143.08588	4.6
145.10106	12.9
147.11679	29.4
149.02362	5.1
149.13231	6.4
155.10664	4.9
157.10117	6.5
159.11664	11.9
161.13263	19.5
162.20450	1.8
166.69594	2.0
171.11678	7.8
173.11740	20.8
173.13275	7.9
175.14841	7.1
183.11562	2.1
185.13229	5.4
199.14870	4.3
227.12794	9.1
229.14343	79.4
231.21043	7.9
241.19511	22.2
256.26437	4.2
259.20584	71.9
261.22177	4.9
333.24252	58.4
434.18979	1.9
487.34164	30.6
505.35345	32.8
509.33328	2.2
527.37250	3.2
540.37103	9.3
573.47729	2.4
634.10852	1.8
702.40668	16.4
708.82526	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	702.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01864	3.2
55.05512	46.2
55.47987	1.1
56.61746	1.3
56.69786	1.2
57.03440	13.9
57.07074	6.9
57.67722	1.2
58.30451	1.2
58.62539	1.2
59.05003	9.5
61.02914	3.3
65.03936	2.4
67.05504	50.6
68.95878	1.3
69.03434	7.7
69.07072	17.9
71.08610	5.6
71.56734	2.2
73.02905	2.8
79.05064	2.6
79.05492	29.3
81.03397	2.0
81.07062	41.7
83.04971	5.1
83.08154	2.1
83.08620	31.6
85.02892	3.2
85.06542	2.5
85.10159	4.0
86.32951	1.3
87.04474	8.6
87.40524	1.3
89.06019	5.6
91.05483	15.3
91.79645	1.3
93.07044	33.4
95.04958	2.8
95.08612	27.4
97.02836	1.8
97.06480	1.8
97.10173	63.5
103.07561	2.1
105.07037	9.3
107.04935	1.6
107.08606	32.2
109.06527	1.6
109.10154	17.5
111.08081	2.6
117.01854	3.3
117.06988	6.4
119.08607	8.7
121.06455	2.1
121.10147	15.7
123.11697	3.5
125.09634	58.1
126.86663	1.2
128.33963	1.5
129.06958	1.7
131.07034	3.4
131.08546	7.3
133.08611	2.2
133.10132	7.5
135.08025	5.2
135.11713	9.3
143.08551	2.4
143.10675	3.0
145.10080	6.7
147.11685	3.0
149.13235	6.2
153.09105	3.0
157.31654	1.4
159.11676	4.6
161.13252	2.8
163.14783	3.4
171.10150	5.7
173.13193	4.1
177.11073	1.9
187.14778	3.3
189.11229	45.3
189.12953	2.7
198.61130	1.5
200.94525	1.3
227.12790	77.6
243.21036	5.4
245.13855	100.0
246.14151	1.5
261.22159	23.4
271.22885	1.8
279.23257	3.7
290.00821	1.3
317.24881	3.7
335.25812	69.4
336.26089	2.3
431.31635	2.6
448.72180	1.6
487.34061	8.8
496.22491	1.5
505.28061	2.8
505.35242	45.7
523.36176	4.4
527.37585	1.7
578.47400	1.7
670.26215	1.6
685.37988	2.4
702.28015	4.0
702.47235	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	702.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01868	3.3
55.05513	41.8
55.68433	1.0
57.03438	14.1
57.07076	6.1
58.07372	1.5
58.21182	1.2
59.04986	3.5
61.02919	2.7
65.03945	2.0
67.05507	53.4
69.03439	5.8
69.07069	13.9
69.71957	5.2
71.08640	5.6
73.02921	2.2
79.05062	2.2
79.05497	33.0
81.07060	48.2
83.04970	5.0
83.08619	32.0
85.02888	3.4
85.06570	2.8
85.10187	2.2
87.04463	3.1
89.06043	6.4
91.05486	14.6
93.07046	38.6
93.07632	2.2
95.04952	2.2
95.08615	30.1
97.02892	1.5
97.06512	2.1
97.10174	62.5
101.09682	1.3
105.07025	10.4
107.08603	29.8
109.06559	1.5
109.10157	15.0
111.08064	2.0
117.07034	5.5
119.08585	9.6
121.06451	1.4
121.10146	15.4
123.04430	1.1
123.11684	4.9
125.09637	61.7
126.56350	1.0
131.08565	6.6
133.08658	3.1
133.10130	7.4
135.08067	7.1
135.11716	11.6
137.13254	1.3
143.10706	1.9
145.10098	6.7
147.11697	4.5
149.13321	4.0
153.09097	5.0
159.11711	4.6
161.13251	3.3
163.14844	4.4
171.10190	4.6
173.13248	4.8
175.14807	1.9
177.16405	1.4
184.07466	1.3
187.14867	2.9
189.11232	42.5
227.12776	76.5
227.20081	7.7
243.21143	6.3
245.13863	100.0
246.14154	1.3
261.22134	27.6
279.23203	3.4
317.24789	3.6
335.25806	92.8
336.26004	1.9
405.83234	1.3
467.37949	1.2
487.34061	9.3
505.35269	72.6
506.35471	1.9
523.36011	3.6
608.05011	1.3
684.48120	1.3
702.48328	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	702.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01876	3.1
55.05512	36.0
57.03434	3.5
57.07076	14.6
59.05003	16.9
61.02932	2.7
67.05499	3.5
68.99780	1.4
69.03071	1.0
69.03430	12.1
69.07069	28.5
70.06589	0.8
71.01367	0.6
71.04979	2.7
71.08633	3.9
71.38587	0.9
73.02914	1.5
75.04481	0.6
79.05473	1.6
81.03416	15.6
81.07069	7.1
83.04984	2.5
83.08619	100.0
85.02908	23.9
85.03432	0.8
85.06543	1.2
87.00829	9.0
87.04470	0.8
89.06032	9.7
91.03962	1.1
91.05503	1.2
93.07040	2.0
95.04974	2.8
95.08610	3.6
97.02892	7.9
97.06529	1.5
97.10170	33.8
99.04457	5.2
99.08056	0.6
101.02400	1.0
101.06008	0.8
103.03952	0.8
104.29267	0.6
105.01877	5.6
105.07032	1.0
107.07086	1.6
107.08577	1.0
109.02882	18.1
109.06565	0.7
109.10136	1.6
111.04468	3.2
111.11732	1.6
117.01864	0.8
117.05577	0.6
117.09138	6.2
121.06511	1.9
121.10172	0.6
125.05986	1.0
127.03924	18.0
129.01842	1.1
131.08641	0.6
133.08638	1.7
133.10066	0.8
137.06000	0.9
137.13280	1.2
139.14847	1.6
143.14380	0.9
145.04924	3.0
145.08597	0.7
145.10109	0.7
147.02902	1.1
147.10178	3.9
149.06003	1.2
151.09625	0.7
154.93814	0.6
155.14328	4.5
157.15881	23.6
159.02863	3.0
165.11206	1.9
167.07104	2.1
171.17384	0.7
175.16919	5.9
177.14925	0.6
185.08057	1.2
189.04051	1.8
198.18622	0.7
205.14386	4.7
209.13681	0.6
211.17058	0.7
213.03951	3.6
215.20064	21.3
223.15421	3.8
229.21909	0.9
231.05014	2.5
233.21115	1.4
263.18686	2.9
265.17902	1.2
273.24240	22.4
283.19128	1.1
289.09308	2.0
291.25314	0.8
323.22055	0.9
331.28192	2.8
332.71802	0.6
419.33569	2.2
427.23285	0.9
437.34766	41.3
438.34845	0.7
522.34546	0.8
702.37024	0.7
712.84851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28399	0.9
53.03937	3.6
55.01861	2.5
55.05511	55.6
57.03437	4.9
57.07073	15.9
59.05006	15.3
61.02914	3.3
67.05482	4.5
67.43561	1.0
68.40784	1.2
68.99801	1.1
69.03432	13.9
69.07068	53.9
69.93961	2.0
69.94371	3.4
71.04987	3.5
71.08277	1.6
71.08630	16.1
73.02897	3.8
79.05489	1.6
81.03413	18.3
81.07056	6.9
83.04964	4.1
83.08620	77.0
85.02903	32.1
85.03426	1.1
85.10182	1.6
87.00829	12.9
87.04421	2.9
89.06030	24.1
91.03956	1.4
91.05481	2.7
93.07034	1.5
95.04948	3.7
95.08609	9.5
97.02901	14.3
97.10172	100.0
98.20766	1.5
99.04460	7.0
99.08105	1.6
101.09674	1.0
103.03931	2.1
103.07590	5.8
105.01856	8.0
105.07060	1.5
107.07072	1.7
107.08562	1.3
109.02879	26.0
109.10149	3.6
111.03778	1.0
111.04475	5.8
111.11722	19.6
113.06004	1.3
117.01899	1.2
117.09115	4.0
119.08596	1.5
121.06501	2.2
124.99964	1.2
125.05996	1.8
127.03922	22.6
129.01836	2.0
131.07047	2.0
133.08612	16.6
133.10147	1.2
137.05992	2.3
145.04979	5.8
147.10210	1.3
149.06000	1.7
151.03946	1.0
151.07520	1.5
151.09677	6.3
151.39035	0.9
155.63083	1.2
157.15865	5.3
159.02876	4.0
167.07011	2.9
169.15860	4.9
171.15990	2.2
171.17445	35.2
176.65828	1.1
184.07376	1.0
185.08119	1.9
189.03822	1.3
189.18510	9.6
191.12785	15.2
205.81305	0.9
209.13863	11.9
213.03923	4.4
215.20056	3.1
229.21640	28.5
230.15181	1.2
231.05013	3.9
247.22565	1.6
249.16975	8.0
267.18100	1.6
273.24338	2.6
287.25784	22.5
289.09250	2.4
313.63821	1.1
379.30615	1.3
436.34811	1.3
437.34753	78.1
438.34933	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	700.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01870	1.3
55.05261	1.0
55.05514	13.0
56.13978	0.6
57.03181	1.1
57.03441	10.3
57.07074	6.0
59.05003	1.7
61.02930	4.1
65.03932	2.2
67.05506	65.3
68.05840	0.7
69.03436	2.1
69.07066	11.4
70.31781	0.6
71.04991	5.9
71.08627	4.3
73.02924	1.8
73.06562	0.8
76.39032	0.6
79.05495	24.8
81.03457	1.0
81.07060	100.0
82.07393	0.9
83.04979	2.2
83.08614	6.2
85.02902	4.1
85.06546	10.1
85.10179	1.9
87.04490	1.3
89.06036	1.0
90.23744	0.6
91.03951	2.1
91.05483	16.1
93.07047	25.1
95.04972	2.2
95.08611	25.0
95.09229	0.7
97.02910	2.3
97.06527	1.1
97.10171	3.4
97.75076	0.6
99.08153	1.1
103.66764	0.6
105.07030	9.4
107.08592	15.2
109.06538	0.9
109.10159	12.9
111.08101	0.6
117.07016	2.7
119.08578	4.8
121.10153	10.4
123.08164	1.3
123.11710	15.8
125.09647	1.0
127.07581	1.0
131.08566	4.7
133.08678	0.8
133.09009	0.6
133.10126	11.5
135.11705	6.2
136.06248	1.1
137.13298	1.1
139.11176	1.0
143.08665	0.7
145.10118	3.9
147.11693	2.9
149.13269	3.6
151.11180	5.5
159.11688	3.3
161.13324	2.9
163.14876	1.7
169.12288	1.6
173.13338	1.8
175.14838	1.0
187.13304	9.5
187.14845	1.5
203.12819	0.9
227.20090	6.2
241.14368	2.9
243.15930	74.5
243.21094	4.4
261.22153	11.6
278.22101	0.9
317.24896	2.1
335.25806	71.7
336.26355	1.1
352.25211	0.8
366.38770	0.7
411.33142	0.8
503.37302	61.2
504.37979	1.1
521.38470	2.6
571.46521	1.3
655.31915	1.0
700.44489	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	700.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05145	1.0
53.99799	1.0
55.05496	3.9
57.03431	1.2
57.07079	100.0
57.74073	0.9
59.04703	1.6
59.05004	37.7
67.05503	4.5
69.07068	3.8
71.08634	71.5
71.56493	0.9
78.59084	1.1
79.05482	2.4
81.07035	2.2
83.08601	3.7
85.10186	61.2
87.04475	2.7
89.06030	16.4
91.05482	1.5
93.07027	2.0
95.08594	2.4
97.10150	4.0
99.08101	2.0
99.11740	13.5
101.06005	1.1
101.09668	4.9
103.07599	1.5
107.08583	1.2
111.11729	1.7
113.00019	2.0
113.13280	6.2
117.09139	18.7
120.61384	1.0
128.43884	1.0
130.08635	1.2
131.07104	0.9
133.08609	14.6
146.55759	1.1
155.17957	11.7
159.13805	1.1
175.13333	2.8
177.11244	3.6
191.12733	1.2
213.22142	23.3
221.13881	1.1
239.14975	4.9
254.24799	3.3
262.44702	0.9
271.26324	31.9
297.19058	3.1
329.30365	2.7
355.23175	2.0
391.65329	1.0
444.57358	1.2
571.47302	10.1
634.02203	1.2
683.52539	1.2
700.55255	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	701.4599
Annotation	Desacetylnyalolide
Peak:m/z	Relative Intensity
53.72562	0.4
55.05507	1.2
57.03432	0.9
57.07080	2.1
59.04984	1.1
67.05508	3.0
69.07077	1.6
71.08639	3.7
74.35697	0.4
75.30061	0.4
79.05498	2.1
80.87572	0.4
81.07072	3.8
83.04975	0.7
83.08632	1.2
85.10190	1.5
87.04472	0.5
87.73904	0.4
88.08850	0.4
89.06044	0.7
91.05500	1.4
92.29901	0.4
93.07064	2.2
95.04987	1.0
95.08610	1.6
97.06549	0.6
97.54337	0.4
98.20739	1.0
105.07052	1.3
107.08588	1.0
109.10166	0.8
119.08595	0.9
121.10112	0.6
133.08640	0.5
136.06215	0.5
145.10159	0.7
161.13266	0.5
163.11198	0.5
174.83128	0.4
198.58353	0.4
201.63237	0.4
243.23158	0.6
333.20364	4.7
335.21994	4.2
389.22910	2.5
389.27542	0.4
391.24609	2.5
518.47974	0.5
701.46039	100.0
702.45935	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	700.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93417	0.8
53.03938	0.9
55.05514	5.1
57.03445	6.1
57.07079	40.1
59.04988	1.1
61.02927	13.7
63.82469	0.9
67.05509	15.0
69.03414	1.8
69.07069	9.6
69.59270	3.4
69.59688	2.7
71.04992	1.6
71.08636	35.5
73.02918	5.7
74.80103	0.8
75.04478	2.7
79.05486	2.6
81.07059	20.3
83.08624	10.4
85.02428	1.3
85.02910	17.5
85.10185	20.2
86.04488	1.0
87.04503	1.1
89.06036	2.2
91.03960	13.6
91.05458	1.1
92.21567	0.8
93.07062	1.6
93.21041	0.8
95.08614	26.3
97.02882	7.3
97.06518	0.8
97.10162	10.8
98.46239	0.9
99.04497	0.9
99.11722	2.5
103.07621	1.1
105.07015	1.0
107.08632	1.1
109.02882	1.0
109.10162	11.1
111.11742	4.4
119.08564	1.3
123.11736	5.9
125.68792	0.9
127.03919	6.7
136.06139	2.5
137.13292	2.4
145.04964	7.7
163.06038	13.4
184.07408	2.8
249.25800	1.6
267.26865	19.4
281.33759	0.9
285.27972	3.4
306.94415	0.9
326.31006	1.2
333.20303	2.2
334.20663	1.5
341.30515	100.0
341.96155	1.1
342.30957	2.6
359.31549	43.0
369.53946	1.0
380.67960	0.9
389.22977	1.7
390.23373	1.8
390.45673	0.8
700.44781	49.6
701.45752	2.8
734.70483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.3
53.19737	2.4
55.01870	4.7
55.05512	38.6
57.03429	10.3
57.07063	11.0
57.10611	2.9
59.05007	3.5
65.03931	5.3
67.05509	100.0
69.03429	3.1
69.07072	25.6
71.04979	6.7
71.08639	19.9
79.05063	4.7
79.05495	61.7
79.24995	2.5
81.03408	10.0
81.06583	5.8
81.07061	96.1
83.04987	15.5
83.08629	23.6
85.06549	5.0
85.10166	2.6
86.99368	2.4
89.05997	3.2
91.04899	2.9
91.05482	56.2
93.06481	5.1
93.07053	73.1
94.15962	2.2
95.04973	18.1
95.08610	51.3
97.01889	2.3
97.06544	8.4
97.10162	11.5
99.04461	2.7
99.08100	16.0
105.07041	36.6
105.70964	2.9
107.04939	4.1
107.08605	32.5
109.06522	5.4
109.10162	23.8
111.08121	6.7
117.07018	17.1
119.08582	24.0
120.12236	3.2
121.06527	5.5
121.10160	20.9
123.08080	2.6
123.11723	6.9
125.09624	5.6
129.07007	6.7
131.08556	19.0
133.10130	24.7
135.08020	2.9
135.10838	2.8
135.11688	18.1
139.11150	4.6
143.08548	7.2
145.10139	10.5
147.11687	18.4
149.09589	3.2
149.13269	23.4
151.11214	21.4
155.08583	4.1
157.10127	5.6
159.11705	10.6
161.13277	8.2
163.11165	10.0
165.12799	6.2
171.11624	6.1
173.11728	4.5
175.14841	5.5
177.12810	3.8
179.14320	5.8
183.16534	2.6
189.11267	6.6
195.13794	10.6
197.13188	3.2
199.14935	3.4
213.14819	5.1
227.12793	9.5
229.14352	9.1
241.19734	3.6
251.16463	5.7
259.20599	9.1
267.16049	4.0
269.17468	43.3
275.20142	2.8
277.21631	32.7
293.21194	3.2
351.25287	43.0
367.24832	4.1
423.27319	6.4
435.32175	3.9
445.29697	3.1
447.30548	4.9
453.32980	3.6
461.91739	3.1
463.30643	55.8
505.35025	3.5
510.47675	2.9
527.37524	7.6
545.38428	40.9
563.39636	10.2
627.45746	3.7
698.43457	13.5
699.44330	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
57.03443	1.2
61.02927	3.9
67.05507	2.8
69.03431	2.6
69.07069	1.7
71.04984	0.8
73.02920	3.4
74.20548	0.4
79.05489	1.2
81.03420	1.4
81.07067	7.5
83.04985	1.0
83.08614	0.9
85.02908	5.0
91.03960	2.3
91.05484	3.2
93.07048	1.3
95.08618	2.5
97.02900	3.6
97.06547	0.8
99.04452	1.0
99.08101	0.7
101.02395	1.6
104.40115	0.4
104.73475	0.4
105.07032	3.5
107.08607	1.4
108.03907	0.5
109.02875	1.0
109.10139	0.7
113.60439	0.5
119.08585	3.2
121.10151	2.4
123.11720	2.5
127.03944	2.0
137.06006	2.0
147.11687	7.5
164.07050	0.6
165.12752	3.4
169.58490	0.5
185.71330	0.5
186.04037	0.5
203.05276	1.4
213.09729	0.6
215.11252	0.5
243.08398	0.9
251.11432	2.5
267.16006	0.6
269.12341	5.1
272.95627	0.5
285.17047	1.0
287.13406	3.4
292.14142	0.6
307.15225	1.7
325.14987	1.9
469.20081	17.6
470.20001	0.5
472.19803	0.5
487.20694	1.7
522.63403	0.5
535.28046	2.6
696.44592	0.7
697.33978	100.0
697.44012	4.4
698.33972	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	697.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47863	1.5
55.05496	2.1
57.03427	2.6
61.02930	7.4
67.05506	15.0
69.03421	2.5
69.07072	2.7
69.82995	3.8
69.83388	3.3
71.01353	1.4
73.02923	5.6
79.05493	4.7
81.03422	4.8
81.07057	8.8
83.08622	3.1
84.78473	1.6
85.02906	8.9
89.80862	1.4
91.03990	7.1
91.05470	5.7
93.07030	4.1
94.05138	1.8
95.08601	4.9
97.02889	8.3
97.10191	1.5
98.21407	2.2
100.06505	1.5
101.02352	2.4
104.40092	1.5
105.07038	2.2
107.08611	4.1
109.10165	13.6
112.99090	1.6
119.08608	1.7
121.10194	1.8
127.03888	3.7
133.10126	1.9
137.05940	1.5
155.10713	1.9
155.50133	1.6
173.11902	3.5
184.07428	1.7
185.04132	3.6
195.10152	1.7
220.09740	1.6
225.13083	1.6
229.14398	3.1
232.95337	1.6
243.08417	5.3
251.04265	1.5
272.73001	1.5
301.08893	5.5
315.10629	2.8
337.88901	1.6
369.14960	3.9
371.16510	2.4
385.18619	2.3
413.17801	23.5
425.21475	4.2
427.97498	1.8
429.17139	3.6
453.20724	8.3
484.22528	1.6
485.20038	9.5
493.05536	1.6
541.26001	3.8
567.31348	19.8
596.31256	10.4
597.32520	2.3
625.31934	100.0
626.32214	3.2
628.30664	6.0
651.33868	4.1
669.34479	2.0
697.34167	46.5
697.45233	4.4
727.25183	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26384	2.0
52.26618	2.0
53.03939	6.9
53.99764	1.8
55.01876	11.6
55.05264	2.7
55.05514	45.8
57.03444	14.0
57.07065	6.1
59.05001	1.7
59.95024	1.6
64.37464	1.8
65.03944	5.9
67.05509	100.0
69.03444	4.2
69.07069	43.2
69.43762	1.7
71.04996	7.0
71.08094	2.8
71.08246	2.3
71.08636	18.5
72.05061	1.6
77.03909	1.8
79.05498	72.9
80.72086	1.7
81.03426	9.3
81.07059	99.5
83.04988	13.6
83.08620	25.3
85.06548	5.8
88.40154	1.7
89.06057	2.8
91.05486	64.7
93.07049	82.7
95.04966	18.6
95.08617	50.7
97.06544	18.6
97.10178	20.7
99.08105	12.1
103.05520	2.2
105.04533	2.2
105.07034	42.3
107.04974	9.3
107.08601	49.4
109.06516	10.8
109.10155	27.5
111.08080	6.7
113.09621	2.7
115.05432	3.0
117.07017	22.3
119.08594	36.8
121.06493	6.0
121.10148	21.9
123.08073	5.7
123.11687	7.0
125.09641	15.5
129.06985	8.4
131.08574	23.4
133.10150	28.9
135.08083	8.9
135.11685	19.8
137.09601	7.2
139.11153	2.6
141.06985	2.5
143.08554	9.0
144.09332	2.8
145.10130	24.8
147.08043	3.5
147.11697	17.3
149.09628	11.3
149.13277	15.3
151.11189	13.5
153.12755	1.9
155.08603	2.2
157.10150	9.9
159.11711	20.0
161.09549	2.6
161.13229	9.2
163.11211	11.6
163.14758	2.0
165.12729	4.3
169.10103	4.9
171.11678	6.5
173.09586	1.8
173.11708	5.2
173.13318	6.7
175.11238	3.6
175.14894	3.3
177.12755	5.2
179.14307	5.8
183.11749	4.9
185.13240	4.4
187.14864	3.5
189.11212	11.0
192.08923	2.0
195.13800	8.3
197.13298	2.6
201.12866	1.9
211.14854	2.4
227.12784	35.6
229.14259	9.0
229.19493	3.2
231.21132	3.2
239.18004	2.7
241.19542	4.7
245.13911	3.2
253.17955	3.7
255.16008	5.9
257.19122	9.3
259.20593	5.9
267.15884	3.2
269.17465	28.0
275.20084	33.6
277.21597	20.1
325.00107	2.1
335.25699	3.0
336.88516	2.0
349.23770	23.4
351.25305	20.1
362.29456	2.3
367.24606	3.0
369.26059	2.2
380.39133	1.8
385.51984	2.0
421.25409	2.3
423.27545	4.2
425.25220	2.2
431.27939	2.3
439.27103	3.3
447.30981	5.3
449.29108	8.1
463.30637	16.2
503.33356	3.6
517.38098	3.0
521.34961	2.3
525.35608	3.0
527.37518	4.3
527.46741	2.3
531.36731	3.4
543.36780	22.5
545.38379	17.1
561.37781	4.5
625.44263	6.2
696.41858	2.4
696.54248	9.8
697.42859	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	696.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.5
55.01871	9.1
55.05263	3.9
55.05511	45.2
57.03444	12.3
57.07078	5.4
59.04987	3.8
61.38420	1.9
65.03940	4.2
67.05510	100.0
69.03419	3.1
69.07071	38.3
70.24506	4.2
70.24895	4.3
71.04982	4.5
71.08638	15.5
71.56409	1.9
79.05498	65.2
81.03412	7.7
81.07063	83.7
81.12518	1.7
83.04983	12.6
83.08620	25.3
85.06538	3.6
91.05484	60.5
93.07050	63.1
95.04971	18.9
95.08049	3.6
95.08613	45.2
95.09229	2.2
97.06535	17.8
97.10191	26.0
99.08109	10.3
101.84060	1.7
103.05441	1.8
105.04545	2.5
105.07032	46.9
107.04973	6.1
107.08599	43.9
109.06515	5.3
109.10173	25.3
111.08083	6.2
113.09624	3.0
115.05495	2.0
117.07031	20.9
119.08592	33.2
119.09378	3.5
121.06525	6.8
121.10146	18.3
123.08069	5.1
123.11726	3.6
125.09637	20.3
129.07019	10.2
131.08565	24.0
133.10139	28.5
135.08072	5.0
135.11697	18.2
137.05981	2.7
137.09651	4.6
141.06964	4.7
142.54028	2.0
143.08575	8.2
145.10133	21.5
147.11697	18.9
149.09621	10.9
149.13271	9.9
151.11185	14.8
153.09129	3.3
155.08617	2.1
157.10182	7.0
159.11708	13.7
161.09653	2.0
161.13284	9.9
163.11220	11.8
163.14722	2.4
165.12860	2.4
167.08525	2.3
169.10182	4.0
171.11736	7.4
173.11742	4.8
173.13301	5.5
175.11186	2.5
175.14783	2.0
177.12767	6.4
179.14339	7.1
183.11722	5.3
185.13266	6.6
189.11238	13.2
195.13818	4.5
197.13258	4.3
199.14833	2.0
201.16447	2.7
227.12778	34.1
229.14372	5.8
229.19444	2.9
239.17987	3.6
245.13754	2.2
253.18050	3.8
257.19067	8.4
259.20575	5.2
269.17444	20.4
275.20081	32.5
277.21686	18.6
293.21133	4.2
295.22952	2.3
333.24252	2.7
349.23746	22.5
351.25351	22.4
360.28796	2.5
361.29309	5.1
373.37128	1.9
421.25970	3.0
423.27420	7.5
431.27686	2.5
433.30792	2.1
439.27255	3.9
447.31213	3.5
449.28955	3.8
463.30435	4.8
503.33447	2.9
505.35583	3.7
519.32599	2.7
521.34613	2.4
525.35321	3.5
527.37585	3.9
531.36499	2.8
543.36804	22.7
545.38495	9.2
625.44495	7.0
643.45319	4.1
696.55389	13.4
697.42767	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.457
Annotation	(+)-Concanamycin F
Peak:m/z	Relative Intensity
52.08170	2.5
53.03927	9.1
55.01863	7.2
55.05512	35.8
57.03425	7.7
57.07063	6.0
59.05003	3.3
67.05508	97.6
69.03430	24.8
69.07066	26.5
70.67873	2.3
71.04971	7.7
71.08615	3.8
71.57156	2.5
79.05063	3.7
79.05495	41.8
79.40952	2.3
81.03419	39.1
81.07062	93.3
83.04994	15.5
83.08639	22.0
85.02897	5.5
85.06538	6.3
91.05482	38.7
93.07043	50.5
95.04959	10.3
95.08614	100.0
97.02900	14.1
97.06519	9.8
97.10153	7.6
99.04449	6.0
99.08099	6.8
104.28484	2.5
105.06361	4.2
105.07036	33.1
107.04932	3.3
107.08596	28.1
109.02847	9.8
109.06548	5.0
109.10162	32.2
111.04437	9.5
111.08057	4.2
113.06068	2.9
117.07048	13.8
119.08584	28.1
121.06494	5.7
121.10156	19.8
123.08100	3.6
123.11724	6.0
127.03893	7.5
128.06198	3.2
129.05437	6.8
129.07031	4.4
131.08594	17.1
132.83446	2.8
133.06482	5.9
133.10135	21.2
135.08055	6.9
135.11665	12.9
137.05922	4.0
137.09668	3.1
137.13226	5.2
141.06944	3.3
143.08557	9.3
145.10158	15.0
147.11678	11.0
149.09615	4.6
149.13239	13.6
151.07629	3.6
151.11177	3.7
155.08565	5.0
157.10114	10.6
159.08073	5.2
159.11682	11.5
161.13246	15.0
167.14313	3.9
169.10133	4.4
171.07961	3.9
171.11673	7.3
173.13315	6.9
177.12695	3.9
179.14313	8.8
181.10181	3.0
183.11702	3.2
185.09697	3.6
185.13281	7.6
187.07494	2.7
187.11160	3.5
215.16270	4.4
231.15970	10.0
238.39915	3.3
261.22095	5.0
269.17422	10.3
271.19034	43.4
277.21646	5.4
287.18527	4.1
301.21500	6.5
316.29150	3.2
317.24808	3.2
335.25800	7.9
337.27341	6.9
341.19504	4.9
345.24130	3.8
351.23270	6.4
369.24356	13.5
371.25797	3.3
375.25244	2.7
387.25296	11.1
397.22406	2.8
405.26443	3.7
415.23273	6.1
443.27673	5.1
461.28799	7.7
479.29837	8.3
485.20306	2.9
520.36456	3.0
522.47046	3.4
531.40405	14.7
549.41071	3.9
639.42126	7.6
657.43274	11.9
675.44635	38.1
693.45581	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38192	0.8
53.03938	3.2
55.01873	4.7
55.05265	1.3
55.05515	18.5
57.03435	5.7
57.07069	3.0
59.04990	1.3
63.17875	0.9
64.22980	0.8
65.03951	2.7
67.05508	43.9
69.03425	2.5
69.07074	25.6
71.04987	3.1
71.56281	1.6
74.84532	0.8
79.05499	35.3
81.03432	3.0
81.07061	38.9
83.04987	5.2
83.08620	10.3
85.06538	1.6
87.04491	1.3
89.06062	1.3
91.04896	1.3
91.05484	31.2
93.07047	32.7
95.04971	7.1
95.08100	0.7
95.08612	20.6
97.06532	8.4
97.10179	9.1
99.08119	1.0
103.05484	1.5
105.04565	1.1
105.07037	30.3
107.04947	6.4
107.08598	25.5
107.09303	1.9
109.06548	4.6
109.10160	13.2
111.08081	2.5
113.09640	1.1
115.05448	1.3
116.26227	0.9
117.07016	13.3
119.08584	20.7
121.06522	1.9
121.10159	10.2
123.08108	3.1
123.11716	3.6
125.09645	8.3
128.06204	1.1
129.07013	4.8
130.07779	1.4
131.08575	14.2
133.06503	1.2
133.08609	1.1
133.10136	17.5
135.08086	3.1
135.11694	8.3
137.05910	1.0
137.09616	2.0
141.07030	1.5
143.08585	4.6
144.09387	1.5
145.10130	11.6
147.11694	8.4
149.09650	9.4
149.13260	3.7
153.47853	0.9
155.08597	2.5
157.10175	4.1
159.11690	10.6
161.05989	3.2
161.09648	1.5
161.13293	3.3
162.31169	1.1
163.11221	4.9
165.09001	1.0
168.09435	1.3
169.10126	3.1
171.10315	1.8
171.11742	4.7
173.11824	1.3
173.13271	3.8
177.12819	3.4
179.14378	2.6
181.10091	1.3
183.11713	2.7
185.13345	2.6
187.11220	1.2
187.14824	1.7
189.11238	5.7
189.12801	1.0
195.13794	1.7
197.13210	2.1
203.14249	1.0
209.13358	1.4
211.14806	1.3
225.16428	1.0
227.12811	17.1
229.14401	3.7
229.19637	1.5
239.18056	2.6
245.13907	1.8
247.20659	1.6
255.15973	4.0
257.19003	7.4
269.17477	7.8
275.20074	25.8
293.21011	2.4
331.22626	1.1
335.25565	1.0
349.23746	19.8
350.24368	1.1
365.23648	1.0
409.26306	1.6
421.26089	1.2
423.27509	2.6
431.27933	1.0
439.26962	2.1
449.29120	1.9
463.30542	1.3
503.33591	1.9
529.35315	3.1
543.37042	12.0
623.43304	2.7
632.45197	2.5
641.44342	1.6
676.47577	1.8
694.47919	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.367
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96472	0.3
57.81692	0.3
60.21641	0.3
67.05445	0.5
69.03368	0.4
69.88022	1.6
70.06519	0.3
73.10076	0.3
76.95138	0.3
79.05427	0.5
81.03358	0.5
81.06988	0.6
83.01027	0.7
85.02837	0.6
86.09640	0.5
91.03906	0.3
91.05399	0.4
93.06976	0.5
95.04826	0.4
95.08556	0.4
97.02837	0.4
98.97517	0.4
105.06967	0.5
107.04874	0.4
107.08549	0.4
111.04077	1.0
119.19267	0.3
125.66934	0.3
127.03683	1.8
137.05977	0.4
145.04936	0.5
145.09930	0.4
147.11743	0.3
155.06715	0.6
171.06184	1.1
271.05963	0.3
287.14401	0.5
357.22247	0.3
363.96713	0.3
371.24039	1.0
385.25662	0.9
387.82382	0.3
393.28119	0.3
399.27094	0.5
427.30219	2.6
443.29800	3.6
445.31339	9.5
473.30917	14.0
474.31042	0.4
487.32208	3.0
488.32199	0.3
499.31360	0.3
503.31946	0.4
529.33850	0.6
555.34808	0.5
589.26160	0.6
589.35626	12.6
607.36676	47.4
608.36963	1.1
649.37726	73.1
650.37799	1.6
665.77338	0.3
668.77435	0.3
693.36713	100.0
694.37128	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	693.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31820	0.0
60.57311	0.1
60.77120	0.0
61.02646	0.1
61.02932	1.2
65.03944	0.1
67.01867	0.5
68.99767	0.3
69.00086	0.0
69.03423	0.2
69.45466	0.1
69.45879	0.2
70.06593	0.1
73.02895	0.0
79.33156	0.1
81.03405	0.1
81.07021	0.1
83.05010	0.1
84.08156	0.1
85.02907	0.9
91.05476	0.4
93.07057	0.1
95.01318	0.1
95.05019	0.1
95.08633	0.1
97.02894	0.4
98.97552	0.1
107.08602	0.0
109.02868	0.1
111.00816	0.1
113.02378	0.7
117.07040	0.0
119.04949	1.8
121.02869	0.7
127.03911	0.2
129.01819	0.1
131.04984	0.0
135.11664	0.1
137.06009	0.1
141.01843	0.1
141.06946	0.1
145.02843	0.7
145.04976	0.1
145.06529	0.1
145.10175	0.1
151.07466	0.1
153.01837	4.4
159.02928	0.1
163.03920	0.4
169.06432	0.1
171.02911	0.5
177.05492	0.1
187.03925	0.2
197.06067	0.1
201.03888	0.3
203.07086	0.2
225.05392	0.3
229.05011	0.3
243.06403	0.3
247.06131	0.2
253.04883	0.3
270.05017	0.1
271.06015	100.0
272.06332	1.2
283.05960	0.1
313.07095	0.1
319.12854	0.1
349.07202	0.1
433.11139	0.4
693.15662	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	693.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53801	0.1
58.48734	0.1
59.71991	0.1
61.02690	0.1
61.02931	1.0
67.01865	0.4
68.99826	0.2
69.03436	0.1
69.07082	0.1
69.98446	0.4
70.06596	0.1
77.02818	0.1
81.03437	0.2
85.02887	0.5
86.09722	0.1
88.98618	0.1
91.05490	0.5
91.53423	0.1
93.07080	0.1
95.01321	0.3
97.02883	0.2
100.65585	0.1
109.02894	0.2
119.04961	1.8
121.02890	0.6
127.03925	0.2
129.01857	0.1
136.07581	0.3
137.06007	0.3
141.01833	0.7
145.02858	0.6
153.01842	4.6
161.60950	0.1
163.03908	0.4
171.02917	0.4
183.02904	0.2
187.04025	0.1
197.05994	0.1
198.68906	0.1
207.02499	0.1
207.13754	0.1
225.05460	0.3
229.05081	0.3
233.11629	0.1
243.06575	0.2
247.06081	0.2
259.10928	0.1
261.06076	0.2
269.12735	0.1
271.06024	100.0
272.06378	1.4
287.13974	0.3
295.06110	0.1
313.07153	0.1
344.18738	0.2
345.18845	0.1
358.20325	0.1
377.51138	0.1
433.11127	0.4
529.26935	0.1
530.79260	0.1
693.15778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.05514	37.4
55.05781	1.9
55.61816	1.2
57.03431	17.8
57.07080	2.7
59.04989	3.0
61.02928	10.1
65.03950	2.5
67.05507	100.0
69.03427	5.7
69.07073	21.4
69.85801	5.8
71.01350	3.0
71.05000	8.2
71.08630	1.8
72.53378	1.0
73.02925	6.3
75.57009	1.1
79.05495	37.7
79.23864	1.3
81.03419	17.6
81.07059	75.2
83.04989	10.4
83.08624	24.4
85.02908	20.5
85.06546	6.2
87.04462	5.3
88.19999	1.2
91.03973	5.6
91.05480	31.7
91.86710	1.3
93.07049	47.3
95.04982	9.1
95.08609	24.6
97.02895	6.1
97.06540	11.1
97.10167	17.9
98.21443	1.3
99.04453	1.7
99.08110	2.3
103.03969	2.5
105.07028	11.8
107.04958	4.9
107.08596	33.0
109.06517	4.0
109.10162	53.5
111.04420	2.1
111.08097	8.0
117.07041	8.5
119.08589	12.8
121.06482	3.3
121.10146	13.2
123.08032	2.2
123.11727	4.5
123.15981	1.6
125.09624	15.2
126.09130	1.2
127.03895	1.7
129.05472	6.4
129.06978	1.9
131.08575	9.8
133.06464	1.3
133.10147	13.3
135.08099	3.1
135.11691	14.5
137.09602	2.4
143.10663	3.4
145.10147	4.6
147.08011	2.1
147.11667	5.4
149.09616	2.0
149.10826	1.4
149.13255	14.7
151.11218	1.9
153.12729	2.7
154.68980	1.0
155.10677	4.7
157.10129	2.0
159.11700	8.2
163.11203	9.8
165.12790	3.6
173.11787	13.9
175.11208	2.2
177.12743	4.9
181.12199	2.9
189.11267	1.3
191.10672	2.1
193.12259	5.2
195.12193	1.8
195.13814	15.2
199.13309	6.9
209.11696	7.0
211.13329	4.0
213.14809	1.6
218.71103	1.1
227.12773	9.9
229.12079	2.8
229.14363	57.4
239.16304	6.1
267.15891	10.5
269.17484	62.3
283.15393	7.0
301.16418	21.3
313.16403	1.9
323.18747	1.7
357.24091	1.7
393.26382	3.3
398.20309	1.2
411.27612	5.9
423.27444	36.0
431.28067	2.0
449.28815	3.1
477.28256	4.1
495.29565	74.7
496.29916	1.4
513.30597	28.6
545.59344	1.3
692.41498	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46105	0.1
53.03934	0.1
55.05515	0.2
57.03428	0.5
61.02932	0.9
65.05569	0.1
67.05508	0.2
69.03426	0.8
69.07057	0.3
69.31415	1.0
71.04982	0.1
71.08617	0.2
73.02918	0.9
81.03408	0.2
85.02907	0.8
89.65130	0.1
91.03947	0.3
93.05782	0.1
93.07076	0.2
97.02908	0.7
98.20747	0.2
101.02396	0.3
105.07023	0.1
106.06531	0.2
107.07339	0.4
117.05730	0.3
118.06544	1.8
120.08113	0.4
127.03937	0.2
130.06534	0.9
131.07320	0.5
132.08095	1.4
133.08873	0.4
144.08098	0.5
145.08823	0.2
146.09636	1.7
147.10429	0.1
158.09691	0.3
160.11255	0.4
172.11214	0.1
174.12737	0.2
175.27319	0.1
176.14293	0.1
186.12823	0.2
187.13429	0.1
188.14357	1.4
197.07466	0.1
200.14357	0.3
202.15909	1.8
203.16762	0.2
209.76134	0.1
214.16000	0.2
216.17470	2.9
228.17426	0.8
230.19055	0.6
244.17062	0.2
244.20528	0.3
248.16580	0.1
255.94142	0.1
256.16907	0.8
258.18640	0.3
258.22253	0.4
270.18445	0.2
272.23877	0.3
274.18152	0.2
284.20078	0.1
286.25363	0.3
300.26984	0.1
312.26993	0.3
316.22733	0.1
324.26855	1.8
340.26358	3.8
340.30362	0.2
344.25763	0.5
355.58194	0.1
356.25861	1.0
358.27518	0.7
368.25848	11.7
369.26221	0.2
374.27063	0.2
386.26852	6.2
396.29242	0.2
404.28030	1.0
414.30124	0.2
424.28455	0.1
426.30243	0.2
428.35239	0.2
442.29532	1.6
444.34833	2.4
456.34912	0.5
460.30600	2.5
474.35800	8.7
475.36044	0.2
503.65717	0.1
514.39099	0.8
530.38416	6.8
531.38495	0.2
658.98566	0.1
692.43658	100.0
693.43958	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	692.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01862	7.2
55.05514	36.0
57.03429	18.4
57.07075	2.4
59.04987	4.4
61.02937	9.8
65.03938	4.4
67.05507	100.0
67.98284	1.7
69.03443	4.5
69.07066	19.8
70.97324	3.1
71.01366	3.0
71.04987	7.8
73.02908	5.4
79.05495	41.1
81.03426	16.1
81.07060	73.2
83.04984	10.6
83.08623	22.5
85.02904	18.2
85.06541	5.0
87.04465	5.6
89.45186	2.0
91.03955	5.5
91.05478	26.3
93.07047	43.1
94.07307	2.0
95.04987	9.6
95.08611	24.1
97.02892	8.3
97.06553	11.3
97.10177	16.4
99.04471	2.8
99.08090	2.3
105.07027	13.0
107.04948	5.2
107.08594	30.2
109.06533	3.6
109.10156	57.0
111.08073	8.0
117.07054	10.0
119.08572	13.2
121.06509	4.8
121.10136	14.0
123.11689	3.8
125.09631	18.8
127.03984	2.3
129.05476	5.9
131.08543	10.5
133.10130	15.0
135.08075	2.5
135.11697	8.6
137.09596	3.2
145.10109	3.3
147.11688	5.0
149.13243	13.1
151.11214	3.6
153.12679	2.5
155.10654	5.7
159.11707	6.3
163.11201	9.9
165.12770	5.5
173.09608	2.5
173.11734	15.3
175.11115	2.2
177.12787	5.6
181.12228	2.5
189.11104	2.4
191.10703	2.9
193.12263	3.7
195.13831	14.2
199.13329	9.3
209.11720	7.9
211.13353	4.6
213.14851	3.2
223.78543	1.8
227.12877	8.9
229.12111	2.8
229.14372	57.7
239.16371	2.2
252.87799	2.0
257.13840	2.1
267.15948	10.2
269.17477	70.9
283.15408	7.4
301.16452	22.1
306.80115	2.1
313.16656	3.3
323.18658	2.8
357.24371	3.3
411.27408	5.2
412.41373	1.8
422.26846	2.8
423.27432	41.4
431.27383	2.1
449.29181	2.9
477.28494	4.2
495.29526	78.6
513.30591	32.9
520.45782	2.3
693.26160	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	691.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
54.92774	0.3
55.05501	1.0
57.03429	1.3
57.07064	0.3
59.05005	0.4
61.02931	5.0
67.05508	8.6
69.03434	2.8
69.07065	0.9
71.01338	0.3
71.04990	0.7
73.02920	4.0
73.13250	0.4
79.05490	1.7
81.03425	1.4
81.07061	3.2
83.08616	0.8
85.02898	4.3
85.06541	0.4
91.03950	3.3
91.05486	1.0
93.07063	2.3
95.08593	2.0
97.02896	3.9
99.04485	1.0
101.02388	2.0
105.07037	0.5
107.08629	1.4
109.02879	0.6
109.10163	7.1
111.09270	0.4
115.03935	0.6
119.08581	1.0
121.10162	0.9
127.03919	1.6
131.08591	0.6
133.10199	0.4
135.11728	0.6
145.04967	0.3
145.10162	0.4
155.10718	0.8
173.11812	1.7
173.13132	0.4
185.04276	0.7
195.09984	0.8
229.08983	0.4
229.14406	1.3
243.08432	1.9
251.12621	0.3
335.26007	0.5
361.88986	0.4
413.17822	9.7
459.67712	0.3
519.29242	3.6
550.35944	0.3
691.40283	100.0
692.40509	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70384	0.7
53.03929	2.0
55.01851	3.0
55.05510	7.4
57.03198	0.7
57.03433	8.5
59.04998	0.8
61.02934	1.4
65.03918	1.4
67.05510	24.1
69.03390	1.8
69.07072	13.2
69.99963	1.4
70.00350	1.6
70.06573	0.7
71.04999	3.8
73.02895	1.6
79.05067	0.9
79.05494	14.9
81.03410	4.7
81.07059	71.2
83.04977	6.7
83.08227	0.9
83.08623	7.9
85.02924	4.7
85.06551	4.2
87.04472	0.9
91.05482	21.3
93.07047	13.3
94.60908	0.7
95.04943	2.7
95.08609	17.3
97.02856	2.1
97.06546	7.7
97.10146	1.5
99.08113	4.8
101.06009	1.2
105.07037	30.8
107.04932	1.7
107.08599	13.0
109.02851	1.3
109.06528	5.1
109.10111	3.2
111.08073	1.5
117.06996	2.9
118.33837	0.8
119.08585	22.6
121.09317	1.4
121.10143	21.9
123.08080	5.1
123.11717	27.7
125.09617	1.3
127.03927	1.2
127.07538	3.2
129.06982	1.7
131.08540	1.6
133.10132	3.8
135.11646	2.3
136.33719	0.8
137.09604	1.0
137.13222	2.3
141.09062	0.9
145.10095	2.6
147.11691	76.1
149.13251	1.4
153.12804	0.9
157.10120	2.1
163.11176	2.2
165.12756	27.7
173.30716	0.7
175.11179	3.0
183.13788	2.6
191.10693	1.0
193.12297	2.2
195.13805	1.1
209.11751	1.4
211.13257	0.8
229.14336	6.2
239.48297	0.7
251.13890	0.9
265.14255	1.0
267.15924	97.2
268.16248	0.9
269.17496	2.1
282.09015	0.8
283.15335	1.3
285.16971	100.0
286.17148	0.9
301.16412	2.2
389.56598	0.7
459.27179	4.1
477.23083	0.9
477.28522	28.5
495.29550	96.4
496.29907	1.6
513.30219	0.9
602.87195	0.9
603.31451	0.9
621.32861	3.0
639.33752	3.4
648.39032	0.9
692.25970	1.5
692.42877	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	691.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.05502	1.0
57.03437	1.6
61.02926	4.9
62.52922	0.3
65.03931	0.3
67.05505	6.9
67.37454	0.2
67.66671	0.3
69.03434	3.2
69.07072	0.8
71.01347	0.5
71.04993	0.5
73.02916	3.2
79.05500	2.2
80.63942	0.3
81.03418	1.1
81.07053	3.7
81.93237	0.3
83.08611	0.6
85.02899	4.8
87.04491	0.5
91.03963	3.3
91.05471	1.5
93.07049	2.7
95.04970	0.3
95.08613	2.8
96.14952	0.2
97.02892	3.9
97.06604	0.3
99.04469	0.9
101.02384	1.7
105.07028	0.9
107.08594	1.6
109.02877	0.9
109.10159	4.4
115.03866	0.3
116.54060	0.3
117.07024	0.3
119.08598	0.8
121.10126	1.3
125.09722	0.3
127.03931	1.4
131.08572	0.6
135.11710	0.9
145.10139	0.5
173.11763	0.8
185.04234	0.4
195.09973	1.2
203.05336	0.3
229.14479	0.4
229.61813	0.4
243.08392	1.8
335.25891	0.7
398.04379	0.3
413.17853	4.5
519.29352	7.6
691.40271	100.0
692.40771	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	689.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	3.5
56.76128	2.0
57.03432	2.9
57.07077	100.0
58.04225	11.8
58.81778	1.6
59.05002	34.1
67.05494	5.2
69.07081	3.6
69.93710	8.8
70.07844	1.7
71.04966	2.0
71.08634	71.9
72.05772	16.1
73.02921	9.9
73.06556	26.1
81.07047	6.3
82.07854	3.4
83.08601	3.8
85.10186	61.0
86.07317	1.8
87.04474	32.3
88.05241	5.3
88.07630	2.1
89.06033	32.2
90.01917	53.4
95.08591	2.3
97.10165	4.9
99.11737	7.8
101.06044	3.0
103.07578	22.3
109.10117	1.9
113.13334	2.3
116.08322	5.5
117.09143	22.7
131.07027	4.8
133.08600	18.3
141.16312	1.6
142.17641	1.6
147.10152	5.6
152.15627	3.5
155.17921	4.7
161.11754	6.4
165.11194	2.2
177.11240	10.1
178.07072	8.1
181.67026	1.6
183.17456	6.2
185.15359	1.8
194.13924	2.0
199.20538	2.5
208.15398	4.4
209.13829	2.0
212.21397	3.0
213.21979	3.8
221.13779	2.9
222.09723	11.8
222.17012	7.0
223.15405	3.6
238.16489	4.0
252.18056	6.7
257.24799	3.1
266.12125	4.2
266.19547	8.0
268.17593	2.3
271.16220	3.3
282.19110	3.2
285.17868	4.1
295.59286	2.3
296.20770	9.0
310.22253	10.4
312.20013	4.3
326.21631	3.1
340.23294	4.2
354.24994	8.9
359.56580	2.0
362.32660	5.5
370.24152	3.5
400.25388	2.0
406.35220	7.1
450.38034	13.4
460.23932	4.1
466.37344	3.1
494.40155	3.2
510.40436	2.5
538.43127	23.2
554.42566	5.1
582.45721	3.1
598.44714	5.3
689.48639	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	691.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
59.04995	0.6
67.05508	1.6
69.03416	1.2
69.07072	1.4
70.06623	0.6
71.04977	0.5
71.56903	0.9
79.05510	1.6
81.03418	0.8
81.07056	2.2
83.08609	0.6
83.28931	0.6
84.03249	0.6
84.59526	0.5
85.02905	1.6
91.05487	2.4
93.07037	1.6
95.08609	1.3
95.71674	0.6
97.02896	0.8
97.06570	0.8
105.07055	2.1
105.18229	0.6
107.04972	0.7
107.08631	1.0
109.02875	0.6
109.10168	0.7
118.84800	0.6
119.08622	1.7
121.10116	1.0
127.03967	0.9
131.08604	1.1
133.08696	0.8
133.10155	1.3
147.11671	0.7
159.11751	0.7
259.64590	0.6
275.20151	1.0
277.84888	0.6
349.23618	6.9
388.84772	0.7
415.13538	0.6
427.17953	0.8
428.14996	0.9
429.15833	1.3
430.16495	1.9
431.17169	0.9
442.16843	0.8
443.17313	2.2
455.13205	0.7
456.13934	0.9
457.18964	3.7
458.19504	0.8
467.16998	0.7
470.11862	1.0
471.13483	0.7
483.12671	1.3
484.13632	6.4
485.14429	1.9
495.16708	0.8
497.15005	2.5
498.15405	4.0
499.15900	3.1
501.17807	0.7
510.19568	0.8
511.16367	2.4
512.16986	4.7
513.17700	15.0
514.18561	2.9
515.17816	0.6
523.15948	5.5
525.17822	3.0
526.18353	1.6
527.19434	3.2
544.19672	1.3
545.23773	0.9
555.19055	2.2
571.19672	0.6
573.22949	1.0
599.21429	1.2
600.21619	2.7
601.23187	5.4
614.23853	1.6
617.22620	0.9
632.24585	0.8
641.22241	0.7
647.36768	0.7
659.23450	1.2
660.24139	1.1
676.23993	0.8
691.26129	100.0
692.26343	5.4
692.43896	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.8
55.01863	4.7
55.05511	27.7
57.03444	12.2
57.07080	11.1
59.04950	2.9
60.93108	2.1
61.02930	12.2
65.03949	2.9
67.05182	4.6
67.05508	59.6
68.05833	2.1
69.03430	21.5
69.06721	2.4
69.07065	26.6
69.63454	1.9
69.91135	9.9
70.14237	2.1
71.04977	9.4
71.05335	2.3
71.08619	7.3
73.02908	8.1
77.34453	2.1
79.05063	3.9
79.05492	48.2
81.02981	3.5
81.03421	49.1
81.07061	69.4
83.04991	14.8
83.08617	11.0
85.02898	17.7
85.06535	5.3
85.10163	3.9
86.10583	2.3
87.04449	4.7
89.06010	6.7
91.03970	5.5
91.05479	51.6
93.07044	51.1
95.04945	8.6
95.08069	2.7
95.08616	40.2
97.02884	17.8
97.06523	9.5
97.10175	2.9
98.20797	2.7
99.04449	8.9
102.78168	2.6
105.07030	43.2
107.04965	3.7
107.08589	27.8
109.02869	7.3
109.06501	6.3
109.10155	13.3
111.04424	5.3
111.08088	3.2
117.07024	22.8
119.08584	34.5
121.06532	3.0
121.10137	20.1
123.08048	4.1
123.11697	8.8
124.10596	2.5
125.09592	3.3
127.03901	10.1
128.06207	4.6
129.05463	6.6
129.07001	19.0
131.08569	33.9
133.06456	3.6
133.08553	4.7
133.10135	22.9
135.08034	4.0
135.11700	10.4
137.05954	3.0
137.09570	2.6
139.11131	2.6
141.07010	7.6
142.07739	2.3
143.08569	22.4
145.10112	23.7
147.08070	4.8
147.11681	18.3
149.09555	5.7
149.13223	10.0
151.03870	3.0
155.08548	16.5
157.10112	21.1
159.07990	2.5
159.11708	20.2
161.09555	3.4
161.13261	9.4
165.12675	4.0
167.08582	7.8
168.09354	2.6
169.10124	18.3
171.11668	18.3
173.04471	12.1
173.09619	2.8
173.13246	11.0
175.11176	4.9
175.14882	3.4
177.11279	3.1
177.12767	4.6
179.08534	2.3
181.10136	10.8
183.07916	2.3
183.11659	18.7
185.09604	2.8
185.13229	14.5
187.14854	3.7
192.09245	2.2
193.10295	3.3
193.12263	3.0
195.11650	6.6
195.13747	4.5
197.13281	9.7
199.11165	4.3
199.14787	5.7
207.11739	3.5
209.13263	8.9
211.14803	6.5
213.16418	5.7
219.11752	2.5
221.13362	5.0
222.26057	2.7
223.14851	6.1
225.12840	2.7
225.16348	2.5
237.16383	4.0
259.20615	6.7
261.22247	3.5
267.15869	7.5
267.21042	2.5
269.17450	9.0
271.20712	2.4
283.20572	3.1
285.16901	3.3
285.22244	2.5
313.21390	3.5
333.24146	6.9
335.25897	4.4
367.22595	3.6
369.23914	2.4
413.21768	4.7
417.31332	6.2
435.32547	9.8
453.33612	4.7
509.36523	10.3
517.38586	3.2
525.35339	4.9
527.37384	100.0
528.37030	4.6
529.38788	3.9
539.36682	2.8
545.38190	10.2
569.38190	4.7
635.38959	10.0
653.40082	8.6
654.79840	2.6
671.41431	15.8
689.42413	42.6
690.42639	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	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
55.01861	2.8
55.05516	22.5
57.03436	11.1
57.07073	9.9
61.02927	10.0
65.03936	3.7
67.05505	56.6
69.03430	18.3
69.07068	18.8
71.01375	1.8
71.04978	9.0
71.08618	5.7
71.54984	2.0
73.02924	9.2
79.05066	3.3
79.05498	45.1
81.03423	44.6
81.07057	64.7
83.04985	13.7
83.08620	13.5
85.02903	13.5
85.06550	4.9
85.10184	6.4
87.04461	3.9
89.06033	8.3
91.03940	4.0
91.05484	49.7
93.07048	53.1
95.04980	10.1
95.08612	38.1
97.02908	22.6
97.06520	5.9
97.10168	5.6
99.04439	6.0
103.03911	2.1
105.07042	37.7
107.04937	4.2
107.08595	26.5
109.02881	7.6
109.06514	5.0
109.10163	12.3
111.04480	3.5
111.08100	3.3
115.05450	4.3
117.07014	19.6
119.08583	27.1
121.06523	3.3
121.10149	18.8
123.08040	3.8
123.11705	6.7
125.09608	5.3
127.03944	8.3
128.06227	5.0
129.05479	5.7
129.07001	15.9
131.08571	31.1
133.06477	2.3
133.08614	4.8
133.10143	22.8
135.08072	2.4
135.11702	8.3
137.09654	2.3
139.11198	2.0
141.06985	6.4
142.07799	5.2
143.08524	17.9
145.10120	23.9
147.11668	17.3
149.09669	4.5
149.13203	8.9
154.07840	2.2
155.08586	9.2
156.09282	2.5
157.10118	20.1
159.08049	2.8
159.11705	20.7
161.09596	2.1
161.13251	8.7
163.11183	2.8
165.06990	3.4
165.12776	2.7
167.08592	6.9
169.06438	3.2
169.10193	12.7
171.11693	20.2
173.04483	11.9
173.09625	2.8
173.13225	9.7
175.11237	2.6
175.14850	3.3
177.12733	3.7
179.08571	3.0
181.10124	9.6
183.11702	17.8
185.13306	9.7
187.14838	3.3
189.16502	1.9
195.11714	6.8
195.13651	3.5
197.13275	10.5
199.09435	2.1
199.11221	3.2
199.14928	5.5
201.12782	2.6
201.16295	2.5
207.11659	2.9
209.13306	7.2
211.11343	2.2
211.14795	6.4
213.16501	2.6
219.11830	2.3
223.14828	4.4
225.12698	3.2
235.14877	2.3
237.16496	2.2
239.18100	2.6
241.19591	3.3
259.20572	8.2
261.22095	2.7
267.15933	6.7
269.17636	6.3
271.20615	2.2
275.20023	3.1
283.20612	2.4
285.17041	2.9
301.21661	4.0
323.23544	2.7
327.23236	2.3
331.22742	1.9
333.24289	6.7
335.25916	2.5
341.24829	2.4
367.22693	2.8
375.25092	2.9
385.23636	3.6
413.21774	4.1
424.72818	2.2
435.32788	11.0
437.34103	2.3
453.33545	4.9
471.34756	3.7
503.36417	2.1
509.35995	6.3
517.38977	3.3
525.35718	4.3
527.37360	100.0
529.38489	4.9
539.37024	2.8
545.38153	7.3
625.40283	2.5
635.39032	8.0
653.40479	11.9
671.41382	16.1
689.42505	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	688.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.8
57.03439	1.2
57.07081	100.0
58.07426	1.0
59.05008	30.4
67.05504	0.9
69.07075	2.0
70.78473	0.8
70.78821	1.6
71.08637	96.5
72.08945	0.8
73.02934	0.9
73.06556	1.9
79.05510	1.1
81.07048	1.1
83.08618	3.7
85.10188	89.8
87.04470	11.4
89.06040	75.3
97.10176	1.0
99.11743	9.7
99.31992	0.7
101.09666	1.7
103.07588	1.5
107.07027	0.7
109.10172	0.7
117.09129	7.1
130.08615	1.4
131.07050	3.7
133.08617	64.8
141.16397	12.5
141.97392	0.7
161.11783	0.7
175.09654	4.7
177.11238	30.1
191.12782	0.9
199.20586	27.7
213.36963	0.8
219.12215	2.2
221.13843	6.6
239.14830	1.1
240.23125	2.1
257.24765	11.5
265.16309	2.0
283.17435	1.4
303.07504	0.7
309.18863	2.3
327.20132	1.9
371.22931	1.2
374.44366	0.9
397.24036	2.6
415.20050	1.2
415.25388	17.9
455.28229	3.1
459.27618	1.0
473.29254	2.5
478.70438	0.8
513.32001	1.2
627.52570	0.8
671.49414	1.5
688.52045	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	688.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68380	0.7
55.05502	1.9
57.07078	85.8
59.05004	15.7
67.05492	1.2
69.07033	1.5
69.20836	1.8
69.21231	7.9
71.08634	56.6
71.83092	0.8
73.06562	4.3
81.07045	0.8
83.08611	1.5
85.09659	1.5
85.10186	45.3
87.04474	13.3
89.06036	100.0
90.79429	0.9
91.07600	0.9
97.10151	1.6
99.11742	6.9
103.07600	6.6
103.92212	0.8
111.11671	0.8
113.13274	3.0
117.09131	3.5
121.08688	0.9
130.08621	2.1
131.07085	6.6
133.08611	81.1
152.60924	0.8
155.17906	3.9
161.11699	1.4
175.09654	5.5
177.11227	36.0
178.39909	0.8
213.22154	6.1
219.12309	2.0
221.13834	7.0
223.15331	1.8
229.14383	1.0
241.50270	0.9
257.24750	5.4
265.16550	2.1
283.17462	2.5
309.19003	3.0
327.20096	2.0
353.21710	3.2
371.22760	2.2
415.25323	2.4
441.26831	1.7
459.28055	14.5
499.30920	2.5
559.88776	0.9
671.49146	1.7
688.52264	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	688.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.9
55.01861	2.2
55.05515	44.4
57.03429	2.9
57.06826	0.8
57.07080	11.7
59.05003	6.3
61.02916	1.6
65.53162	0.5
67.05501	3.1
68.99767	0.7
69.03430	9.3
69.07073	42.1
70.78575	0.6
71.04984	2.2
71.08636	11.3
71.56492	1.0
73.02898	1.9
79.05499	1.2
81.03427	11.9
81.07069	5.2
83.04992	2.0
83.08626	70.5
85.02910	23.5
85.03431	0.9
85.06555	1.0
85.10178	1.0
86.06113	0.8
87.00835	10.0
87.04464	1.6
89.06038	38.6
91.03992	0.8
91.05476	1.8
93.07051	2.3
95.04946	1.9
95.08593	3.4
97.02901	8.1
97.06554	1.1
97.10178	76.1
99.04467	4.7
103.03947	0.8
103.07565	3.9
105.01887	6.2
105.07038	1.5
107.04967	0.7
107.07056	1.7
107.08592	1.1
109.02888	12.0
109.10171	1.5
111.04447	2.4
111.11723	14.5
116.10746	2.0
117.01871	0.6
119.08624	0.9
120.08115	1.0
121.06512	1.2
121.10133	0.8
125.05975	0.7
127.03928	13.7
129.01849	1.4
130.08597	0.8
131.04997	0.7
131.07054	1.8
133.08618	16.5
133.09702	0.8
133.10100	1.0
137.05972	1.1
137.13275	1.0
145.04958	3.8
145.10046	0.7
149.06020	1.5
151.09668	2.8
155.14354	1.7
157.15887	7.4
159.02881	3.6
160.82127	0.7
163.90335	0.7
167.06992	0.8
171.17462	24.3
177.11234	29.8
185.08162	0.7
189.03949	0.8
189.18513	6.1
191.12773	3.1
195.12292	23.9
209.13878	2.5
213.04008	2.4
214.17941	0.9
215.20093	2.4
229.21666	6.6
231.05026	2.4
235.15410	11.4
249.16960	2.1
253.16551	3.8
256.41205	0.6
267.17996	1.3
273.24341	6.0
279.19611	0.7
289.09158	0.9
342.22855	2.1
405.31906	1.7
423.33188	100.0
424.33728	1.7
590.28064	1.9
688.41534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88408	0.4
53.03948	2.2
55.01875	2.2
55.05514	37.5
57.03435	1.9
57.07081	16.4
59.05007	10.2
61.02931	1.8
67.05509	2.2
67.82446	0.3
68.99787	1.4
69.03433	10.9
69.07071	31.0
70.49870	0.3
71.04996	1.8
71.08643	3.4
73.02914	2.2
75.07256	0.3
79.05507	0.8
81.03421	13.4
81.07063	6.6
83.05000	2.2
83.08623	100.0
84.08989	0.3
85.02910	21.0
85.06567	0.8
86.06059	0.4
86.09720	0.4
87.00831	8.4
87.04475	1.0
89.06035	16.2
91.03964	0.7
91.05463	1.1
93.07041	1.0
95.04955	2.4
95.08607	3.5
97.02897	7.8
97.06529	0.9
97.10174	33.8
98.20766	0.7
98.25307	0.4
98.97607	0.5
99.04461	4.5
101.09653	0.6
102.90578	0.3
103.03935	0.8
103.07577	3.5
105.01869	4.5
105.07027	0.6
107.07085	0.8
109.02882	12.8
109.06486	0.4
109.10202	0.8
111.04460	3.4
111.11733	1.3
113.06040	0.8
116.10731	1.3
117.01855	0.8
117.09137	2.8
121.06528	1.1
121.10195	0.3
125.05995	1.0
125.51157	0.3
127.03923	15.1
129.01880	0.8
131.07074	1.0
133.08609	12.5
137.06007	0.7
137.13257	1.2
139.14832	1.4
143.14346	0.6
145.04971	3.8
145.10139	0.8
147.02882	0.7
147.10168	0.4
149.06035	0.9
149.09554	0.3
151.07712	0.4
151.09688	4.3
155.14311	3.9
157.15892	22.2
159.02905	3.3
167.07037	1.3
175.13412	0.4
175.16937	5.6
177.11246	0.9
185.08131	0.8
189.03992	0.7
191.12775	10.6
195.12267	0.9
198.18459	0.4
201.18454	0.6
209.13841	7.8
213.03934	3.4
215.20078	23.0
231.03093	0.4
231.05038	2.6
233.21164	1.0
235.15240	0.4
249.05988	0.5
249.16980	6.8
253.16418	0.5
265.17996	0.9
267.18188	0.8
273.24243	16.8
283.18994	0.6
289.09268	1.5
298.23453	0.3
342.22842	1.2
365.29050	0.8
369.19104	0.7
374.90289	0.4
405.32288	1.7
423.33194	56.0
424.33560	0.9
427.23785	0.5
590.27753	0.6
688.40289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84707	1.6
55.05515	2.3
57.03431	3.0
57.07080	100.0
59.05006	57.2
59.27098	1.4
67.05502	2.4
67.53480	1.3
69.07086	1.5
71.08636	99.2
75.80737	1.4
81.07057	3.0
83.08610	4.8
85.10187	97.9
87.04460	4.1
89.06034	23.8
95.08624	1.8
96.91223	1.1
97.10142	2.5
99.11754	10.5
101.09670	5.2
103.07601	3.7
107.08551	1.6
117.09142	21.3
133.08607	20.3
141.16394	12.9
159.13817	2.3
175.13371	1.7
177.11215	5.8
199.20607	27.7
213.22182	2.1
216.67166	1.4
221.13710	1.7
239.14919	6.1
240.07370	1.4
240.23251	3.5
257.24796	42.7
279.94409	1.5
296.62546	1.5
297.18994	2.5
315.29041	3.5
355.23364	3.1
387.13467	1.6
473.36530	1.5
686.45355	9.4
687.48022	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	686.541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.7
55.05505	2.1
57.03458	1.3
57.07077	100.0
59.05004	35.9
59.05233	0.7
67.05513	0.6
69.07079	1.9
69.88319	3.1
71.08633	66.9
81.07056	0.7
83.08641	1.8
85.10185	57.8
87.04473	2.9
89.05480	1.3
89.06037	25.9
95.08621	0.6
97.10164	4.5
98.20767	0.6
99.08104	0.8
99.11736	13.5
101.06059	0.6
101.09655	3.6
103.07612	1.0
106.33544	0.6
107.07127	0.7
113.13297	4.7
117.09127	15.1
125.13288	0.6
130.08688	0.7
133.08606	16.1
134.65053	0.5
147.10199	1.2
155.17943	10.5
155.19038	0.8
162.70613	0.5
166.37943	0.6
175.09761	1.3
175.13460	1.0
176.16992	0.7
177.11230	7.6
191.12778	0.6
213.22141	21.2
221.13885	1.0
254.24873	1.9
265.16687	0.7
271.26324	25.8
283.17514	7.3
323.20789	0.8
329.30743	1.7
341.21817	4.5
381.24838	1.3
399.25742	1.2
464.56027	0.7
484.64136	0.8
599.32544	0.8
620.45868	0.6
646.36761	0.6
669.51593	0.6
686.45746	11.0
686.57025	0.7
687.47778	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.4
61.02898	1.2
67.05493	3.6
69.07063	1.8
74.43268	1.1
79.05490	3.3
81.03411	1.9
81.07056	3.8
91.05466	2.9
93.07027	2.3
95.04949	1.4
97.02795	1.2
104.10739	1.0
105.07040	2.2
107.08560	1.5
117.89124	1.0
119.08604	1.4
131.08569	2.0
133.10114	1.5
208.09837	1.8
209.10764	5.3
213.06573	1.4
213.10226	1.2
222.11414	1.4
223.08788	1.3
223.12358	4.7
224.13054	4.4
225.13853	2.1
235.12230	1.2
237.10254	1.9
237.13881	11.0
238.14610	7.1
239.15402	2.5
250.11383	1.2
253.13341	2.0
265.13324	8.9
265.32480	1.2
266.14090	3.0
267.15015	3.2
273.12259	1.7
275.19861	1.5
297.12341	2.5
300.14877	1.1
302.16806	1.5
309.15765	1.5
315.13345	3.0
325.15427	7.0
327.17087	2.1
343.12878	1.3
414.18137	2.0
439.01978	1.4
450.20190	1.2
490.22705	1.3
491.23920	2.0
497.25735	1.7
507.23712	3.8
524.24451	2.1
525.25366	5.6
549.24585	3.2
553.24377	1.7
567.25555	3.1
568.26428	1.5
595.24603	2.6
609.27332	9.5
627.28204	24.6
637.26685	5.7
645.29358	1.4
655.27655	100.0
656.27625	4.8
687.29803	6.2
687.40369	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	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.8
55.05514	10.9
57.03439	14.5
57.03704	1.1
57.07076	2.4
58.74015	0.6
59.04998	3.5
59.66697	0.5
61.02923	5.3
65.03952	2.4
67.05507	100.0
68.05849	1.1
69.03434	2.0
69.07069	8.7
69.26163	5.3
71.04984	3.8
71.08638	0.7
73.02927	1.1
78.96128	0.5
79.05496	19.9
81.07059	37.2
83.05013	0.7
83.08623	8.8
84.29591	0.6
85.02917	4.9
85.06548	3.3
91.03975	1.6
91.05487	14.7
93.07050	28.9
95.04991	1.4
95.08611	26.8
97.02910	1.9
97.06540	1.2
97.10178	2.4
99.08119	1.0
105.07031	7.5
107.08596	15.9
109.06509	1.0
109.10160	74.9
110.10484	1.2
111.08080	3.1
117.07045	3.0
119.06008	0.6
119.08584	11.4
121.10149	11.2
123.08064	0.8
123.11707	4.5
125.09628	1.5
127.11217	0.8
131.08580	5.4
133.10138	4.1
135.11688	7.5
137.09596	3.4
137.13274	1.4
145.10149	4.4
147.11714	4.0
149.13268	4.9
155.10686	9.4
159.11684	3.2
161.13275	2.4
163.14841	3.1
173.11754	15.8
173.13295	3.1
175.14874	1.1
177.16304	0.7
187.14883	1.6
189.11310	0.6
227.12772	3.9
229.14359	79.0
230.14714	1.0
233.22961	0.7
243.21075	4.1
246.09801	0.6
261.22156	16.4
288.60898	0.6
317.24847	2.6
335.25806	68.7
336.26279	1.9
356.52850	0.7
397.31107	1.2
415.32144	1.1
471.34537	1.9
489.35754	56.4
490.36060	1.8
507.36591	2.8
526.66852	0.8
531.52533	0.7
547.08282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07744	0.5
55.05515	1.6
57.03442	0.7
57.07078	2.6
59.05012	1.0
67.05520	2.9
69.07074	1.3
69.19658	2.3
69.20087	3.0
71.08631	3.4
79.05499	2.6
81.07074	3.2
83.08652	0.9
85.10200	1.0
87.72072	0.5
89.06032	0.7
91.05502	1.3
91.32789	0.5
93.07047	2.7
95.04998	1.0
95.08641	1.7
98.21525	1.2
99.08109	0.9
105.07045	1.0
106.83070	0.6
107.08620	1.3
109.10207	1.0
117.07121	0.6
117.09194	0.5
119.08652	0.8
121.10241	0.8
122.70086	0.5
131.08626	0.6
133.10188	0.7
135.11739	0.9
150.56343	0.5
151.11194	0.7
156.44284	0.5
157.59431	0.6
179.14360	0.9
259.25647	0.6
317.20886	7.5
317.24472	0.8
335.22034	3.8
373.23587	3.1
391.24612	3.1
458.89197	0.7
573.48718	1.8
625.27307	1.2
685.46655	100.0
686.46729	3.2
708.15588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48182	0.5
53.03949	1.1
55.05512	10.7
57.03439	10.2
57.07074	2.0
58.83163	0.6
58.95027	0.5
59.05002	3.9
61.02925	4.1
65.03939	2.1
67.05505	88.0
69.03438	2.0
69.07069	6.7
70.03356	2.2
71.05005	2.7
71.08609	0.6
73.02945	1.4
78.04701	0.5
79.05493	17.3
81.07060	32.6
83.04990	0.7
83.08627	6.4
85.02911	4.1
85.06551	2.2
91.03973	1.5
91.05482	13.4
91.11906	0.6
93.07049	19.7
95.04978	1.5
95.08607	23.1
96.90872	0.6
97.02895	2.1
97.06549	1.3
97.10181	1.9
105.07034	5.3
107.08593	12.0
109.06535	1.0
109.10158	69.4
111.08080	3.3
117.07040	2.6
119.08579	8.7
121.10148	7.4
121.97839	0.5
123.11710	3.3
125.09632	1.3
131.08585	4.0
133.10136	3.4
135.11696	5.5
137.09630	2.6
137.13307	1.1
145.10129	2.8
147.11690	3.1
149.13216	3.3
155.10675	9.3
159.11757	2.8
161.13234	2.0
163.14824	2.1
173.11755	15.1
173.13232	2.1
175.14857	0.7
177.16357	0.8
187.14801	1.4
189.11230	1.0
215.18042	0.8
218.92291	0.5
227.12755	5.1
229.14354	100.0
230.14667	1.1
243.21068	4.6
261.22122	14.9
271.49307	0.7
317.24811	2.6
335.25803	67.8
336.26086	1.7
379.29919	1.1
397.30902	1.6
398.03546	0.7
415.31830	1.7
471.34366	1.4
489.35764	42.5
490.36041	1.5
507.36642	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	685.465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55232	0.4
55.05526	0.7
57.07072	1.6
59.05003	0.7
62.17484	0.4
67.05501	2.8
67.62700	0.4
69.07057	1.3
69.35118	2.2
69.35532	1.0
71.08629	1.3
74.40816	0.3
79.05500	2.3
81.07054	3.4
83.04971	0.7
83.08657	0.5
85.10198	0.9
91.05495	1.6
93.07061	2.0
95.08606	1.6
97.06550	0.4
97.10204	0.5
98.20755	0.6
104.68571	0.4
105.07013	0.6
107.08604	1.6
109.10156	0.7
115.84143	0.5
119.08621	0.6
131.08595	0.6
133.08606	0.5
135.11729	0.9
136.06203	0.8
145.10158	0.4
147.11684	0.5
303.50537	0.4
333.20602	2.5
335.21899	2.8
375.25183	0.5
389.23135	1.1
391.24731	1.1
487.45804	0.5
609.73199	0.4
685.46472	100.0
686.47003	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	684.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07278	0.8
53.03944	3.1
53.67615	1.1
55.01865	3.4
55.05509	9.4
56.05842	1.9
56.11902	0.9
57.03437	2.5
57.07091	1.1
57.31921	0.9
61.02927	1.1
68.99824	1.1
69.03429	11.6
69.07072	1.3
69.55854	5.6
70.06594	4.9
71.04980	1.7
73.02927	3.3
74.15134	0.9
79.05494	4.7
81.03420	21.7
81.07068	2.0
82.06567	1.4
83.04951	1.5
83.08621	6.4
84.08956	3.2
85.02908	27.9
86.09715	1.5
87.00835	10.4
91.05487	3.6
93.07080	1.8
95.04979	2.8
97.02905	13.2
98.09711	1.3
98.21526	1.8
99.04476	5.6
100.07655	1.9
100.11266	28.8
101.07983	1.3
101.11585	15.8
102.11942	2.5
103.05494	2.2
105.01869	8.2
105.07037	2.4
107.04955	8.7
107.08620	1.5
108.04461	2.1
109.02888	12.2
110.06060	1.4
111.04478	3.2
112.04738	1.2
112.07570	1.6
115.05437	5.9
117.01868	1.4
117.07019	14.0
119.04995	1.3
119.08661	1.4
121.06534	1.5
123.04436	3.9
124.05247	2.7
125.05965	0.9
126.09143	1.5
127.03922	20.8
127.08685	1.2
128.04370	1.0
128.06242	1.2
128.07123	1.4
129.01866	1.1
129.07132	1.6
131.04968	1.1
131.08577	3.8
133.06516	2.1
137.06006	3.8
139.08667	1.4
140.07048	1.0
141.07025	1.6
144.05713	1.3
145.02826	1.4
145.04977	8.4
145.06517	31.5
151.03935	1.0
152.04750	0.9
155.06078	5.3
155.07181	1.3
155.08464	1.0
156.05685	4.7
157.06467	1.8
159.02911	6.1
159.08067	6.5
161.06055	3.1
166.08791	0.9
167.07053	49.1
173.05992	60.5
175.07588	2.0
177.03972	0.9
177.05496	2.2
181.08711	1.3
182.15417	6.2
183.06596	1.1
183.15791	7.6
184.05281	2.4
184.16119	2.7
185.16368	1.4
187.07530	6.4
190.06261	34.8
191.06999	2.2
193.08723	1.2
202.06265	3.0
203.07088	6.9
205.08607	100.0
207.06564	2.1
209.16501	6.3
210.14951	6.5
210.16869	6.7
211.15273	9.8
211.17200	3.3
212.15443	5.1
212.17442	1.0
213.03961	0.9
213.15814	2.5
217.08612	42.2
219.08209	1.6
219.10033	4.5
223.09669	2.6
226.19231	2.2
228.17947	1.3
231.05029	3.5
231.10193	1.3
235.09647	35.9
247.07495	1.5
247.09702	8.1
248.08141	2.0
249.06038	1.0
261.09195	1.2
263.07089	1.1
263.10709	1.8
264.07770	1.6
265.10727	52.5
269.08142	2.1
271.06009	1.5
271.09656	2.0
275.06866	1.4
290.09387	1.6
291.10260	1.5
293.08063	1.5
315.08649	7.1
319.09851	1.3
323.12732	2.3
325.10681	1.3
327.28418	1.6
329.28659	1.2
329.92801	1.0
330.10953	12.0
331.11832	3.6
335.27841	1.0
337.10773	1.5
339.12189	1.7
342.23853	1.8
343.11792	1.8
351.12515	3.7
351.20706	1.3
351.24390	6.7
351.74637	2.4
356.12836	0.9
359.23416	3.9
359.73520	1.3
368.12766	1.6
369.13510	2.5
371.14960	4.3
383.14899	16.6
401.15979	24.1
490.71683	0.9
665.51239	6.5
683.52319	66.6
684.26636	1.9
684.52301	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	683.4494
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
55.05503	1.3
57.03438	0.5
57.07065	0.7
61.08094	0.4
65.03851	0.3
65.31234	0.4
67.05515	3.8
69.07072	1.2
69.36636	0.8
69.37042	2.4
71.08649	1.5
76.58131	0.3
79.05504	2.2
81.03442	0.5
81.07069	3.4
83.04987	0.5
83.08626	0.4
85.90131	0.4
91.05478	2.5
93.07059	2.5
95.04994	0.6
95.08628	2.2
97.06515	0.6
99.08115	0.5
105.07044	1.7
107.05019	0.5
107.08615	1.6
109.10177	0.9
119.08614	0.8
121.10161	0.6
123.08167	0.4
131.08577	0.4
133.10165	0.9
135.11739	0.7
151.11189	0.6
179.14330	0.8
216.58571	0.4
315.19406	1.1
317.20868	5.2
333.20166	2.4
335.22275	0.4
353.26825	1.0
373.23654	2.3
389.22894	2.8
390.05768	0.4
391.24503	0.7
499.69620	0.5
571.47571	0.7
593.76245	0.4
612.73883	0.4
643.25555	0.7
683.45013	100.0
684.45514	3.4
696.48718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4494
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
55.05510	0.7
55.65242	0.4
57.03452	0.5
57.07067	0.6
61.82021	0.5
67.05504	2.4
69.07078	1.5
69.81886	2.5
70.19453	0.4
79.05505	2.8
81.07073	2.8
89.06026	0.5
91.05475	2.1
93.07040	2.8
95.08633	1.9
98.21497	0.4
105.07039	1.6
107.08607	1.7
109.10147	1.0
114.13000	0.4
119.08588	1.4
121.10118	0.7
133.10155	1.0
136.06216	1.4
147.11674	0.6
150.43193	0.4
159.11740	0.4
161.13341	0.6
243.61655	0.4
247.13245	0.8
255.23352	0.5
263.34763	0.4
317.21042	0.8
333.20367	5.7
357.32413	0.4
373.23639	0.8
389.22943	3.6
571.47302	0.9
597.37598	0.7
683.44971	100.0
684.45166	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	682.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26971	0.5
53.03944	0.9
55.01864	0.6
55.05521	3.6
56.05029	0.7
56.38068	0.5
57.03428	1.5
60.06283	0.5
62.24178	0.6
65.03918	0.8
67.05508	13.8
69.07081	4.5
70.68037	1.9
78.96654	0.6
79.05501	8.4
81.07061	13.2
83.05028	0.6
83.08645	1.5
85.06562	0.8
85.97761	0.6
91.05488	7.9
93.07051	10.2
95.04966	1.2
95.08612	8.6
103.05489	1.3
105.04559	0.7
105.07037	4.5
107.04940	0.8
107.08604	4.6
109.10186	3.1
115.05471	1.0
117.07015	2.1
118.06555	1.3
119.04984	0.8
119.08603	2.4
121.10139	3.5
123.04464	2.2
123.11743	1.1
123.46493	0.6
128.06209	1.3
129.07030	2.8
131.04973	2.6
131.08586	2.0
133.10138	2.0
135.11699	2.2
136.06197	1.6
137.05974	6.0
141.06985	0.9
143.08578	1.5
145.06512	1.8
145.10091	1.1
146.06078	2.1
147.04472	2.0
148.05371	0.6
149.04829	0.9
149.05940	6.2
149.13277	0.9
153.07094	0.7
155.08646	1.1
157.06534	2.1
159.11716	0.8
161.05975	7.2
163.06323	0.8
163.07620	1.8
164.07077	29.8
165.05469	0.7
166.08636	2.0
168.13925	0.9
171.08112	1.4
173.05994	17.1
173.13281	0.7
175.07555	10.7
175.08969	0.6
176.07024	0.6
177.09161	0.6
181.06500	0.8
183.08118	1.3
187.07545	5.0
189.09137	2.2
197.09711	0.9
199.07527	1.3
201.09152	2.5
213.09142	1.4
244.34613	0.6
313.18100	2.6
330.20917	1.1
335.25821	7.6
338.21744	0.6
348.21649	1.2
365.40863	0.6
404.24161	3.7
441.32742	0.7
682.46790	100.0
683.46936	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	681.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
57.03430	0.2
59.05001	0.9
61.02928	0.4
68.34439	0.1
69.03425	0.4
70.06583	0.3
71.01354	0.2
71.56723	0.2
79.05490	0.2
81.03403	0.2
85.02907	1.9
89.06032	0.7
91.05493	0.3
97.02917	0.5
105.07037	0.2
109.02905	0.2
110.60724	0.2
113.02372	0.4
116.52699	0.1
119.04916	0.2
121.02864	0.4
121.06471	0.2
127.03934	0.3
128.23402	0.1
131.04939	0.2
133.08607	0.5
137.05927	0.3
153.01831	0.6
159.02870	0.4
162.03009	0.2
162.09206	0.2
163.11115	0.2
164.07010	0.2
167.07013	0.2
175.03877	0.2
178.08636	0.5
179.09056	0.2
181.05011	0.2
189.01740	0.2
205.03474	1.0
208.09708	0.3
219.05011	0.2
229.04941	0.4
231.05237	0.2
249.06177	0.5
258.05258	13.3
259.05627	0.2
271.05914	0.4
283.06009	0.3
286.04718	33.8
287.05194	0.5
294.05194	0.2
295.05984	0.9
301.07062	100.0
302.07407	1.3
307.05960	0.6
309.07462	0.3
313.07059	0.6
321.07770	0.3
325.07056	0.7
327.20065	0.3
333.07718	0.2
335.09033	0.2
337.06924	0.7
349.06842	0.3
385.23990	0.2
391.07825	0.2
421.09384	0.4
439.10175	0.7
457.11664	0.3
463.12231	0.6
474.18356	0.6
481.10925	0.2
543.11310	0.2
561.12354	0.5
609.12610	0.3
620.66431	0.2
627.13684	0.3
645.14661	0.3
663.15515	0.2
681.16260	0.5
681.27216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62662	0.6
55.01852	1.3
58.06606	0.8
61.02916	0.7
62.42849	0.6
65.03948	0.6
65.49689	0.6
68.99779	0.9
69.03434	3.0
70.06591	2.0
71.56852	1.0
72.08149	1.7
73.02892	0.7
75.01511	0.6
81.03402	2.8
84.04507	0.9
84.08125	1.1
85.02908	7.1
86.09701	1.0
87.02119	0.6
87.04434	0.7
91.05489	1.9
95.04964	0.6
97.02885	2.8
98.97594	1.4
99.04462	1.4
103.03926	1.1
105.03406	0.6
107.04990	0.8
109.02895	3.5
119.04950	3.6
121.02873	9.1
123.07999	0.9
127.03886	3.6
135.04417	0.9
137.02325	1.0
137.05975	1.7
145.02859	3.7
145.04913	0.6
146.62035	0.6
147.04433	1.5
149.02350	1.3
151.03952	0.8
153.01836	2.1
156.37669	0.6
163.03993	3.1
163.05128	0.6
165.01840	9.2
167.03400	2.4
175.03925	0.9
177.01820	1.1
177.05437	0.8
179.03413	0.9
181.04962	1.9
183.02910	2.8
187.03836	1.4
187.05989	0.8
191.03424	1.2
192.10205	1.1
195.02856	3.0
203.03329	1.1
205.04865	1.2
229.05000	1.4
233.04352	0.7
234.12138	0.7
239.07042	0.9
242.05783	1.1
243.02985	0.7
253.04799	0.8
255.06647	1.0
261.03961	1.0
267.06577	8.3
270.05203	3.4
271.06021	27.4
273.03720	0.8
279.06467	1.4
281.08096	6.8
283.06024	100.0
284.06787	11.8
285.07483	1.0
287.05502	22.1
294.05173	1.0
295.02859	1.4
295.06082	15.3
295.09488	2.6
297.04391	0.7
297.07492	3.1
305.08109	3.1
307.06119	3.2
308.06873	3.2
309.04034	2.0
309.07550	23.0
309.11096	1.4
311.05490	1.5
313.07071	80.2
314.07486	0.9
316.15503	1.4
321.07361	3.5
323.05765	0.9
323.09116	19.1
325.06949	3.3
327.04947	1.3
330.17004	2.5
333.07526	3.1
335.05521	0.8
335.09140	1.2
337.07056	33.0
349.07062	14.4
351.08762	4.2
361.02957	0.6
361.07031	12.1
361.11230	1.1
367.08121	6.1
373.07056	0.7
379.08148	17.3
389.06409	1.1
391.08151	0.9
397.09262	10.5
415.10190	6.8
433.11298	1.9
457.11243	0.9
463.08539	1.0
487.12671	1.0
513.10449	1.1
517.13177	1.0
519.10962	1.6
531.04132	0.8
531.11438	11.2
541.13373	1.7
543.11267	1.2
547.38660	0.7
561.12408	22.4
571.14209	1.2
583.14728	1.0
585.12366	16.9
601.15186	1.8
615.13544	17.3
619.16656	1.7
627.13678	7.2
645.14587	14.5
663.15613	19.2
663.26404	1.7
681.16315	6.6
681.26312	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	679.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30215	0.3
61.27947	0.3
67.05495	0.8
71.54683	0.4
79.05489	0.6
79.71334	0.3
81.07064	0.7
83.04939	0.3
89.06043	0.4
91.05480	0.6
93.07069	0.3
95.08599	0.3
109.10211	0.4
248.24619	0.3
354.11172	0.3
385.05603	0.3
537.44354	0.3
577.27295	0.3
611.20410	0.3
679.46027	100.0
680.45923	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	680.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01875	7.3
55.05515	37.0
57.03432	13.2
57.07078	10.3
59.04979	5.6
65.03941	7.8
67.05512	100.0
68.08230	4.4
69.07082	23.2
71.04992	8.3
71.08643	13.1
71.55323	7.7
79.05496	64.6
81.07061	80.4
83.08621	18.5
88.34705	4.1
91.05486	66.7
93.07051	67.9
95.04980	6.1
95.08615	59.9
97.06507	7.0
97.10129	6.2
102.71514	3.9
105.07037	54.6
107.04954	5.8
107.08602	41.4
109.10165	23.4
111.08099	7.0
117.07030	20.7
119.08602	37.9
121.10150	29.4
123.11720	9.8
125.09612	4.8
129.07039	10.1
130.38431	4.3
131.08553	27.8
133.10152	18.3
135.11697	14.5
141.06990	5.0
143.08565	11.8
145.10104	27.5
147.11682	19.0
149.13301	8.5
150.05367	4.2
155.08632	5.7
157.10123	11.8
159.11723	16.8
161.06134	4.9
161.13231	8.0
165.25627	4.4
169.10191	9.3
171.11659	11.3
173.13199	10.5
183.11743	5.5
185.13219	7.7
199.14853	9.5
223.43396	4.1
227.12798	7.3
229.14374	9.9
241.19530	5.9
243.21156	7.5
259.20642	14.9
261.22229	7.7
269.17450	13.1
275.20212	13.5
333.24139	12.1
335.25906	31.6
349.23621	11.9
423.32632	7.4
489.35886	5.0
515.37439	11.8
525.35248	5.0
527.37250	24.7
529.38763	20.5
609.44824	13.3
627.45953	22.0
680.40680	7.9
681.42920	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	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79411	1.9
53.03942	5.5
55.05510	13.9
57.03425	7.0
57.07070	4.4
57.80619	2.2
61.02933	19.6
65.03945	2.7
67.05509	79.0
69.03427	4.6
69.07072	11.9
71.05006	2.8
71.41432	2.9
73.02897	7.7
75.04457	2.6
79.05069	3.3
79.05499	46.6
81.03401	2.6
81.07063	91.8
83.08616	10.1
85.02910	24.4
85.06546	3.6
91.03963	18.9
91.05488	25.7
93.07052	65.0
95.05003	5.1
95.08611	67.0
97.02890	12.6
97.10160	2.9
99.08065	2.7
105.07032	18.3
107.08602	40.7
109.10164	43.4
113.09637	2.3
115.03971	2.2
117.07021	7.0
119.08582	19.3
121.10141	40.8
123.08104	3.2
123.11713	20.9
125.09618	2.3
127.03918	5.4
131.08569	22.8
133.10138	18.3
135.11702	28.5
137.09627	3.5
137.13234	7.7
139.11145	3.4
145.04965	8.8
145.10123	14.7
147.11690	15.0
149.09612	2.7
149.13264	20.5
153.22638	2.2
159.11707	15.7
161.13246	12.1
163.06041	13.0
163.14845	15.3
165.12781	2.9
173.13283	18.1
175.14871	6.1
177.12752	2.5
177.16425	6.1
187.14798	13.6
191.14311	3.6
192.73769	2.3
205.15942	5.3
215.17981	2.5
218.20012	2.2
243.21098	34.1
261.22144	100.0
279.23251	6.2
335.25830	35.7
353.26874	45.3
422.20239	2.2
456.34225	2.6
497.30923	7.7
677.35229	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	677.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56531	0.4
55.61274	0.4
67.05505	0.7
69.07065	0.5
71.08630	0.5
71.55178	0.5
79.05486	0.5
81.07045	0.6
83.04980	0.4
91.05486	0.8
93.07024	0.5
95.08611	0.7
119.08570	0.5
127.25730	0.4
144.61620	0.4
220.16936	0.4
409.17590	1.3
432.98935	0.4
645.26886	0.8
677.31409	8.5
677.48114	100.0
678.48199	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	679.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01880	2.4
55.05506	2.7
55.28069	1.4
57.03425	1.5
61.50744	1.5
61.77638	1.3
61.92972	1.6
67.05497	4.8
69.03430	8.5
69.07063	3.6
70.06582	5.6
71.56879	2.9
73.02904	4.8
79.05495	4.6
81.03442	10.5
81.07051	4.9
82.06562	2.0
83.04957	3.7
83.08620	3.0
85.02925	11.9
87.00836	2.1
87.04478	1.8
91.05483	8.2
93.07044	8.3
94.06570	10.9
95.01353	1.7
95.04945	2.9
95.07343	6.0
95.08593	4.7
96.08160	14.8
97.02879	6.7
97.06555	2.5
98.97586	2.6
99.04437	4.0
100.11287	10.7
100.92587	1.8
103.05435	2.3
105.07013	3.0
106.06596	7.7
107.08561	3.3
108.08129	18.0
109.02889	9.0
109.10161	4.4
110.06050	3.6
110.09698	22.9
111.04462	3.1
111.44150	1.7
116.98619	1.5
117.05732	1.5
119.04929	3.6
119.08575	4.4
120.04501	3.1
120.08115	23.0
121.06517	3.3
121.10143	3.7
122.06048	13.2
124.07623	12.9
127.03925	11.8
131.04901	2.4
132.08084	2.5
133.08658	1.6
133.10110	4.5
134.06010	2.3
134.09686	2.6
135.04413	2.5
135.11678	5.5
136.07599	24.3
137.05972	11.3
137.09625	2.0
138.05508	3.4
138.09145	35.6
140.07065	5.5
144.04427	3.8
145.02853	4.8
145.04871	1.8
146.06020	22.8
146.09648	1.9
147.04446	4.3
148.07573	12.7
149.05995	2.6
150.05496	1.7
150.09128	9.1
152.07106	21.7
153.01826	3.7
154.04956	1.5
160.03917	1.7
160.07512	2.6
162.05508	3.8
163.03897	4.8
164.07098	12.6
166.08649	82.7
167.07053	3.3
169.51276	1.6
172.03944	19.0
173.06007	3.0
175.03949	2.4
175.14870	4.3
177.05467	7.6
178.08673	3.0
181.08638	5.7
182.08156	3.6
182.15405	4.8
184.09871	1.8
190.05008	19.5
191.42172	1.7
193.15843	4.9
194.08131	5.2
196.09796	1.9
197.10780	2.1
198.11526	4.8
199.12328	3.3
201.05489	5.0
204.06583	37.6
206.08249	2.3
207.06502	4.4
209.10797	2.9
209.16472	3.8
210.11546	3.1
210.14919	7.5
211.12331	8.0
211.16911	7.3
212.09346	3.9
212.13147	2.9
218.08095	4.6
222.11359	1.9
223.12300	7.4
224.09286	2.7
225.10187	6.2
225.13959	2.1
226.10950	3.9
227.11697	4.1
227.42354	1.7
235.08759	3.5
235.12248	2.1
236.09398	4.1
237.10265	8.3
237.13847	2.2
238.11125	7.7
239.11827	15.2
241.13469	2.7
243.11264	2.1
246.07625	3.0
248.09607	1.8
249.10286	12.2
250.10991	9.0
251.08009	2.3
251.11844	19.4
252.08733	2.3
252.12587	6.4
253.09772	3.6
253.13391	4.5
255.06552	58.6
255.10864	3.0
256.06836	4.3
256.12076	3.7
257.12811	3.2
262.11057	2.5
263.11777	34.6
264.08875	2.2
264.12540	5.4
265.09744	6.3
265.13336	17.3
266.10501	5.3
267.11307	16.0
267.14267	2.5
269.12839	6.2
271.06067	40.4
271.10638	3.1
271.14355	6.0
272.06430	2.7
273.12277	4.7
277.09775	3.9
278.10440	5.0
279.11328	30.6
280.11975	4.1
281.12912	14.7
282.13516	2.0
283.10745	5.4
283.14154	1.5
284.11453	3.1
285.12375	20.4
287.13879	5.0
291.11319	25.9
292.11993	5.1
293.09647	2.7
293.12863	31.6
295.10733	5.6
296.11609	4.7
297.12360	55.3
298.13019	6.1
299.13922	30.9
301.11853	2.3
301.15317	2.4
305.14963	2.6
307.10724	3.5
309.12363	30.9
311.10254	4.3
311.13812	12.3
313.11890	4.6
313.15662	1.8
315.13400	25.4
319.10767	15.7
321.12250	6.9
323.10281	7.5
323.16089	3.1
325.11835	31.3
327.13461	4.8
330.16211	2.1
337.11844	95.1
339.13437	5.4
341.11298	3.5
343.12952	4.4
345.14597	2.2
351.13361	2.0
355.12128	4.4
357.14624	11.1
369.14355	6.6
371.15652	2.3
373.13965	7.4
385.14111	1.8
390.17780	2.4
398.15103	2.9
399.15683	2.6
401.13492	10.0
402.17981	2.4
404.19513	3.0
416.16089	3.5
430.17572	2.6
431.16898	7.0
432.19336	4.4
446.20905	4.6
449.19659	3.3
450.20111	6.4
458.16855	4.1
462.20300	8.8
462.84268	1.7
464.22006	70.7
465.21933	2.5
472.18771	3.7
476.18149	5.0
477.18661	2.1
482.18906	4.4
490.19781	100.0
491.20160	4.0
492.21289	3.5
508.20883	11.6
514.21832	3.0
522.22339	69.0
523.22815	4.7
540.31372	1.7
587.24542	3.1
611.24854	13.1
629.25995	18.9
647.27203	46.3
679.15540	2.5
679.29181	10.3
679.50604	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	677.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
57.07061	0.3
57.66895	0.2
67.05500	0.4
71.20366	0.5
73.02909	0.3
79.05495	0.5
90.67110	0.3
94.34884	0.3
98.76568	0.3
105.07016	0.4
107.08572	0.5
119.08607	0.4
133.08600	0.3
150.80374	0.3
173.05681	0.3
185.04271	0.5
206.94923	0.3
244.43500	0.3
333.24915	0.6
347.09543	1.3
353.26746	0.3
439.17429	0.3
515.31885	25.2
516.32355	0.4
585.08691	0.3
677.37158	100.0
678.37299	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	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.9
55.05502	14.1
57.03437	7.4
57.07086	3.7
59.67096	2.7
61.02928	26.5
65.03938	3.0
67.05180	4.9
67.05509	77.4
69.03428	6.1
69.07066	16.8
71.04986	2.6
73.02913	8.3
79.05499	48.6
81.06582	4.7
81.07063	80.6
83.08626	8.2
85.02901	25.6
85.06564	4.0
86.32872	2.9
91.03961	28.3
91.05488	20.6
93.07050	52.6
95.08041	4.9
95.08613	55.3
97.02874	13.0
97.06510	5.9
97.10147	3.6
105.07034	23.6
107.08607	31.4
109.10157	38.7
114.79514	2.7
117.07005	9.1
119.08591	21.0
121.10156	40.5
123.08057	2.8
123.11691	12.7
127.03923	9.7
131.08583	18.4
133.10143	16.5
135.11694	25.7
137.13249	6.1
139.11221	3.3
145.05006	14.9
145.10162	14.0
147.11673	11.5
149.13281	25.6
159.11678	14.1
161.13310	14.1
161.49289	3.0
163.06033	26.3
163.14862	17.1
173.13316	13.9
175.14816	4.3
177.16322	6.9
187.14864	7.1
243.21138	38.8
261.22137	100.0
299.85834	2.6
335.25751	16.6
353.26849	37.1
452.49991	3.3
472.64453	2.9
497.30917	3.7
541.19983	4.0
617.22644	14.3
645.21613	8.3
677.44318	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	674.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.0
56.54321	0.8
57.07080	57.5
59.05003	16.6
67.05499	1.2
68.71151	0.8
69.07073	1.8
69.28597	7.5
71.08634	58.4
71.82331	0.8
72.91900	0.8
73.06551	4.0
83.08596	1.4
85.10184	53.9
87.04470	14.4
87.77271	0.9
89.06036	100.0
91.07613	1.0
97.10167	1.2
99.11750	6.2
103.07601	6.3
104.29691	0.7
107.07038	1.0
117.09183	4.1
119.63876	0.8
130.08638	2.1
131.07060	5.3
133.08609	81.3
141.16420	5.7
161.11731	1.4
164.13222	0.9
164.95544	1.0
175.09680	5.2
177.11243	35.5
184.07301	1.1
192.31424	0.7
199.20589	7.0
219.12413	1.0
221.13867	7.0
239.14880	1.5
243.23277	5.8
265.16507	3.5
283.17453	2.7
309.19092	1.7
319.38565	0.9
327.20059	1.5
353.21649	2.1
371.22687	3.2
415.25217	2.2
442.75980	0.9
451.54236	0.9
459.27966	14.3
499.30917	2.8
657.48260	4.3
674.50983	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	675.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47510	0.3
53.90042	0.3
54.32492	0.3
66.70622	0.3
66.84733	0.3
69.44427	0.3
69.86196	0.6
69.86588	0.7
91.05501	0.4
95.08574	0.3
109.10275	0.3
114.25961	0.3
121.76772	0.3
122.54746	0.3
132.29918	0.3
145.80394	0.4
228.74055	0.3
231.45660	0.4
441.19937	0.5
454.17004	0.9
455.13141	0.8
456.14554	0.4
467.12735	0.5
467.17953	0.6
468.13785	1.8
469.14862	7.8
470.15973	1.0
471.16623	0.7
481.14899	1.9
482.15817	9.3
483.16660	10.5
484.17456	1.7
485.18237	0.6
487.16602	0.4
495.16998	2.0
496.17578	6.0
497.18262	38.7
498.18896	3.9
499.19922	0.7
500.16901	0.4
509.14658	0.5
510.19055	1.6
511.19907	4.9
512.20569	1.2
515.19446	1.2
523.16919	0.6
528.16718	2.0
529.17377	0.5
530.21503	0.4
538.20630	1.0
539.21161	0.4
541.17377	1.3
542.17957	2.4
552.22717	0.4
555.18756	2.2
556.19513	3.0
557.20227	3.5
569.20129	0.8
571.21930	0.5
616.22034	1.4
618.30438	0.5
629.22473	0.8
630.24268	0.5
643.24115	6.2
644.24866	7.6
645.24426	1.1
657.25616	7.0
660.24023	0.6
675.26648	100.0
676.27014	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	674.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30723	0.6
53.03947	1.6
55.01866	1.9
55.05262	1.1
55.05516	15.4
57.03438	2.7
57.06824	1.2
57.07083	15.1
58.05943	0.7
59.05008	8.1
61.02932	1.3
67.05518	4.4
68.99783	1.1
69.03431	8.5
69.07072	100.0
70.06604	2.0
70.36684	2.4
70.37032	0.7
71.05007	2.1
73.02913	1.4
79.05511	1.5
81.03427	11.9
81.07059	5.6
82.50491	0.6
83.04964	1.5
83.08624	50.8
84.08144	1.3
85.02910	20.4
85.06536	1.0
86.09733	0.9
87.00827	6.7
87.04476	1.4
89.06033	16.4
91.05504	2.3
93.07066	2.0
95.04988	1.7
95.08627	2.0
97.02903	7.7
97.06540	1.1
97.10168	5.3
99.04487	3.0
103.07602	2.4
105.01855	3.9
105.07067	1.0
107.08614	1.1
109.02890	12.6
109.10160	0.8
111.04477	2.5
113.06036	0.7
117.01879	1.1
117.09148	1.8
119.08540	0.8
121.06561	1.2
121.10164	0.6
123.11732	1.6
125.06052	0.9
125.13290	5.6
127.03922	12.9
128.04289	0.7
128.88495	0.6
129.01866	1.7
131.07117	1.1
133.08603	12.8
133.10109	0.8
137.05980	1.4
141.12799	3.8
143.14330	20.8
145.04971	3.4
147.11697	0.7
149.06024	1.1
151.09659	4.2
157.15956	1.5
159.02898	3.1
161.15355	3.8
167.07103	1.2
177.11232	3.5
189.04001	1.3
191.12811	9.5
195.12352	2.4
201.18491	20.0
209.13837	6.8
213.04031	2.9
231.05078	2.3
235.15529	1.1
249.16971	5.2
253.16560	0.7
259.22696	14.6
289.09225	1.6
292.62085	0.6
343.93954	0.7
355.17667	0.8
391.30704	4.0
409.31619	57.9
410.32144	0.8
498.08139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.2
57.07080	100.0
58.04216	7.3
58.86919	1.6
59.05002	45.8
67.05507	5.4
69.07058	3.1
69.29422	4.4
69.29832	11.9
71.08637	65.0
71.11196	1.9
72.05778	3.8
73.02924	2.7
73.06559	6.4
77.88401	1.7
81.07060	5.0
83.08612	4.3
85.10185	56.8
86.07304	2.5
87.04490	7.1
87.08154	2.4
89.06041	11.9
90.01917	21.4
91.31973	1.9
93.07069	2.1
95.04942	1.8
95.08626	4.4
97.10182	4.0
98.40089	1.7
99.11733	11.9
101.06010	2.6
101.09665	2.8
103.07573	4.4
109.10147	2.6
113.13275	6.1
115.07613	1.8
116.08369	2.4
117.09135	18.4
131.07076	2.0
133.08647	6.5
147.10234	1.9
152.15620	3.7
155.17950	7.6
183.17410	3.7
196.25038	1.8
197.28485	1.5
208.15488	2.0
213.22148	14.0
222.09824	5.9
227.20117	2.0
252.18083	3.4
271.26379	14.1
281.19516	2.5
313.27426	2.6
321.22922	2.9
328.16058	3.2
434.38361	5.4
456.24985	2.0
522.43744	10.6
673.48407	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	674.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
67.05506	1.1
69.03420	2.0
70.06587	3.5
71.56758	1.1
71.57126	0.9
72.08170	1.3
75.34905	1.0
79.05489	0.9
81.03413	1.9
82.06513	0.9
84.03793	1.1
84.08165	1.8
85.02897	2.6
86.09690	1.7
89.72603	1.0
91.05473	2.6
95.04937	1.0
97.02895	1.7
97.06536	2.1
97.90887	0.9
98.97604	1.6
107.04954	3.0
109.02932	1.3
109.06522	1.3
119.04955	2.2
121.02823	1.1
121.06597	1.0
122.07159	1.0
123.04451	2.9
124.03956	1.3
124.05202	1.0
131.04907	2.7
135.39598	0.8
137.05968	8.7
143.04936	1.5
145.02905	1.8
147.04482	4.8
149.06001	2.9
151.03946	1.6
156.99231	0.8
160.65657	0.9
161.05963	1.6
162.05524	2.7
163.07581	1.4
164.07097	3.3
165.07101	1.5
167.07048	24.3
175.03932	2.1
177.05435	2.4
178.08629	3.6
179.08611	2.2
181.05003	2.0
187.03900	0.9
189.07054	2.2
195.08044	1.2
205.06422	2.4
206.07292	1.4
207.06490	1.4
207.08078	9.9
210.06810	1.6
217.06564	2.4
220.05133	1.6
221.06058	3.4
222.07018	1.0
223.07730	1.8
224.08516	1.0
233.06091	3.0
233.11795	2.2
234.06764	5.3
234.08971	1.0
235.07535	17.5
235.09778	1.5
237.05504	1.0
238.06332	3.4
239.06990	1.5
247.07690	1.1
248.04668	2.1
249.05560	4.1
250.06281	1.0
250.08647	1.7
250.14438	2.2
251.07040	3.7
251.09436	1.5
252.07803	5.5
253.08667	6.2
255.06447	1.9
262.06256	25.4
262.08270	1.4
263.07043	20.2
265.04950	5.4
265.07520	2.8
266.05719	4.7
266.08267	1.7
267.06552	2.6
267.10223	2.6
277.05078	1.9
278.05682	1.7
278.08359	1.7
279.06546	3.0
279.09085	1.8
280.07141	5.6
280.09851	3.8
281.08139	13.0
282.08142	1.9
283.05981	2.2
290.05600	5.2
291.06503	2.9
293.07468	1.1
294.07745	2.9
295.06046	2.9
295.09720	3.7
297.07565	2.1
298.08386	2.5
301.10825	1.1
305.08234	1.4
307.08484	3.2
308.06454	10.5
308.09814	1.8
309.07394	9.2
310.07404	3.4
311.05627	2.8
313.10675	12.8
323.09164	28.7
324.09167	2.1
325.09680	3.6
326.07828	9.7
329.10196	1.2
330.13315	5.1
336.77274	1.0
340.11832	15.0
340.15543	1.7
341.10211	41.6
358.12857	100.0
359.13120	1.7
400.13916	4.0
409.18155	3.1
436.14127	1.5
456.50827	0.9
484.15674	2.2
502.17191	7.4
520.18164	14.6
635.77252	1.0
642.21997	1.1
647.07880	1.0
674.24384	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	672.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	1.0
53.67525	0.6
55.00577	0.6
55.05520	2.5
57.03442	2.7
57.07077	100.0
59.03419	0.6
59.05004	51.7
66.98457	0.6
67.05515	0.7
69.07074	2.2
71.08634	98.0
73.06570	1.6
81.07063	0.9
83.08618	3.7
85.10186	95.9
87.04456	3.8
87.08111	0.9
89.06036	33.2
93.06995	0.7
97.10168	1.6
99.08115	0.9
99.11731	11.6
101.06014	1.5
101.09671	4.2
103.07582	2.2
105.07057	0.9
115.07584	0.7
117.09135	17.1
127.30958	0.6
130.08598	1.1
131.07037	0.9
133.08606	20.3
141.16377	11.4
147.10129	1.5
151.27026	0.8
175.09715	1.5
177.11234	11.0
199.20572	29.5
221.13898	1.1
232.98730	0.7
237.17105	0.8
239.14792	0.9
240.23180	2.4
257.24765	40.2
265.16293	1.1
270.51752	0.7
283.17508	11.4
315.28912	3.9
323.20544	1.7
341.21756	5.4
381.24869	1.9
397.21585	0.7
399.25830	2.1
599.25049	0.9
624.76929	0.8
655.31079	1.2
658.64856	0.7
672.52582	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	672.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29253	0.3
52.78772	0.4
53.00339	0.5
53.03971	0.4
55.05515	3.8
57.03442	4.4
57.06816	1.3
57.07079	36.5
61.02932	14.9
67.05508	9.4
69.03464	1.2
69.07068	7.1
69.95152	1.2
69.95557	0.6
71.05011	0.5
71.08635	31.1
73.02914	4.9
75.04480	1.9
79.05529	0.7
81.03465	0.6
81.07059	16.0
83.08622	10.1
85.02908	16.4
85.06580	0.8
85.10184	19.7
86.65626	0.4
89.05585	0.6
89.06022	2.1
91.03959	15.6
91.05539	0.5
93.07087	0.9
95.08610	24.3
97.02899	8.4
97.10175	6.2
98.21509	0.4
99.04505	1.1
99.11784	1.4
103.04002	0.7
103.07642	0.9
105.07109	0.4
107.08607	0.6
109.02873	0.5
109.10163	11.3
109.34875	0.4
110.02747	0.3
111.11777	1.3
113.13323	0.7
115.03967	0.9
117.09158	0.5
121.10261	0.5
123.11711	5.5
125.13322	0.6
127.03917	5.8
127.04789	0.4
129.02240	0.3
137.13263	1.7
145.04971	8.0
151.14897	1.0
163.06029	13.3
163.94504	0.4
165.16440	0.4
198.08301	0.4
221.22658	1.6
239.23718	20.9
253.16377	0.6
257.24771	4.2
298.27475	0.6
313.27374	100.0
314.27695	1.6
320.19839	0.4
331.28433	49.0
332.28986	0.6
407.33841	0.6
672.41321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59791	0.7
53.03927	3.2
55.01865	1.7
55.05513	38.5
57.03418	1.9
57.07078	16.6
58.50908	0.8
59.05005	9.9
67.05486	3.5
68.06433	0.8
69.03435	6.0
69.07072	30.6
71.04999	1.3
71.08607	3.5
71.55378	1.0
79.05489	2.6
81.03027	0.8
81.03425	7.0
81.07065	9.0
83.04961	1.7
83.08622	100.0
84.08109	1.2
85.02908	12.9
87.00850	4.6
87.01280	0.8
89.06028	14.5
91.05464	3.2
93.07046	2.0
95.04958	3.3
95.08600	3.7
97.02904	6.0
97.06496	0.8
97.09539	1.6
97.10175	31.5
98.97567	1.4
99.04449	2.2
103.07576	3.2
105.01859	2.9
105.07016	1.9
107.08582	1.6
109.02883	8.5
109.10159	1.3
111.04426	2.2
111.11725	1.5
117.08371	0.7
117.09132	3.2
119.08585	2.5
121.10159	1.4
127.03925	10.4
129.01927	0.9
131.04947	1.0
131.08493	1.0
132.87057	0.8
133.08597	11.8
133.10135	1.2
135.04219	1.1
135.11734	1.8
137.05959	2.5
137.13190	1.0
139.14841	1.3
143.08629	1.2
143.14326	2.2
145.04919	2.3
145.10121	0.9
151.07674	0.8
151.09688	5.4
151.10710	1.0
155.14307	3.0
157.15886	24.4
159.02875	1.4
167.07094	1.8
175.16977	4.7
191.12825	7.1
194.92552	0.8
209.13853	8.5
213.03906	3.1
215.20079	16.6
222.08365	0.8
229.88435	0.9
231.05052	2.4
249.16968	4.0
273.24243	11.4
289.09076	1.4
323.43997	0.9
420.14395	0.8
423.33224	14.8
504.61215	0.9
505.22186	1.0
671.33966	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	672.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	1.1
59.82228	0.6
61.37349	0.6
68.42062	0.6
69.03385	2.5
70.01518	1.8
70.01913	1.0
79.05444	0.8
80.03379	0.6
81.50346	0.6
85.02859	3.0
91.04880	0.7
96.04459	1.2
97.02851	1.4
98.21423	0.8
99.04398	1.0
100.63875	0.6
104.20204	0.6
107.04921	1.7
108.13699	0.6
109.02855	0.8
118.57412	0.6
123.04398	2.3
127.03861	0.9
131.04906	1.3
137.05939	1.6
140.39618	0.6
143.04851	0.9
144.05664	0.7
147.04416	3.5
148.99754	0.7
149.05939	2.6
151.05055	0.8
153.05424	0.8
161.05977	1.6
162.05437	2.6
164.07101	3.5
167.07047	27.2
175.03856	1.9
176.07097	1.1
178.07765	1.2
179.08537	3.3
181.04916	1.6
187.03835	0.8
189.04144	0.7
189.06996	3.5
195.08087	1.3
205.06493	3.6
206.07275	2.2
207.08080	11.6
210.06734	2.5
217.06470	2.8
220.05121	2.0
221.05943	4.9
222.07602	1.0
223.07632	1.4
224.08267	1.3
226.06172	1.1
227.06998	0.9
233.06007	2.5
234.06815	9.2
234.09061	1.3
235.07541	25.7
237.05516	1.6
237.07739	0.8
238.06258	3.6
241.08495	0.9
245.05849	2.4
248.04692	0.8
249.05481	4.8
249.07626	0.6
249.09169	1.0
250.06175	2.2
250.08549	1.3
251.07018	5.2
251.09402	1.7
252.07869	7.6
253.08592	5.9
255.06615	0.7
262.06244	31.1
262.08679	3.2
263.07034	26.4
264.07654	2.2
265.04913	6.0
265.07559	2.0
266.05746	6.4
266.08206	0.8
267.06470	2.8
267.10025	1.5
269.08023	1.5
270.08719	0.8
277.04855	2.2
277.08340	1.4
278.05539	1.4
278.08246	1.6
279.06473	5.0
279.08997	2.0
280.07062	8.2
280.10046	4.1
281.08081	14.4
282.08273	2.3
283.06033	2.9
290.05634	6.8
291.06479	4.7
293.07367	1.3
294.05118	2.4
294.07980	4.5
295.05969	4.1
295.09650	4.7
296.09348	0.8
297.07617	2.5
298.08127	4.0
301.10623	0.8
305.08044	0.9
307.08490	3.6
308.06418	14.7
308.09320	3.6
309.07404	12.8
310.07651	3.8
311.05466	2.4
313.10666	15.7
314.10263	2.0
323.09116	38.9
324.08939	2.5
325.09656	4.3
326.07819	9.3
329.10223	1.8
330.13385	8.5
331.12042	0.8
338.10239	0.9
339.11099	1.4
340.11877	14.6
341.10190	54.2
358.12848	100.0
359.13205	1.6
370.13077	0.8
382.13028	1.0
400.14191	3.6
412.14319	0.7
413.58517	0.8
436.13901	1.2
466.14938	1.0
484.15872	2.8
502.17126	6.5
520.18170	19.8
672.24976	96.5
673.25616	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	671.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	0.9
61.06523	0.4
61.80123	0.5
65.56291	0.5
69.89719	2.6
71.08614	0.7
74.06240	0.4
81.07086	0.5
85.10174	0.5
95.04990	0.5
98.20710	0.7
223.12408	0.5
233.10930	0.6
238.15039	0.5
249.13876	0.5
259.12421	0.5
320.57352	0.5
367.19305	1.4
376.17673	0.5
379.19492	0.7
380.20233	0.6
381.16934	0.8
391.19196	0.7
393.17102	0.5
395.18875	1.8
405.21136	0.7
407.18369	1.0
409.20361	1.3
410.20856	0.8
411.21979	0.8
421.20450	1.4
422.21225	1.0
423.18094	1.0
425.23471	1.3
431.18509	0.9
433.19955	0.8
435.21979	0.7
437.23734	1.5
438.20538	2.5
439.21344	1.5
445.20428	1.3
446.20868	1.0
447.21970	1.2
449.24313	1.0
450.20447	1.0
451.21570	0.8
452.22079	0.7
453.22839	8.0
454.23755	1.1
459.21939	1.7
460.22656	1.9
461.19284	0.6
463.21509	0.7
464.18195	0.9
465.22656	1.4
467.24255	0.7
469.26074	1.9
474.24344	1.8
476.22125	1.8
477.23706	2.4
479.20673	1.1
480.25510	0.7
483.24130	1.2
487.21548	0.7
493.22241	0.8
497.25537	3.9
501.22870	1.4
502.24261	2.3
503.20538	1.2
504.21439	0.5
507.24316	1.5
512.27917	3.2
520.24670	0.9
521.22095	0.8
525.24805	2.3
529.22473	1.2
533.25720	2.9
534.25903	0.6
535.26477	0.7
536.24091	0.6
538.25726	1.9
540.27368	7.9
545.25372	3.4
551.26404	2.2
561.25201	2.4
563.26294	1.8
565.24951	0.7
579.25806	1.9
589.24463	4.3
593.27588	1.0
607.25775	1.1
611.27551	2.7
621.27161	1.0
627.27698	0.7
639.28070	6.9
653.29688	1.4
671.30737	100.0
672.31348	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	669.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	0.5
67.05505	3.2
69.07055	0.8
69.48144	4.1
71.08628	0.8
79.05495	2.0
79.15424	0.6
81.07041	2.9
86.61348	0.6
91.05477	1.4
93.07047	1.5
93.80951	0.5
95.08620	1.4
105.07047	1.0
107.08627	1.4
109.10148	1.1
112.78626	0.6
118.15565	0.6
119.08593	0.6
121.10146	0.9
150.69785	0.7
244.46902	0.6
301.21692	0.7
310.99051	0.6
317.20920	1.7
319.22464	1.3
357.22638	0.7
373.23663	2.4
375.25229	1.9
466.29071	0.6
669.47052	100.0
670.47430	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	671.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61851	0.5
57.07072	0.7
63.63770	0.5
64.77705	0.5
70.68060	1.4
71.08645	0.7
77.48453	0.5
82.98595	0.5
87.80428	0.5
96.31895	0.5
101.06039	0.6
120.72584	0.5
237.13947	0.8
251.15576	0.5
272.08688	0.5
308.05750	0.5
308.13531	0.5
329.15771	0.6
353.17731	0.7
367.19302	2.3
378.19150	0.6
379.08087	0.5
380.20279	0.7
381.16922	0.9
391.19403	0.8
394.21793	0.8
395.18863	1.7
397.20288	0.6
404.20602	0.7
405.21115	0.5
407.18634	1.0
408.18842	0.5
410.21024	0.9
421.20175	0.9
422.21332	1.1
423.17725	0.8
436.22830	0.9
437.23676	0.8
438.20425	2.6
439.21127	1.4
445.20419	0.8
447.22028	1.5
448.22531	0.8
449.23883	0.9
451.21500	1.5
453.23004	7.9
454.23489	1.1
459.22055	0.8
460.22867	1.1
461.23624	0.9
462.20349	1.4
463.20853	0.7
464.18439	1.0
465.22925	1.7
467.25226	0.7
469.26077	2.1
473.22745	0.6
474.24368	1.4
476.22284	2.1
477.23184	2.7
478.19904	0.5
479.21008	2.1
483.23962	1.1
491.24115	0.7
493.22455	0.7
495.23618	1.0
497.25424	3.5
502.23969	0.9
503.21103	1.7
505.18704	0.7
507.23773	0.6
510.26263	0.9
511.27350	0.8
512.27734	3.0
519.24719	0.7
520.24957	0.7
521.21442	0.7
523.19965	1.4
523.27002	0.9
525.24817	3.1
529.22479	0.7
533.25568	1.5
534.26038	0.9
535.27087	1.4
536.24341	1.3
537.24896	1.8
538.25677	3.4
540.27362	8.0
545.25500	1.9
551.26593	3.0
561.24670	1.8
563.26337	2.4
565.24561	0.7
579.26215	2.0
589.24524	1.7
593.27521	1.5
607.25580	1.4
611.28497	2.4
639.28186	6.7
671.30731	100.0
672.30847	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	669.419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37259	0.5
57.03444	1.3
57.07073	3.2
59.05007	0.6
61.02930	4.8
67.05508	5.7
69.03431	2.1
69.07052	0.6
71.08621	3.1
71.56747	0.6
72.44119	0.6
73.02923	2.9
81.03416	1.2
81.07061	1.6
83.08615	1.4
85.02901	4.0
85.10195	1.5
89.06074	0.6
91.03963	2.7
91.05468	0.7
93.07066	0.9
95.08611	2.5
97.02900	4.2
97.10247	0.5
101.02377	1.4
109.02916	0.6
109.10172	6.7
116.72464	0.6
127.03935	1.5
155.10535	0.6
173.00972	0.6
173.11790	1.6
185.04259	0.9
195.09901	0.6
200.58470	0.6
203.05240	0.7
212.37234	0.5
229.14340	1.4
243.08435	1.8
247.37621	0.5
284.52997	0.6
313.27374	1.1
318.90488	0.5
413.17804	9.1
457.00491	0.6
497.30914	4.9
669.41852	100.0
670.42120	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	667.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.05510	0.9
57.03438	0.5
67.05505	3.8
69.07076	0.7
69.42118	2.6
79.05508	1.5
81.07050	2.5
81.56216	0.3
83.08630	0.5
85.10199	0.4
85.91197	0.3
91.05490	1.0
93.07034	1.9
95.08601	2.7
105.07047	0.9
105.77501	0.3
107.08606	1.0
109.10178	1.0
119.08640	0.7
121.10196	0.7
133.10130	0.5
139.79700	0.3
247.12985	0.8
307.03378	0.4
315.19614	0.6
333.20404	7.8
335.25861	0.7
350.97333	0.4
389.23080	4.2
581.37970	0.5
667.45490	100.0
668.45673	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	669.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09974	1.2
53.03933	1.2
55.01852	1.3
55.05508	2.2
58.53832	1.0
67.05489	2.2
69.03416	3.9
69.07088	1.4
70.06573	2.3
71.04994	1.8
71.57283	1.4
79.05495	1.6
81.03408	4.0
81.07066	1.9
85.02885	5.0
85.06570	2.5
86.09694	1.6
91.05482	14.0
93.07040	1.2
95.08591	1.9
96.11293	1.0
99.04434	2.4
103.05427	2.0
105.07017	3.2
107.08542	1.4
109.02847	3.5
109.10129	1.9
119.04961	2.0
119.08574	2.3
120.08067	1.5
121.06554	2.6
121.10144	2.1
121.76016	1.0
127.03915	3.3
130.06502	1.2
131.04851	1.2
133.06465	2.9
133.10115	2.2
135.11676	2.3
135.21855	1.1
136.07567	3.2
136.35831	1.1
137.05930	4.5
145.10127	1.2
147.04356	1.5
149.06120	1.1
150.06732	4.3
151.07521	3.0
165.09123	21.2
167.07011	2.3
173.01140	1.1
177.05539	2.5
184.07587	1.6
199.09901	3.3
200.10674	2.3
205.10915	1.6
207.06531	2.0
214.08528	2.4
218.11765	1.3
221.07977	2.4
223.09874	1.5
225.09239	1.4
228.10147	1.4
229.10942	4.0
230.11736	1.5
236.10625	5.5
237.11499	1.7
238.12263	2.8
240.10248	4.1
240.13841	2.9
242.11757	12.9
244.13338	1.8
248.10641	2.1
248.12857	5.6
249.11470	3.7
250.12260	2.2
251.10600	1.2
251.13029	2.6
252.10121	1.7
254.11714	5.8
255.06509	4.1
255.12531	5.5
256.06924	1.8
256.13293	11.8
257.07462	1.3
264.10190	15.2
264.13818	3.7
265.10938	7.2
266.11771	13.6
267.12500	4.3
268.13254	6.0
269.14096	1.6
270.14911	25.2
271.15610	2.6
272.12756	3.7
278.11841	5.6
279.12546	7.0
280.13370	63.8
281.14102	23.6
282.11694	2.0
282.14844	16.4
286.14343	2.5
287.11560	1.5
292.13187	1.7
294.14890	33.5
295.15738	4.9
296.13071	1.3
296.16446	30.0
297.13443	1.9
298.10974	1.6
298.14401	33.5
302.14099	1.2
312.12381	2.2
312.15942	34.0
314.17377	4.5
322.10516	2.5
322.14368	48.1
324.12473	1.7
326.14032	1.9
326.17493	8.3
327.18155	2.7
330.17010	68.4
331.17340	1.4
335.45157	1.1
338.13876	3.2
340.11584	1.5
340.15469	19.2
341.16260	1.9
342.13281	2.0
342.16989	1.2
345.19543	1.6
356.14853	5.2
357.15506	2.6
358.16473	1.2
366.16824	1.5
372.18094	67.8
390.19275	7.9
394.16611	1.4
398.19623	4.3
426.19077	3.3
428.20514	1.3
452.20407	1.7
456.19608	1.3
466.18729	9.5
472.19617	3.8
484.19598	10.8
488.22745	6.9
498.21271	18.4
500.19394	5.8
501.19284	1.5
516.22382	19.1
517.09015	1.1
532.21783	6.4
534.23627	6.6
550.23010	1.5
619.16199	2.0
619.26508	33.2
651.29175	71.5
652.28992	1.9
669.29797	100.0
670.29956	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	667.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12493	0.6
55.05526	0.6
57.07058	0.9
59.43608	0.5
60.41034	0.5
67.05512	2.5
69.07080	1.2
71.08656	0.7
79.05493	2.0
81.07072	1.8
91.05459	1.5
93.07049	3.3
95.08628	2.4
105.07018	1.1
107.08646	1.1
112.97790	0.6
119.08605	2.2
121.10188	1.4
135.65639	0.6
166.60426	0.6
188.58647	0.6
198.62918	0.6
317.20874	4.3
342.17459	1.0
373.23560	4.6
498.82303	0.8
667.45502	100.0
668.45551	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	667.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.6
53.04388	0.5
55.05516	0.9
57.74660	0.6
60.97112	0.6
67.05496	2.1
69.07065	1.1
69.47708	2.4
69.48129	1.9
71.08637	1.1
79.05502	2.7
81.07079	2.7
83.08626	0.6
91.05510	1.6
93.07066	2.6
95.08617	1.5
105.07019	0.9
106.60764	0.6
107.08577	1.2
117.01170	0.6
119.08604	0.8
131.08563	0.8
135.11742	0.8
149.58017	0.5
179.14456	0.8
198.87656	0.5
211.05708	0.6
217.07661	0.5
315.19318	0.9
317.20935	10.2
373.23642	4.7
526.34418	0.7
597.37140	0.9
667.45514	100.0
668.45740	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	667.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.05509	1.3
61.02897	0.7
67.05506	5.4
69.03426	1.3
70.85913	1.5
79.05502	3.2
81.07057	6.4
83.08627	0.8
85.02908	1.1
91.05457	1.6
93.07023	1.4
95.04921	1.1
95.08605	3.3
97.02913	0.8
102.04677	1.3
103.05470	1.5
105.07001	1.4
107.08590	0.9
109.10131	2.2
110.09705	0.9
113.64833	0.6
115.05430	1.4
119.04946	0.9
119.08597	0.9
130.04172	4.4
130.06531	17.4
131.04936	1.5
131.08620	0.7
137.05969	1.7
143.04916	4.0
144.09097	0.6
147.04428	4.6
147.06778	2.3
151.07545	8.7
158.06017	4.3
159.08040	0.8
159.11615	0.6
160.05182	1.0
161.04665	1.6
161.05907	0.9
162.06755	25.7
162.08121	1.3
163.06288	1.3
163.07529	1.4
165.09154	2.2
173.13176	0.7
174.05383	0.7
175.06271	11.7
175.07581	2.3
175.99066	0.6
176.07077	7.6
178.08640	13.0
189.07881	1.6
190.08632	100.0
191.09230	1.4
192.10191	1.8
207.07954	0.6
214.08607	1.1
222.10410	1.1
225.09062	0.9
228.10156	2.6
229.14418	0.8
234.38351	0.6
235.07477	0.8
238.09871	1.3
239.10683	0.9
241.08400	0.8
242.11826	1.3
243.12578	2.2
249.09079	1.5
250.09862	3.6
251.10678	0.7
253.12283	1.3
254.09314	0.7
258.14877	19.1
266.09528	1.1
267.10223	4.1
269.08121	0.7
271.09662	1.1
275.20084	0.9
279.10019	0.6
280.10846	0.8
281.11691	8.8
282.12540	7.1
283.09641	1.9
284.10333	1.3
284.13348	0.6
285.10849	1.1
286.11954	0.9
294.12524	0.8
296.10492	1.0
298.12027	3.7
298.18146	1.4
312.19641	0.6
313.14352	2.7
340.22714	5.6
342.17001	91.2
343.17426	1.0
410.23218	3.9
448.05380	0.7
476.28467	0.7
492.31122	23.4
505.34805	1.1
649.38000	0.7
667.37427	32.2
668.37921	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.3
57.03444	0.3
61.02932	0.4
67.05508	0.3
69.03436	0.7
69.07072	0.5
70.06585	0.3
71.08659	0.2
71.56686	0.3
73.02919	0.6
79.05512	0.3
81.03443	0.4
81.07066	0.4
83.08593	0.3
84.04546	0.2
84.08154	0.2
85.02915	0.7
91.05505	0.6
93.07034	0.3
95.08631	0.3
97.02933	0.3
98.49996	0.2
105.07037	0.4
107.07356	0.4
107.08614	0.3
109.02882	0.3
109.10173	0.3
117.05764	0.4
118.06585	1.4
120.08094	0.4
123.11768	0.2
127.03904	0.5
130.06564	0.6
131.07338	0.3
131.08516	0.2
132.08063	1.0
133.08875	0.2
136.06224	0.3
137.06010	0.4
144.08090	0.5
146.09631	1.3
147.04515	0.2
147.11760	0.2
151.09927	0.5
158.06850	0.2
158.09706	0.3
160.11243	0.3
162.09158	3.7
163.09953	0.2
167.07080	0.2
172.11243	0.2
174.09204	0.6
175.09941	0.3
176.10719	3.7
177.11505	0.4
178.12173	0.3
186.12874	0.2
189.09596	0.2
190.12286	7.1
200.13988	0.2
202.16106	0.3
203.17906	0.3
204.13844	1.1
214.15918	0.2
216.17586	0.2
218.15459	0.5
221.08192	0.4
230.15526	0.4
232.17049	0.9
235.64159	0.2
246.18544	0.6
248.05370	0.2
255.06544	1.7
256.06870	1.4
256.16986	0.4
258.18591	0.2
260.20148	0.7
271.06256	0.2
272.06360	0.5
274.18326	0.3
288.23407	0.3
290.17719	0.4
304.19162	0.3
318.20584	1.1
320.22238	0.3
324.26978	0.6
332.22382	0.6
340.26343	1.5
356.25848	0.5
368.25870	4.9
386.26859	2.8
402.30316	0.4
404.28091	0.2
414.30127	0.3
417.28470	0.2
418.29517	3.2
430.29517	1.3
442.29794	0.6
448.30627	11.9
449.30960	0.3
458.32755	0.3
460.30643	1.2
488.33936	1.1
504.33240	8.4
580.33704	0.5
604.35040	0.5
622.34930	1.4
630.35413	0.3
666.38538	100.0
667.39209	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	666.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
55.05505	0.3
56.96558	0.2
57.03440	0.2
61.02921	0.6
67.05497	0.3
69.03428	0.6
69.07060	0.5
70.06590	0.7
71.04974	0.2
71.56321	0.3
71.56706	0.2
73.02912	0.5
79.05505	0.5
81.03426	0.4
81.07061	0.6
83.08602	0.2
84.08150	0.2
85.02905	0.9
91.03967	0.2
91.05487	0.5
93.07055	0.3
95.08602	0.3
97.02910	0.6
97.06538	0.2
98.97614	0.3
99.04488	0.3
103.05504	0.2
105.07053	0.5
106.37966	0.2
107.07340	0.3
107.08596	0.2
109.02832	0.2
109.10159	0.3
118.06558	1.5
119.08598	0.4
120.08130	0.3
121.06464	0.2
121.10191	0.2
123.11688	0.2
127.03954	0.4
127.08499	0.1
129.07011	0.3
130.06522	0.9
131.07320	0.3
132.08096	1.3
133.08904	0.3
135.08089	0.2
136.06209	0.3
137.05975	0.6
144.08109	0.6
145.05038	0.2
145.08961	0.2
146.09662	1.4
147.04300	0.2
147.11702	0.2
149.09532	0.2
151.09944	0.4
153.01825	0.3
158.09631	0.2
160.11244	0.3
161.05945	0.2
162.09149	4.2
163.09972	0.2
164.07127	0.5
164.10837	0.2
174.09190	0.8
174.12750	0.2
176.10718	4.5
177.05583	0.3
177.11427	0.8
186.12811	0.2
188.10745	0.3
190.12277	6.4
196.77705	0.2
200.14458	0.2
202.16017	0.3
203.17976	0.2
204.13817	1.2
218.15448	0.6
221.08199	0.4
228.17520	0.3
230.15407	0.3
232.16943	1.0
244.17084	0.3
246.18570	1.2
255.06575	1.5
256.06985	1.1
256.17072	0.5
258.18698	0.3
260.20114	0.8
271.06030	0.4
274.18240	0.2
288.23337	0.4
290.17780	0.4
304.19174	0.6
312.27008	0.2
318.20685	1.5
320.22311	0.4
324.27011	0.8
332.22229	0.4
340.26392	1.8
356.25940	0.5
358.27567	0.3
360.25348	0.3
368.25827	5.5
374.26996	0.4
386.26895	2.6
402.30206	0.5
404.28174	0.4
414.30130	0.2
418.29587	3.6
430.29550	1.6
442.29507	0.8
446.33096	0.3
448.30606	14.4
458.32529	0.3
460.30450	0.9
474.32367	0.3
488.33850	0.9
504.33252	10.0
505.33469	0.3
508.19775	0.2
580.34125	0.6
604.34717	0.2
622.34937	1.2
648.37689	0.3
666.38507	100.0
667.38800	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	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05520	1.1
57.03435	1.5
57.07066	0.3
61.02928	4.5
67.05166	0.4
67.05504	4.3
69.03442	1.8
69.07059	0.9
70.49205	0.6
71.05014	0.3
73.02917	2.3
79.05490	2.5
81.03412	1.3
81.07056	4.9
83.04982	0.8
83.08619	1.1
85.02422	0.4
85.02902	4.8
85.03371	0.4
85.06535	0.4
87.04473	0.5
91.03959	3.5
91.05476	1.8
93.07052	3.5
95.04941	0.4
95.08635	1.3
97.02895	4.0
97.06532	0.8
97.10124	0.3
99.04456	0.8
99.08085	0.3
101.02381	0.8
103.03952	0.3
103.05360	0.2
105.07015	0.9
107.04949	0.5
107.08601	2.0
109.02875	0.7
109.06517	0.6
109.10167	1.1
111.08116	0.4
113.09760	0.3
115.03922	0.3
117.07015	1.3
119.08584	0.6
121.06469	0.4
121.10196	1.3
123.08073	0.3
123.11692	0.4
127.03911	1.4
131.08566	0.9
133.10150	1.3
135.08107	0.3
135.11673	1.2
145.04979	0.8
147.11736	0.3
149.06145	0.3
149.13263	1.5
153.09323	0.2
157.10057	0.2
159.11763	0.8
161.06052	0.3
164.07088	0.8
173.06035	0.6
173.11804	0.3
174.06271	0.2
177.12784	0.3
185.04283	0.5
195.13803	1.3
197.10312	0.2
203.05316	0.4
235.13091	1.8
243.08469	1.6
269.17520	1.3
271.06021	2.8
275.20142	0.3
291.15793	0.4
297.17007	0.3
363.17712	0.4
363.67657	0.6
453.20947	16.8
503.29898	0.5
567.92377	0.2
645.30365	0.3
665.35065	100.0
666.35236	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	665.3896
Annotation	Quadranoside V
Peak:m/z	Relative Intensity
50.00658	2.0
53.03941	9.2
54.51430	2.0
55.01865	11.3
55.05513	26.2
57.03432	8.9
57.07082	2.6
61.02926	3.8
65.03924	2.8
67.05507	100.0
69.03428	25.3
69.07072	23.8
70.97478	6.2
71.04988	6.7
73.02904	3.8
79.05492	40.1
81.03422	40.5
81.07061	48.5
83.04991	14.7
83.08631	13.5
85.02910	9.5
85.06547	5.5
91.03960	2.5
91.05483	38.6
93.07043	34.0
95.04968	10.1
95.08611	26.4
97.02882	13.0
97.06542	10.1
97.10163	11.2
99.04443	6.4
105.07033	31.6
107.04961	9.8
107.08596	30.8
109.02887	13.9
109.06524	5.2
109.10157	60.1
111.04448	9.5
111.08127	5.2
111.74610	2.3
112.35867	2.7
115.05454	2.7
117.07007	12.3
119.08588	27.6
121.06480	5.3
121.10140	16.0
123.04412	2.6
123.08105	5.3
123.11681	3.6
125.09620	11.5
127.03905	12.3
128.06219	3.0
129.05489	3.9
131.08592	14.4
133.06490	4.9
133.10141	19.1
135.08078	6.6
135.11671	6.5
137.06001	5.1
137.09599	5.5
139.11180	2.5
143.08574	5.6
145.10149	14.2
147.08057	2.9
147.11734	15.5
149.09654	12.9
149.13310	5.4
151.11122	2.5
155.08598	3.8
157.10107	3.1
159.11676	10.2
161.13252	5.6
163.11203	7.3
169.10109	4.1
171.11697	5.8
173.04475	3.9
173.09631	3.5
173.11745	16.9
173.13298	6.1
177.12762	3.7
183.11685	3.5
185.09593	2.8
185.13202	2.9
187.11223	5.7
187.14917	3.7
189.11256	9.5
189.12779	3.5
197.13150	3.4
211.13248	2.7
216.05159	2.6
227.12801	8.9
229.14351	28.5
245.13904	2.9
247.20709	4.1
257.19064	10.0
271.06012	22.2
275.20081	50.0
282.04141	2.6
293.21173	6.8
299.14993	5.6
349.23727	27.8
355.17288	3.6
373.18600	20.2
373.22998	3.7
401.23193	2.7
485.32507	6.2
503.33664	42.7
521.34320	4.3
629.36829	3.8
647.38263	25.3
665.38824	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	666.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
54.26656	0.8
55.01875	2.9
57.03441	2.0
63.55198	0.7
64.27060	0.8
67.05508	1.6
68.99796	1.6
69.03437	5.6
69.07072	1.2
70.06587	3.2
71.05000	1.0
71.56474	0.8
73.02925	1.2
75.68497	0.8
78.77871	0.7
79.05494	2.3
81.03419	7.8
81.07065	2.5
84.08147	0.9
85.02906	12.0
87.00830	3.3
91.03960	1.0
91.05486	3.7
93.07030	2.8
94.04226	1.0
95.04981	1.2
95.08617	3.2
97.02881	5.0
99.04446	2.4
103.05468	2.3
105.01872	2.8
105.07031	11.7
107.04913	0.8
107.08601	2.7
109.02867	8.2
109.06528	1.7
109.10162	2.7
115.05457	3.3
119.04972	1.1
119.08569	2.7
120.04478	1.0
121.10135	1.7
122.03650	2.6
122.06044	1.8
126.05507	1.1
127.03912	8.7
129.10324	0.8
131.04909	2.2
132.75580	0.9
133.06509	7.9
133.10139	2.2
135.11723	2.6
136.07588	1.9
137.05975	38.1
143.06044	1.1
145.04990	4.5
145.06046	0.7
146.03629	3.4
146.05972	0.9
147.11697	2.9
149.05963	1.8
153.06909	1.0
159.02888	2.8
160.07564	1.6
161.05986	53.4
161.84148	0.7
162.06718	1.4
164.07083	1.0
175.03954	1.4
175.07495	1.5
175.14879	0.9
177.05493	1.0
179.08543	1.0
181.06490	0.8
184.05161	1.8
187.07553	1.3
191.08595	2.3
194.07275	1.3
199.07530	9.6
202.07733	6.1
203.08549	14.1
203.17972	4.3
204.09320	1.2
205.06465	1.8
207.06441	1.9
207.08211	1.3
218.07260	1.3
219.08044	5.1
220.08815	6.0
221.09479	0.9
222.06752	1.7
223.12302	1.0
230.07304	2.2
231.05186	1.6
231.08063	24.7
232.08792	5.8
233.09872	1.1
234.06839	1.7
235.07562	1.0
235.11223	1.7
236.08757	1.3
237.09229	2.9
241.06563	0.9
245.09705	1.9
247.07582	5.9
247.14847	0.8
248.08292	12.8
249.10168	1.3
250.10652	4.3
251.07774	0.8
251.11600	3.3
252.12198	1.8
255.06607	3.2
256.06879	2.5
258.06888	1.4
259.07550	23.2
260.08325	16.2
261.09152	1.2
262.10144	0.9
263.07544	1.1
263.10635	11.8
264.08072	1.4
264.12183	2.2
265.08786	2.5
265.13162	1.3
266.13739	1.0
271.06113	1.6
271.09238	0.8
272.06351	1.7
273.09222	1.5
275.07135	2.6
276.07806	12.7
277.08578	3.9
278.09875	1.4
279.10394	3.2
283.11020	1.0
284.11218	1.3
291.10153	74.4
292.10898	3.4
293.08020	2.8
295.09872	1.0
295.13318	1.9
308.10538	1.6
309.11197	17.5
310.12619	1.9
311.13058	2.3
321.11234	1.1
323.12787	100.0
324.13223	1.8
333.11206	1.7
335.12714	1.5
341.13846	17.4
342.12802	0.8
344.13672	1.2
345.14417	1.8
347.12466	1.4
356.14227	1.7
357.14255	2.3
358.15555	1.5
359.15939	1.4
362.15381	1.1
365.13907	2.4
369.14740	1.1
370.15018	1.6
371.16061	1.9
383.15933	1.2
385.17499	1.1
387.15683	1.5
388.16461	1.0
400.16574	1.2
401.16776	2.9
414.14218	0.8
419.17944	1.1
429.16495	1.1
431.17474	1.0
446.16995	2.9
447.17584	9.5
448.18521	1.3
449.19089	1.1
465.18478	4.1
475.17532	1.4
493.17886	1.2
507.19293	3.2
524.20166	10.1
525.20630	31.9
535.71039	0.9
588.25311	6.8
598.23944	1.6
606.25775	1.7
616.25012	5.4
634.25800	6.4
648.26959	1.1
666.28247	16.6
666.38745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.8
55.01896	1.0
55.05533	1.0
55.89412	0.4
57.03460	0.7
57.50357	0.4
59.05005	4.6
59.38916	0.4
61.47437	0.5
67.05534	1.7
69.03475	1.6
69.07097	1.7
70.06632	1.4
71.56625	0.6
73.02927	0.6
79.05516	1.3
81.03455	2.1
81.07092	1.4
84.08181	0.8
85.02922	3.6
86.09707	0.8
87.00864	0.6
89.06081	1.8
91.05537	1.9
93.07103	0.9
94.06624	0.6
95.05024	0.8
95.08654	1.4
97.02940	1.7
97.06571	0.6
99.04501	0.9
99.95025	0.5
105.01900	0.5
105.07090	1.4
107.04988	1.0
107.08628	1.0
109.02859	2.6
110.03278	0.5
117.09182	1.2
119.04971	1.0
119.08645	0.5
120.04521	0.9
120.08200	0.6
121.10229	0.8
122.06019	3.6
123.04489	0.6
126.05576	0.6
127.03907	3.0
129.10344	0.6
131.08647	0.5
133.08665	1.4
136.07594	1.0
137.02406	1.5
137.06052	1.6
140.07159	1.8
145.02898	0.9
145.04988	0.9
145.06546	0.6
146.06065	1.3
148.07599	0.9
149.06068	0.6
154.05060	1.2
159.11766	0.7
160.07562	1.1
162.09158	0.5
164.07147	0.8
164.10799	0.6
166.08736	0.7
167.06987	2.4
172.03929	0.6
172.07616	0.7
174.05556	1.3
175.07503	0.6
175.13374	0.6
175.14745	0.5
176.07199	0.6
177.05589	1.5
181.06583	0.6
190.05013	0.6
190.76089	0.5
192.10286	0.7
196.07680	0.7
199.07417	2.6
204.06711	0.7
206.08209	0.5
211.08746	1.0
213.10219	1.1
214.08755	1.7
221.10823	0.8
222.11589	0.9
223.08760	1.1
223.12482	0.7
224.09479	0.6
224.13197	0.6
225.10286	2.3
227.07097	1.0
227.11885	0.9
229.09749	0.8
235.08798	1.6
236.09517	1.4
237.10207	3.1
237.13823	0.6
238.11046	1.1
239.11725	2.3
240.08989	0.6
241.09811	0.7
243.11320	0.9
245.08243	0.6
248.09508	1.1
249.10242	11.6
250.11008	3.7
251.08189	2.7
251.11797	8.4
251.14008	0.7
252.12691	1.5
253.09969	1.2
253.13342	2.3
255.06535	45.1
256.07138	1.0
256.09750	0.6
257.09253	0.6
259.10947	0.7
261.10352	1.7
262.11105	0.9
263.11798	6.8
264.12671	1.6
265.09964	0.7
265.13504	4.1
266.10620	0.7
266.14224	1.1
267.11444	1.1
271.06027	8.6
274.10919	0.6
275.11816	1.0
277.09671	0.9
277.13492	0.7
278.10577	1.3
279.11249	2.4
283.10831	3.5
285.12305	0.6
289.09848	0.8
289.13391	1.2
291.11398	1.6
291.14709	0.6
293.12460	0.6
295.10867	1.5
296.11777	1.5
297.12280	2.4
298.13556	0.6
301.13489	0.8
302.10043	0.7
305.12759	0.6
309.12305	5.0
310.13278	1.1
311.13904	3.7
312.15079	0.7
313.12119	0.7
314.13501	0.8
315.11005	0.6
315.14523	0.7
316.14822	0.8
317.12582	0.6
321.12680	0.9
323.10568	1.0
323.14081	0.8
326.13226	0.7
327.14526	1.2
328.14694	0.9
329.16013	0.8
330.12582	2.2
330.16138	1.3
337.11768	1.0
339.13919	0.8
340.14566	1.2
341.12070	0.6
342.12793	1.3
343.13361	1.5
343.17911	1.4
344.14005	2.2
344.18073	0.9
345.14819	2.0
346.15530	0.7
353.15198	0.5
355.13376	0.9
356.13965	3.9
356.17624	0.9
357.14954	1.6
358.15717	2.4
359.16360	0.8
360.17087	1.6
363.13525	0.8
369.14462	4.9
370.15887	1.2
371.16382	2.9
372.13107	0.9
372.17157	1.5
373.14581	1.4
374.14929	1.2
374.19046	0.7
376.15906	2.1
382.15491	2.1
383.13928	2.1
384.13116	1.0
384.17307	1.4
385.14594	0.9
386.14929	2.4
387.15646	2.0
388.16782	1.2
400.16641	7.9
401.14935	1.6
402.18237	2.1
403.16437	3.0
404.16159	1.1
410.14981	0.6
412.16647	0.8
413.15170	0.8
414.14780	0.9
416.16156	1.0
417.15442	0.6
417.24344	0.7
418.17731	3.1
419.16022	1.1
428.15994	3.2
429.16592	1.0
430.17697	2.8
431.15652	0.7
434.17126	1.0
446.17123	16.1
447.10406	0.6
447.17328	4.0
448.18652	4.0
456.15472	1.2
464.18225	10.6
465.19125	0.8
474.17181	3.3
475.16849	0.5
488.18338	1.0
492.17664	2.7
506.19208	6.2
507.18332	1.0
508.20834	1.5
524.20313	100.0
525.20416	2.6
569.23761	1.6
571.25610	1.0
587.25055	9.9
597.23303	1.6
601.25482	0.6
605.26221	5.8
615.24512	4.1
621.30463	0.9
629.15833	0.7
629.25757	1.3
633.25568	11.6
647.26807	1.4
665.28107	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	665.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43312	0.5
55.01874	0.9
55.02500	0.5
56.67653	0.5
56.96555	0.8
57.03439	0.6
59.04999	0.9
62.31137	0.7
67.05500	0.7
69.03411	1.7
69.07053	1.4
70.06592	1.4
71.04980	1.0
75.85761	0.5
77.96931	0.4
79.05482	1.2
81.03410	1.1
81.07047	1.6
83.04994	0.8
84.04536	0.7
84.08136	1.2
85.02911	3.6
86.09714	1.2
91.05489	2.2
93.07072	0.7
93.88716	0.5
94.06571	0.7
95.08594	2.6
97.02875	0.8
98.21520	1.2
99.04454	0.9
105.07030	1.0
107.04897	1.1
107.08615	1.0
108.08118	0.6
109.02910	1.2
109.10166	0.9
110.33885	0.5
119.04942	0.6
119.08554	1.0
119.44498	0.6
120.04487	0.8
121.10150	1.3
122.06047	3.0
124.07531	0.8
126.05534	0.8
127.03937	1.0
133.10139	1.2
137.05933	1.7
140.07054	1.1
146.06013	1.4
147.04494	1.0
148.07639	0.9
153.01811	1.0
154.04953	0.6
160.07588	1.6
163.03940	0.8
164.07051	1.0
166.08669	0.8
167.07085	5.6
173.05951	0.9
174.05472	0.8
181.05005	1.7
181.08690	0.7
192.10138	1.0
204.06656	0.8
206.08202	0.7
208.09781	0.7
209.10739	0.7
211.08730	1.5
213.10269	1.8
214.08611	0.8
219.01852	0.8
221.10709	0.8
223.08734	1.3
223.12444	1.0
224.09424	0.7
225.10316	1.9
227.08128	0.9
227.11867	1.0
235.08701	1.6
236.09497	1.6
237.02869	0.6
237.10178	3.3
239.11824	1.9
241.09816	0.8
243.11249	0.7
247.47571	0.6
248.09428	1.2
249.10205	12.6
250.10944	3.6
251.08118	3.4
251.11768	7.5
252.12573	1.8
253.09741	1.3
253.13425	2.3
255.06564	5.0
255.11359	0.9
259.10873	2.0
261.10233	1.1
262.10986	1.4
263.11816	6.0
264.12573	1.8
265.09756	1.9
265.13391	4.6
267.06564	1.1
267.11255	0.9
271.06046	10.0
271.10699	0.8
273.12369	0.6
273.20432	0.7
275.11911	1.0
277.09851	1.0
278.10446	1.0
279.11298	2.3
281.09329	0.8
283.10669	3.6
285.12381	0.9
289.13330	1.1
291.11273	2.0
291.14450	0.8
293.12848	1.1
295.10886	1.9
296.11481	1.3
297.07526	0.8
297.12277	3.0
301.12140	2.0
302.13147	0.7
303.10971	0.7
309.12418	3.9
310.13199	1.2
311.10580	1.2
311.13995	4.3
313.12549	0.9
315.11200	0.9
316.14584	1.0
317.12756	1.2
319.12881	1.6
323.10272	1.0
323.13992	0.7
327.14835	1.1
328.14636	1.7
328.18329	0.8
329.12045	0.9
330.12360	1.9
330.16064	1.6
331.16959	0.9
337.11801	0.8
339.13620	1.0
341.12155	0.8
342.12619	1.5
343.12991	1.0
344.14120	2.1
345.14877	1.7
355.14471	0.6
356.14029	3.5
356.17722	1.0
357.14969	2.1
358.15714	2.7
360.17148	1.2
362.15091	0.6
363.13229	0.6
368.13965	0.7
369.14560	2.6
370.15921	0.8
371.16226	2.2
372.13107	0.8
372.17267	1.8
373.14417	1.2
374.14691	0.7
374.19113	0.9
382.15558	1.9
383.13519	1.2
384.17154	2.3
385.14517	0.7
386.15106	3.0
387.15579	1.8
388.16592	1.4
400.16629	8.0
401.14435	1.3
402.18106	2.0
403.16382	3.1
404.16132	1.0
415.14426	0.6
417.15802	2.3
417.28223	1.3
418.17694	2.3
419.16013	1.3
428.16251	2.1
429.14822	1.0
430.17670	3.0
432.15485	1.0
434.17270	0.9
435.18066	0.7
446.10986	0.9
446.17181	19.1
447.17459	3.8
448.18890	3.5
456.15656	1.8
464.18289	9.1
474.17169	3.4
475.16678	1.2
476.17993	1.2
492.17749	3.2
506.19250	6.5
507.18112	0.9
508.20758	1.3
524.20325	100.0
525.20319	3.3
569.23926	0.9
579.32880	0.8
587.25049	12.2
597.23663	1.3
605.25830	2.1
615.24585	4.8
621.33868	1.9
629.25867	1.1
633.15802	0.8
633.25549	11.2
647.27344	1.3
665.27881	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	665.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50642	0.7
55.01866	1.1
67.05505	2.0
69.03425	1.3
69.07071	3.8
70.06586	1.9
70.61313	1.5
71.05027	0.8
79.05502	1.4
81.03423	1.9
81.07047	1.0
83.04992	1.1
84.08141	4.0
85.02904	1.5
86.09697	0.9
90.26465	0.6
91.05484	2.7
93.07046	0.8
94.06580	6.3
95.04946	1.3
95.08607	2.0
97.02908	1.5
97.06519	0.8
98.97630	0.9
105.07060	1.2
107.04961	1.1
107.08616	1.1
107.23548	0.8
108.08106	1.4
109.02895	1.0
109.10184	1.3
110.06069	1.1
112.07623	1.8
116.04980	1.4
117.07014	0.8
118.06562	1.1
119.04966	1.0
122.06032	18.2
127.03912	1.7
133.08688	0.8
134.06035	1.7
135.11711	1.3
137.05986	1.1
140.07077	27.2
144.04480	2.4
145.10204	0.9
146.06036	10.9
147.06781	1.0
148.07616	2.0
152.07108	1.6
160.07516	0.8
161.09433	0.7
162.05556	2.0
167.07048	2.2
172.03954	14.9
172.05418	1.0
173.04724	2.0
174.05510	17.0
175.03920	1.5
176.07076	8.9
178.08702	1.2
186.09143	0.8
188.07118	1.0
190.05035	3.0
191.05809	1.4
191.10593	0.7
192.06546	1.8
193.15845	0.9
196.07616	0.8
197.10625	0.8
198.09297	0.8
199.08604	1.4
202.08783	0.9
204.06566	27.8
204.08459	1.5
206.08115	8.8
206.11012	0.7
207.06587	1.4
208.09564	1.4
211.08647	1.8
211.16916	1.7
213.10260	2.8
215.11861	2.6
216.10187	0.9
222.11325	0.8
224.09557	0.8
225.10329	2.1
226.08777	1.2
226.11049	0.9
229.09642	0.9
233.12057	0.8
237.10161	1.4
239.11835	2.5
241.09760	3.1
243.11301	12.4
249.10254	1.4
251.11769	1.5
253.09857	1.5
254.21350	0.9
255.06740	1.1
255.11227	1.0
255.21469	1.8
256.12143	0.9
257.12909	1.1
261.12357	1.7
265.09854	2.4
266.10522	1.5
267.11249	2.5
269.09329	2.1
270.09888	1.1
271.06055	8.3
271.10641	1.5
273.12439	1.1
279.11209	1.3
283.10620	4.8
284.11389	1.6
285.12357	14.5
287.10376	4.0
287.13959	2.6
291.06534	0.8
295.10739	1.2
297.12439	1.3
298.12918	0.9
299.10486	2.7
300.11591	1.2
301.11929	1.8
302.12994	1.3
303.13409	29.6
304.14398	1.3
305.08521	0.8
309.07892	0.9
313.11826	29.9
314.12772	1.1
316.11005	1.6
316.14487	1.9
317.11871	1.0
317.15363	1.4
318.16034	2.4
319.16949	1.9
323.10153	1.1
329.11624	0.9
330.12665	2.2
331.13000	6.6
331.16635	1.4
332.13962	1.5
332.17654	1.7
343.13693	1.3
344.14154	2.1
345.14490	21.2
346.15469	4.3
347.16379	3.3
348.17273	0.9
358.11703	1.5
358.15692	2.5
359.12564	1.0
359.16479	1.1
360.17126	3.2
361.15195	1.0
363.15677	1.1
368.13998	1.1
370.15707	1.1
371.12845	2.1
372.13321	6.3
372.17358	1.0
373.14243	3.5
374.14902	4.1
376.16840	1.5
381.10934	0.8
385.14603	1.8
386.15033	8.7
387.15945	6.7
388.16690	5.1
398.14899	0.9
400.12436	1.1
400.17010	1.6
401.17957	0.8
402.14188	1.8
402.18732	1.5
404.16040	3.0
405.16965	2.4
406.17630	5.1
414.14587	7.4
415.15344	15.4
416.16083	18.5
417.16037	1.4
417.33041	1.2
418.17783	1.8
419.18356	0.7
423.10507	0.9
428.16281	2.6
429.16910	1.5
430.17493	4.2
431.18787	1.0
432.15747	2.4
433.16431	3.7
434.17252	4.0
446.17252	6.9
447.17877	3.1
456.15558	3.4
460.14636	1.2
474.16656	20.2
475.17389	7.8
476.18250	4.4
506.19489	5.5
507.19836	1.2
524.20575	5.2
571.25287	1.8
573.23309	2.0
597.23254	4.6
615.24500	100.0
616.24487	3.0
633.25220	1.1
647.27289	6.9
665.28522	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	665.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05302	1.1
67.05644	1.3
69.03568	1.4
69.06885	0.7
69.07198	1.1
70.06709	0.8
70.24108	0.6
73.02689	0.7
73.03049	1.1
73.54428	0.5
79.05231	0.7
79.05627	1.2
81.03149	1.3
81.03594	1.6
81.06834	0.6
81.07218	1.1
83.05128	0.9
84.08276	0.6
85.02559	1.3
85.03114	2.8
91.05162	1.3
91.05682	1.7
91.17638	0.6
93.07217	1.3
94.06744	1.3
95.05146	0.7
95.08842	2.4
97.03121	2.5
97.84461	0.6
98.20601	1.1
98.97753	1.0
99.04664	0.8
105.07271	2.1
107.05180	1.9
107.08778	0.9
108.08314	1.1
109.03107	1.8
109.10345	0.8
110.06295	0.7
111.78173	0.6
115.05654	1.4
119.05138	1.0
119.08765	1.1
120.04701	0.7
120.08324	1.4
121.10332	1.3
122.06301	3.6
124.07796	1.2
127.04182	3.1
131.08736	0.7
132.08331	0.9
133.06679	1.0
133.10350	1.0
136.06850	0.7
136.07805	1.6
137.05135	0.9
137.06264	6.4
140.06325	0.7
140.07321	1.8
145.05176	0.9
145.06750	0.8
145.10274	1.0
146.05223	0.8
146.06253	1.9
147.04613	1.5
147.07089	0.6
147.11949	0.9
150.05634	0.8
151.04205	0.7
151.07768	0.7
153.27640	0.6
154.05232	1.5
160.07864	1.7
161.06296	6.9
162.09381	1.3
163.04150	1.1
164.06081	0.7
164.07260	1.4
164.10968	1.5
166.09003	0.8
167.07350	2.5
170.09796	0.7
172.04144	1.5
174.05711	1.0
174.09341	0.8
175.04115	0.8
175.08949	1.3
176.07318	0.7
177.05736	1.1
178.08852	0.7
188.07269	1.0
190.05177	1.0
190.08969	0.8
192.10260	3.1
199.07712	1.5
203.08835	1.1
204.06839	1.5
207.06927	2.2
208.10048	1.4
209.11192	0.6
211.09036	1.9
213.10265	2.9
215.12231	0.8
221.11063	1.3
223.08943	1.1
223.12555	1.2
225.10583	2.4
226.11156	0.6
227.08461	1.5
227.12050	1.4
229.10593	0.8
231.05269	0.6
231.06146	0.7
231.08139	3.4
234.11850	0.8
235.08987	2.4
235.12654	0.8
236.09700	1.4
237.10312	2.9
238.11186	1.2
239.12157	1.6
241.10034	0.8
242.08421	0.8
243.11644	1.5
247.07979	1.0
248.09540	1.9
249.10233	15.3
250.11014	5.2
251.08496	2.2
251.11864	11.9
252.09439	1.0
252.12834	1.8
253.10011	1.4
253.13399	3.0
255.06528	11.5
255.11559	1.2
257.09360	0.7
259.07953	3.0
259.11075	2.0
260.08817	2.2
261.10437	1.7
262.11295	0.8
263.11841	9.4
264.12869	2.8
265.10010	2.7
265.13712	5.8
266.10806	1.0
266.14380	1.2
267.11584	1.5
269.09366	0.8
269.13217	1.0
271.06021	9.7
271.10934	0.9
272.06610	0.9
273.12802	2.3
275.12155	1.8
276.08374	1.2
276.12546	0.9
277.10004	2.0
277.13742	0.9
278.10580	1.5
279.11374	3.7
281.09488	1.0
281.12997	1.2
283.10822	3.2
285.09451	0.7
285.12714	2.3
289.13608	0.7
291.10135	8.6
291.15118	0.7
293.09534	0.7
293.13092	1.4
295.11017	1.5
296.11926	1.4
297.12225	3.1
298.13654	0.8
299.14468	0.8
301.12381	0.8
302.13492	1.0
303.10873	0.8
303.14050	1.5
305.09467	0.7
305.13025	0.7
308.11044	0.9
309.12244	6.3
310.13419	1.9
311.10831	0.9
311.13815	3.0
313.12601	1.2
314.13422	1.1
316.11392	0.7
316.14838	1.3
319.13138	1.4
320.14542	0.7
321.12494	0.7
323.12909	12.1
325.12030	1.1
327.14334	1.1
328.14639	1.4
329.12039	1.1
330.12762	3.7
330.16467	1.8
331.13766	1.0
332.17984	0.7
334.15701	0.7
337.11942	1.2
339.13895	1.5
340.14905	1.1
341.14197	2.2
342.12390	2.9
342.16284	1.1
343.13461	1.5
344.14227	3.7
344.17908	1.2
345.14987	3.1
346.15628	1.4
347.13150	0.8
353.15326	0.8
354.16406	1.4
355.14035	1.9
356.14090	5.0
356.17755	1.1
357.15384	2.7
358.12012	0.7
358.15662	4.0
360.13367	1.0
360.17322	2.4
362.15384	1.3
363.13690	1.1
368.14383	0.7
369.14725	5.4
370.15820	1.5
371.16492	2.5
372.13303	1.2
372.17358	2.7
373.14822	1.4
374.15207	1.4
382.15823	2.2
383.16187	1.0
384.13129	1.0
384.17560	3.6
385.14514	1.1
386.14935	3.6
387.16116	3.0
388.16803	1.4
399.15930	1.0
400.16678	11.3
401.14648	2.5
402.14056	1.3
402.18521	1.8
403.16876	2.6
404.16315	1.3
406.18005	0.8
415.15698	1.1
416.16254	1.0
418.17841	4.7
419.16473	1.4
428.16129	5.0
429.16440	1.5
430.17654	3.6
431.15109	0.9
432.15616	1.7
433.17163	0.9
434.17365	1.6
435.18414	1.2
446.17133	22.9
447.17749	4.9
448.18991	4.8
456.15814	2.5
458.17453	1.2
464.18219	12.4
465.18918	1.2
474.16556	7.4
475.17072	0.8
476.18237	1.0
488.17926	1.0
490.19968	2.1
492.17581	5.5
506.19247	13.5
507.18066	2.1
508.20740	3.0
524.20313	100.0
525.20660	2.3
569.24005	1.8
571.25653	1.0
579.33014	1.3
587.25006	13.1
597.23724	3.7
605.25726	3.3
615.24683	13.0
621.34113	2.3
629.25793	1.8
633.25458	14.2
647.26685	2.1
665.27850	41.3
666.28290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77088	0.1
55.33524	0.1
59.75460	0.1
61.02916	0.3
62.37464	0.1
67.01864	0.6
68.99812	0.3
69.03436	0.1
71.01358	0.5
71.05193	0.2
73.02901	0.1
73.61148	0.1
85.02908	1.7
88.44009	0.1
91.05470	0.3
95.01334	0.1
96.99927	0.1
97.02902	0.3
99.00826	0.2
113.02377	0.6
117.85786	0.1
119.04942	1.4
121.02840	0.6
127.03921	0.2
131.03415	0.1
141.01778	0.5
145.02812	0.7
153.01833	4.5
159.02896	0.4
163.03944	0.5
171.02879	0.3
187.03955	0.2
203.07091	0.1
219.04977	0.3
225.05484	0.4
229.04926	0.3
237.59323	0.1
239.49159	0.1
243.06448	0.3
247.05942	0.1
255.06703	0.1
256.36166	0.1
259.19632	0.1
271.06015	100.0
272.06320	1.0
275.56769	0.1
283.06006	0.4
313.07028	0.2
411.06931	0.1
447.03021	0.2
447.09241	4.2
471.09076	0.1
601.02020	0.1
665.13373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85519	0.1
61.02909	0.4
61.37094	0.1
65.03925	0.1
67.01859	0.5
68.99809	0.3
69.03415	0.2
70.06587	0.5
70.83433	0.1
71.01362	0.5
71.56615	0.1
71.56974	0.1
72.08151	0.1
81.03402	0.1
84.04515	0.1
84.08129	0.2
85.02908	2.3
86.09692	0.1
91.05479	0.5
95.01313	0.1
97.02887	0.6
97.06512	0.1
99.00799	0.1
100.94005	0.1
109.31696	0.1
111.49111	0.1
113.02411	0.5
117.03396	0.1
119.04961	1.8
121.02865	0.9
127.03916	0.3
129.01886	0.1
129.10287	0.1
131.03404	0.2
131.04915	0.1
136.06230	0.2
137.05974	0.5
140.53415	0.1
141.01805	0.4
145.02866	0.9
147.04411	0.1
151.07542	0.2
153.01839	4.0
159.02982	0.5
161.05975	0.1
163.03902	0.5
171.02902	0.6
173.04471	0.3
175.07460	0.2
192.10190	0.8
203.07069	0.1
219.01794	0.2
219.05034	0.4
223.12099	0.2
225.05420	0.4
229.04999	0.4
237.02808	0.2
243.06422	0.3
247.06175	0.1
254.05725	0.1
255.06543	0.3
268.13403	0.2
270.04987	0.2
271.06021	100.0
272.06320	1.2
283.05942	0.5
295.06046	0.4
300.15939	0.3
301.16888	0.2
309.07697	0.2
313.07141	0.2
321.07590	0.2
322.04703	0.2
330.17032	1.6
337.06964	0.2
393.06113	0.1
403.08191	0.1
429.08151	0.1
447.03070	0.2
447.09283	4.0
505.02954	0.1
569.08746	0.1
629.12567	0.1
647.12366	0.1
665.13184	1.1
665.23535	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85042	0.6
55.05503	5.9
57.03184	1.1
57.03437	9.6
57.06793	1.3
57.07074	20.4
59.04987	3.7
61.02925	3.5
65.03928	0.7
67.05505	55.0
69.03407	1.0
69.07081	4.0
69.54031	1.8
69.54446	3.0
71.04979	2.2
71.08632	15.3
73.02916	1.3
79.05483	1.5
81.07056	13.9
83.08621	9.1
85.02893	3.9
85.06515	2.5
85.10193	8.6
87.04462	1.4
89.06010	1.7
91.03938	1.5
91.05476	3.3
93.07040	2.7
95.07987	0.7
95.08603	14.9
97.02858	1.4
97.10154	2.9
99.08078	1.0
107.08587	1.7
107.27973	0.7
109.10156	55.6
111.08064	1.5
111.11713	0.8
119.08586	3.6
123.11718	1.4
135.18863	0.7
137.09587	3.0
151.03938	0.8
155.06898	0.8
155.10675	5.3
164.90912	0.7
173.11729	15.7
203.20340	0.7
229.14352	100.0
230.14528	0.9
257.24789	1.7
293.36243	0.7
313.27359	82.9
314.27609	1.1
318.64639	0.7
368.69351	0.7
467.37314	63.8
468.37674	0.9
624.91168	0.8
664.44812	4.7
665.44452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
54.12061	3.7
55.01877	10.2
55.05515	34.7
55.91354	3.4
57.03437	12.8
57.07067	11.4
67.05173	6.8
67.05508	91.8
69.07070	47.1
70.67683	11.2
71.04988	6.1
71.08640	5.2
79.05499	56.2
81.07064	100.0
83.04983	4.7
83.08615	20.3
85.06545	4.3
91.05479	48.0
93.07041	58.1
94.36026	4.1
95.04992	5.5
95.08611	70.2
97.06525	12.8
97.10168	16.8
99.08092	6.9
105.07034	47.0
107.08601	37.9
109.06596	3.9
109.10161	29.9
111.52431	4.1
117.07019	17.2
119.08588	33.3
121.10107	20.5
123.08083	6.2
123.11748	7.6
125.09642	8.4
129.06931	4.2
131.08568	18.3
133.10143	21.5
135.08080	5.1
135.11711	11.4
143.08583	9.8
145.10114	23.1
147.11691	16.1
149.09621	10.2
149.13235	5.4
159.11668	21.4
161.13261	5.3
163.11134	5.8
173.11856	5.3
173.13249	6.3
177.12796	4.5
185.13249	9.1
189.11217	6.4
192.52005	4.6
203.14313	4.1
227.12791	26.2
229.14368	6.6
239.08102	4.4
239.17944	8.2
257.19073	9.2
267.15903	5.7
275.20062	29.4
277.21497	6.3
283.58035	3.9
294.01694	4.4
327.07584	4.4
331.22787	3.7
335.25778	7.3
337.27426	72.0
337.31250	7.8
349.23746	25.1
351.25256	5.6
383.14206	5.4
384.13629	4.7
427.93542	4.1
491.37256	14.8
521.38397	9.6
529.38885	11.5
608.39227	5.8
611.46777	31.4
628.48773	4.5
650.92499	3.9
664.47797	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	663.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
57.07089	0.3
67.05508	0.9
68.24757	0.2
71.06007	0.4
71.08634	0.3
79.05495	0.4
81.07060	0.8
87.04471	1.1
91.05465	0.4
93.07057	0.5
95.08619	0.4
95.92569	0.2
98.21156	0.2
100.36831	0.2
107.08608	0.4
108.58691	0.3
109.10147	0.4
116.15703	0.2
133.10109	0.2
147.11731	0.3
166.91216	0.2
195.91312	0.2
227.12773	0.2
229.14409	0.3
277.21658	0.4
320.77039	0.2
343.49304	0.3
545.39056	0.3
663.46564	100.0
664.47144	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	663.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	0.5
64.30898	0.3
67.05492	0.7
70.03578	0.5
70.03994	0.9
72.70615	0.3
79.05480	0.5
81.07039	0.6
87.04452	1.5
92.24226	0.3
93.07062	0.4
95.08591	0.6
120.70102	0.3
145.10147	0.3
196.40726	0.3
246.95694	0.3
253.67062	0.4
284.47968	0.3
291.74469	0.3
497.71570	0.3
507.82281	0.4
527.50165	0.3
540.20959	0.4
663.46570	100.0
664.47351	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	663.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72411	0.2
53.08743	0.2
53.10873	0.2
60.02797	0.2
61.02916	0.3
67.05501	0.4
70.84100	0.4
70.84483	0.4
81.03426	0.3
81.07041	0.4
85.02910	0.6
91.03974	0.2
91.05486	0.4
93.07070	0.4
95.04945	0.2
103.51283	0.2
105.07024	0.2
107.08579	0.2
117.07056	0.2
123.08163	0.2
127.03998	0.2
136.13934	0.2
149.02431	0.6
149.52039	0.2
174.47438	0.2
185.04272	0.4
193.04965	0.4
193.81535	0.2
203.05290	0.3
237.36955	0.2
243.08414	1.0
253.40628	0.2
266.86783	0.2
326.74655	0.2
413.17789	0.8
427.24506	0.4
430.12283	0.3
436.95163	0.2
445.25562	2.7
459.15179	0.3
473.29208	0.3
474.15430	0.2
491.22586	0.7
501.28281	2.7
561.22083	0.9
577.35645	0.3
619.36438	1.2
621.24011	1.2
635.33960	0.7
645.32416	0.2
663.33557	100.0
664.34082	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	663.454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.8
55.86345	0.4
57.07080	47.6
59.01510	0.3
69.07030	0.7
71.48056	0.7
72.29892	0.4
73.43840	0.4
77.03978	0.7
81.07011	0.5
87.04424	1.2
87.66624	0.5
91.05491	6.1
95.04946	0.6
95.08566	0.5
105.06992	1.8
119.08546	1.4
131.08517	0.6
132.09312	0.9
147.10641	0.6
147.11693	7.3
152.06232	0.6
153.06990	2.8
167.62651	0.4
171.08022	0.5
175.01508	0.6
228.09343	0.8
229.10083	1.3
233.03625	5.6
251.04695	15.8
267.94937	0.5
279.95523	0.5
307.10779	1.9
321.84360	0.5
327.07813	100.0
328.08176	1.3
354.11563	0.4
383.14075	70.4
384.14581	0.8
439.20364	72.9
440.20554	1.5
495.26614	61.7
496.26883	0.6
551.32892	82.6
552.32849	1.7
587.73340	0.4
606.28918	0.5
607.39136	71.2
608.39374	1.6
663.45380	18.4
664.45203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17677	0.3
56.96573	0.3
67.05494	0.3
70.06567	0.5
75.04450	0.3
84.62179	0.3
86.09663	0.3
86.81375	0.2
91.05466	1.1
97.06535	0.3
98.97591	0.3
104.02052	0.3
150.06737	0.5
151.07520	0.3
165.09081	1.1
175.07564	0.3
176.07045	0.6
177.05490	0.5
178.08621	1.1
179.08612	0.9
190.07755	0.4
191.08568	0.5
202.07872	0.3
203.08549	0.6
205.10184	0.4
206.09647	0.7
207.08102	1.5
207.09898	0.3
208.11180	0.5
209.08374	0.9
210.09158	1.6
214.08708	0.3
218.07346	1.5
219.08041	1.6
219.10289	0.4
220.11209	0.6
221.06160	0.3
221.09644	1.2
221.11772	0.4
222.10460	0.5
222.12631	0.4
223.07796	0.3
223.09933	0.8
224.10718	1.1
233.09552	0.6
234.10677	3.6
235.07587	4.1
235.09772	0.5
236.08426	0.6
236.10706	7.5
237.11473	0.9
238.08530	2.1
238.12241	7.6
238.14551	0.5
240.10127	0.5
242.11629	0.3
243.12410	0.3
248.10764	0.6
249.11464	0.6
250.09859	10.3
250.12294	8.7
251.13051	13.1
252.10205	5.1
253.10913	4.3
254.11682	0.4
264.10156	2.1
265.12314	5.1
266.11761	30.3
267.12537	8.0
280.13245	2.9
281.14096	0.5
282.14877	100.0
283.15219	1.2
314.17487	95.0
315.17847	1.0
330.16943	0.8
339.41394	0.3
357.02945	0.3
371.04254	0.5
381.02856	0.5
387.03729	0.5
393.02823	0.3
399.04028	0.6
401.05481	0.4
411.03864	0.8
423.03961	0.8
429.05020	0.7
441.05087	1.2
453.04935	0.3
513.06805	0.4
543.08002	0.8
655.96234	0.3
666.76581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.9
55.05511	27.4
57.03423	11.9
57.07068	14.3
67.05509	100.0
69.07063	36.1
69.50990	14.6
69.51409	16.3
71.08654	5.8
75.41710	4.3
78.53915	4.5
79.05496	81.4
81.07061	98.8
83.04980	6.6
83.08615	13.4
87.04467	62.1
91.05471	55.0
93.07046	78.0
95.04965	8.6
95.08612	53.9
95.19627	5.1
97.06516	7.5
97.10133	5.3
98.20725	5.2
105.07030	45.1
107.04986	4.7
107.08581	48.1
109.06550	6.0
109.10164	20.0
111.08105	7.2
117.07035	18.5
118.05085	4.5
119.08577	27.2
121.10141	24.7
126.62875	5.3
129.07014	5.9
131.08580	26.8
133.10138	19.5
135.11696	24.8
143.08569	6.2
145.10138	13.3
147.11732	12.1
149.13248	10.7
159.11707	14.8
161.13245	11.9
171.11665	5.0
173.11766	5.1
173.13229	8.7
175.14761	5.3
183.11739	7.0
185.13217	5.2
192.60861	4.9
199.14761	5.2
231.53909	5.5
250.92181	4.7
255.16084	6.7
257.19241	8.0
261.22110	8.5
269.17496	16.9
275.20050	16.6
277.21503	6.8
309.20560	5.9
314.64996	6.3
335.25781	68.4
349.23764	20.6
515.37207	16.5
529.32654	5.5
529.38971	58.0
609.45233	11.4
627.45947	11.8
662.45099	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	662.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.2
55.01861	2.5
55.05266	3.0
55.05514	45.7
57.03441	21.5
57.07069	7.5
59.04986	2.1
61.21085	1.7
63.41710	1.7
65.03936	6.2
67.05506	99.7
69.03436	2.0
69.07069	43.7
70.94366	4.2
71.04990	4.2
71.08635	2.4
77.03912	2.3
79.05497	90.8
79.84077	1.9
81.03426	3.8
81.07060	100.0
83.04983	7.5
83.08630	16.4
85.06541	8.3
85.10185	2.4
87.04464	15.4
87.08604	1.8
91.05481	68.7
93.07048	80.7
95.04976	10.6
95.08611	70.2
97.06534	11.9
97.10174	22.1
99.08090	4.2
101.05958	2.0
105.04529	4.8
105.07037	59.8
107.04952	6.6
107.08599	54.4
109.06496	5.2
109.10156	26.2
111.08063	5.4
113.09614	2.1
115.05430	3.4
117.07029	28.2
119.07791	3.5
119.08590	45.0
121.06531	1.9
121.10146	30.7
123.08060	4.6
123.11699	8.9
125.09628	13.6
128.06238	4.1
129.07010	14.1
130.07782	2.4
131.08569	29.4
133.10143	34.5
133.11075	3.1
135.08087	2.3
135.11719	19.0
137.09608	3.3
137.13297	2.3
141.06985	3.4
142.07803	2.1
143.08580	10.0
144.09369	2.9
145.10126	26.2
147.11705	24.0
149.09599	11.2
149.13258	10.4
151.11151	2.7
155.08551	4.7
157.10107	11.3
159.11679	23.9
161.09674	2.7
161.13268	7.1
163.11171	5.2
163.14871	3.4
165.12775	2.5
169.10133	5.2
171.11682	8.0
173.11844	3.4
173.13272	10.7
175.14812	3.5
179.14328	4.3
183.11703	4.1
185.13275	13.1
187.14825	6.6
189.11226	8.2
189.12758	1.9
197.13274	4.3
199.14775	3.7
203.14348	7.3
205.12610	2.0
219.17511	7.8
227.12784	36.2
229.14301	2.8
229.19461	3.6
239.18042	9.7
241.19479	3.2
243.20840	3.1
247.20638	2.3
255.15787	2.3
257.19003	23.1
259.20685	2.5
261.22180	14.8
267.16010	2.6
275.20078	50.0
277.21683	2.6
293.21048	4.6
317.24655	2.6
331.22650	6.4
333.24094	4.6
335.25800	95.9
349.23694	51.4
408.15823	2.0
431.31665	4.3
489.35352	9.3
505.34967	8.7
513.39569	4.1
515.37140	5.8
529.38733	6.1
535.41766	2.4
546.41620	5.9
555.40369	3.0
565.45209	2.0
598.11987	2.2
609.45160	52.3
626.47369	3.6
627.46106	4.1
662.46594	15.5
663.48047	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	662.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26991	0.4
58.06584	0.5
58.23885	0.4
63.36208	0.4
70.06582	0.4
71.56992	0.4
73.54434	0.4
80.76138	0.4
82.45441	0.3
83.30011	0.4
85.02940	0.5
87.22384	0.4
91.05467	1.6
98.97573	1.3
130.06461	0.5
137.05966	0.5
151.07513	1.4
155.66144	0.4
164.07123	0.5
165.07027	0.8
177.05530	0.4
179.08563	1.4
190.07735	0.9
191.08577	8.1
193.08899	1.0
194.07353	0.4
196.07594	0.5
196.11253	1.1
197.12129	0.8
207.08060	1.1
208.09065	0.8
208.11182	4.0
210.09071	1.9
213.07886	0.5
218.07280	1.1
219.08064	9.3
220.08849	0.4
222.09142	0.5
224.07094	2.4
224.10680	5.7
225.07988	0.5
225.11462	5.7
226.08676	0.5
235.07613	0.6
235.09880	0.6
236.08342	4.1
236.10724	9.7
237.11391	1.3
238.08649	6.5
239.09433	1.2
246.04459	0.9
251.10995	5.2
252.10229	6.2
253.10991	26.2
264.05316	0.8
266.11761	3.3
268.13333	94.3
269.13809	1.2
288.47778	0.5
300.15958	100.0
300.93890	0.4
301.16281	1.1
550.20972	0.4
575.03009	0.4
590.84875	0.4
607.71710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.2
56.96538	1.4
61.02917	1.0
67.05489	2.6
69.00525	1.0
69.03395	1.5
69.07055	1.3
71.55191	1.2
75.91500	1.1
77.59269	0.9
79.05470	1.4
80.41997	1.0
81.03403	1.5
81.07043	2.1
83.08536	1.2
85.02884	1.7
91.05431	2.2
93.06991	2.0
95.08578	1.6
107.08560	1.6
116.08987	1.2
130.06520	1.1
133.10130	1.7
137.05951	1.4
145.04907	1.2
147.11618	1.1
147.40779	1.1
163.11044	1.2
164.06995	1.2
390.17886	1.3
401.15854	1.4
413.15735	1.3
429.15320	8.4
430.16235	2.9
431.17197	6.4
435.17984	1.3
441.15167	2.1
442.16739	1.2
443.17380	2.4
444.18289	11.0
445.18515	4.0
447.16202	1.5
454.16034	4.3
455.16919	3.6
456.17633	3.2
457.14444	16.5
458.14804	1.3
467.16824	1.9
468.17505	1.9
469.19101	4.6
471.16199	8.6
472.17410	28.3
473.17810	3.8
474.18478	1.3
482.15536	1.4
483.16208	1.5
495.23529	1.2
496.17209	2.1
497.18414	9.3
498.18246	1.4
500.16531	3.9
501.17313	1.7
515.19098	4.6
516.19550	3.0
524.16858	1.5
530.21472	2.5
531.22363	9.0
556.19440	7.2
559.21936	71.6
560.21979	2.6
569.19714	1.6
587.21387	4.6
617.34174	1.3
619.24023	94.4
620.24530	4.5
629.22449	15.6
643.23846	1.6
661.24255	100.0
662.24585	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	661.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.05501	2.2
57.07054	0.7
61.02922	0.8
67.05492	2.4
69.03421	1.2
69.07061	2.4
70.26876	2.5
72.93907	0.6
73.02909	1.2
79.05490	3.2
81.07058	4.5
83.04973	1.3
83.08626	2.3
85.02908	2.1
89.06056	1.1
91.03947	1.0
91.05489	1.5
93.07043	2.5
95.08632	1.9
99.08140	0.6
105.07035	1.5
107.08614	1.5
109.02914	0.8
109.10150	0.8
119.08600	1.4
121.06519	0.8
121.10151	1.5
126.16053	0.6
127.03965	0.9
131.08583	1.4
133.08597	0.9
156.52821	0.7
157.30339	0.7
223.71640	0.7
243.08495	0.9
267.16003	0.8
269.17331	0.8
270.17996	0.8
285.17007	0.8
443.24051	4.8
446.29883	1.1
463.30765	2.4
464.30838	6.0
481.31775	1.0
499.26556	4.4
551.14447	0.7
617.32800	0.9
631.33020	0.7
633.31940	1.4
661.31946	100.0
662.32068	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	660.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05511	2.9
57.03454	0.7
57.07079	44.3
59.05006	17.0
59.05232	0.3
64.65170	0.5
67.05509	3.7
68.05865	0.6
69.03436	0.6
69.07064	3.7
70.60404	1.1
70.60742	0.9
71.08636	78.0
73.02924	0.8
73.06567	4.3
79.05494	2.8
81.07063	3.3
82.07390	0.7
83.08614	2.1
85.06531	0.6
85.10187	43.0
87.04478	13.5
87.04895	0.4
89.06037	100.0
91.05504	2.8
91.07599	0.9
93.07060	3.2
95.08590	2.6
97.06534	1.3
97.10162	1.2
103.07585	6.3
105.07019	2.6
106.07326	0.7
107.04951	1.2
107.07080	1.8
107.08611	2.0
108.08949	0.9
109.10124	0.7
117.09147	3.5
119.08572	1.4
121.06488	0.7
121.10153	1.2
127.02658	0.5
127.14821	4.3
129.09132	0.8
130.08650	2.5
131.07068	5.3
131.08606	0.9
131.10739	0.8
133.08611	75.3
135.08067	0.7
135.11627	0.7
141.16406	0.7
145.10097	1.4
147.11699	0.7
149.09602	0.9
150.58376	0.7
159.11711	1.0
161.11766	1.2
173.13222	0.6
175.09666	6.6
175.13257	0.7
177.11234	33.7
185.19031	6.7
210.39845	0.5
219.12238	2.0
221.13840	7.9
229.21613	5.9
239.14850	1.9
265.16461	2.4
275.20020	1.9
276.20404	1.5
283.17426	2.2
307.99301	0.6
309.18848	1.2
327.20108	1.1
349.23752	0.8
350.24133	1.1
353.21729	1.2
371.22626	1.0
415.25104	2.4
441.26968	0.9
459.27979	11.4
499.31088	2.1
503.31030	0.6
624.42743	1.1
642.43774	0.9
643.46783	3.0
660.38757	0.8
660.48914	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	660.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53331	0.6
53.03947	2.0
55.01870	3.0
55.05264	0.9
55.05516	13.7
55.05780	0.7
56.05057	0.8
56.96578	1.0
57.03435	2.3
57.07081	14.1
59.05005	2.4
61.02926	2.2
61.78701	0.5
65.03976	0.7
67.05505	4.6
68.99789	0.8
69.03436	8.2
69.07072	100.0
70.06611	0.8
71.05000	1.4
71.56802	0.9
72.08160	0.7
73.02930	1.7
79.05503	1.8
81.03422	8.6
81.07059	4.4
83.04975	1.3
83.08625	42.7
85.02425	1.1
85.02914	18.0
85.06553	0.8
87.00842	5.9
87.04483	1.7
89.06036	30.8
91.03974	1.5
91.05486	2.0
93.07036	1.6
95.04978	1.2
95.08624	2.7
97.02905	7.6
97.06535	0.9
97.10188	1.6
98.97599	2.1
99.04468	4.1
99.08119	0.7
103.03977	0.7
103.07594	1.6
104.20201	0.5
105.01851	4.0
105.07034	1.8
107.07097	1.6
107.08563	1.1
109.02895	9.2
109.10162	1.1
111.04450	2.5
117.01866	1.0
119.04893	0.9
119.08542	0.6
121.06521	0.9
121.10200	1.0
122.06061	0.8
123.08057	0.6
123.11639	0.7
125.13270	5.5
127.03931	11.6
129.01839	1.4
131.07063	1.4
131.08594	0.8
133.06544	0.6
133.08611	13.9
133.10135	0.7
137.05994	1.8
143.14323	18.3
145.04967	3.4
146.78026	0.5
147.04440	0.7
149.11798	0.9
151.09692	1.3
158.99683	0.8
159.02866	3.1
161.15393	2.4
164.07127	1.6
165.09126	0.7
167.07068	1.3
177.11230	24.5
184.07306	0.9
190.02982	0.6
195.10486	1.1
195.12294	21.3
201.18510	7.9
207.06552	0.9
213.03935	1.3
216.07584	0.7
231.05040	0.8
235.15399	9.5
239.14949	2.4
243.11530	0.7
245.21150	3.6
253.16554	2.3
289.45569	0.6
313.11600	0.7
325.98520	0.6
339.13330	0.7
377.28952	3.9
389.14938	0.8
395.30051	86.4
396.30225	1.1
399.15741	2.8
642.37598	0.8
660.36407	1.6
661.20642	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01863	0.9
55.05520	5.8
57.03444	4.4
57.07076	1.3
61.02929	2.5
65.03933	0.9
67.05511	24.7
69.03421	0.8
69.06728	0.6
69.07078	8.8
71.04999	1.9
71.08629	0.6
73.02911	0.7
79.05501	13.6
81.03434	2.0
81.07066	31.4
83.04980	2.2
83.08147	0.4
83.08627	7.9
85.02908	3.2
85.06542	2.2
87.04484	0.4
89.06047	1.4
91.03949	1.2
91.05489	9.6
93.07056	22.6
95.04984	1.9
95.08617	8.8
97.02910	1.3
97.06541	4.8
97.10197	1.9
99.04452	0.4
99.08102	1.1
105.04505	0.4
105.07040	5.2
107.04967	0.7
107.08604	12.6
109.02867	0.4
109.06536	0.7
109.10176	2.0
111.08089	2.8
111.11729	0.5
113.06039	0.4
115.39282	0.3
117.07029	4.6
119.08584	2.9
121.06541	1.5
121.10155	7.4
123.08068	0.7
123.11691	2.2
125.09637	0.4
126.44591	0.3
127.03928	0.4
128.06155	0.3
129.07014	1.8
131.08583	6.3
133.08609	1.0
133.10146	6.4
135.08081	1.0
135.11710	4.2
137.06026	0.3
137.09683	0.3
139.11180	0.3
141.06995	0.7
143.08609	1.4
145.10176	1.8
147.08012	0.3
147.11679	1.0
149.09634	0.7
149.13275	11.4
151.11157	0.8
155.08569	1.1
157.10165	1.1
159.11710	5.3
161.09583	0.5
164.06981	0.3
167.14282	0.4
169.10179	0.6
171.11688	0.8
173.13177	0.4
177.11330	0.5
177.12720	2.5
181.10178	0.4
183.11768	0.5
185.13289	0.6
187.14830	0.3
195.11981	0.5
195.13818	6.6
197.13293	0.4
199.14891	0.3
209.13226	0.4
211.14786	0.3
213.14919	0.9
217.15834	0.3
223.14851	0.4
225.16306	0.3
251.16490	1.5
261.18582	0.3
262.38095	0.3
269.17502	25.5
271.95343	0.3
335.23770	0.4
343.26434	0.6
353.24658	1.9
371.25986	1.2
389.26935	0.8
395.20248	0.3
413.21872	0.8
427.28436	0.9
445.29553	13.2
463.30594	100.0
464.30920	1.9
481.31528	1.5
510.41339	0.3
607.34729	3.2
660.45209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78453	1.2
52.98549	1.2
55.05504	2.5
55.98389	1.1
57.03439	3.7
57.07079	100.0
58.04221	7.6
59.05005	39.7
60.04520	1.1
64.92031	1.0
67.05508	4.3
69.07063	4.7
69.19612	12.2
71.04991	2.1
71.08636	68.2
72.05778	9.6
73.02920	6.3
73.06557	10.5
79.05470	1.5
81.07056	5.2
83.08620	3.9
85.10188	60.5
86.07309	2.9
87.04475	16.2
87.08112	3.4
88.05264	1.4
89.06036	15.2
89.35326	1.3
90.01920	31.8
91.05489	1.4
93.07039	2.1
95.08610	2.4
96.09363	1.3
97.10147	3.0
98.76849	1.0
99.11747	9.2
100.08881	1.9
101.06030	2.5
101.09674	1.8
103.07591	8.6
107.08599	1.2
109.10176	2.2
113.13305	3.2
115.07568	2.8
116.08347	4.2
117.09133	14.6
120.43848	1.1
131.20537	1.1
133.08606	9.1
135.10220	1.5
136.06158	1.4
141.21202	1.1
147.10196	2.1
152.15633	3.5
155.17949	8.3
161.11674	2.8
172.89909	1.1
177.11232	3.1
178.07143	4.2
179.12772	2.4
183.17442	3.5
193.14391	1.2
194.13911	1.4
208.15471	1.7
209.13744	2.0
213.22148	12.7
222.09692	6.7
222.17015	4.3
223.15376	1.5
237.16924	2.0
241.15508	1.5
241.21771	1.4
252.18007	4.1
254.25002	1.5
254.93492	1.1
261.19366	1.1
266.12433	4.0
266.19586	4.4
267.18060	2.7
270.25522	1.9
271.26401	5.3
277.21222	1.3
282.19043	2.8
296.20584	5.6
307.21521	1.4
310.15182	1.4
312.20264	3.8
324.23819	3.8
340.23373	2.4
348.05350	1.3
354.25110	2.1
370.24689	1.5
372.18726	7.3
376.34094	3.2
394.31943	1.3
420.36884	5.2
430.22678	1.8
464.39270	2.2
508.42169	13.4
510.41809	1.3
552.44867	2.4
568.44073	2.8
659.46906	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	659.383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84565	0.9
52.84982	1.1
55.05493	1.2
55.94124	0.9
56.96568	42.9
57.03410	1.0
63.92060	0.9
67.05502	3.4
69.07072	2.0
69.54142	6.8
71.95258	4.4
72.96033	1.7
79.05492	1.6
81.03416	1.6
81.07060	3.3
84.96045	1.6
85.02908	2.3
91.03999	1.2
91.05479	2.4
93.07040	1.8
94.04015	0.9
95.08595	2.2
105.00172	1.5
105.07022	1.2
107.08588	1.6
110.97580	3.5
115.00681	2.9
117.13175	0.9
119.01759	1.1
119.08618	1.3
127.00689	2.3
128.98599	5.4
133.10130	1.2
137.02785	2.3
139.00671	2.1
145.01765	1.6
146.99693	2.5
151.00664	1.9
153.02275	3.1
155.03853	1.6
157.01733	1.2
159.03360	1.7
164.07095	1.5
167.03836	3.1
169.01730	2.0
171.03333	8.3
173.04808	1.2
179.03790	1.0
181.05302	1.4
185.04895	8.9
187.06517	1.4
189.04404	5.4
191.06123	1.1
193.05440	1.8
195.03325	1.1
195.07014	3.0
196.14758	1.1
197.04861	1.9
199.06439	15.3
203.05923	8.0
205.07408	1.5
207.06975	1.9
211.06366	6.5
213.07965	15.7
217.07439	11.8
217.09212	1.2
221.08504	1.5
223.10210	1.2
225.07973	7.1
226.07642	1.6
227.09557	6.7
229.07520	3.0
231.06955	1.7
231.08974	10.6
236.09586	1.5
237.04324	1.9
237.07965	6.6
239.09496	8.4
243.09109	6.4
245.10730	3.6
249.07858	5.1
251.09558	16.6
253.07310	1.1
253.11118	1.8
255.09036	33.5
255.11577	2.1
257.10651	2.9
262.08807	1.3
267.09048	51.6
269.10617	72.5
270.11237	1.6
273.10083	13.8
278.10779	4.5
279.09088	2.5
280.09882	2.2
285.10101	50.0
287.11655	16.1
290.10501	6.4
291.12808	3.7
292.12204	10.8
296.11673	2.1
296.40692	1.1
297.10049	1.2
303.11371	2.9
307.12262	1.1
308.11884	6.2
309.13907	2.3
313.14694	1.4
331.15805	20.9
349.16888	56.6
367.17935	100.0
368.18207	1.6
372.18640	3.9
375.69324	1.1
385.18921	5.9
390.19498	23.2
399.95709	1.2
401.85986	1.1
547.29852	1.7
561.30859	9.2
626.84332	1.1
641.37170	2.7
645.28876	1.2
659.38318	73.5
660.38000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25349	0.3
70.87885	0.5
70.88226	0.6
87.82350	0.3
137.05965	0.9
147.06818	0.6
147.08043	0.3
151.07523	0.5
164.08627	0.3
165.07005	0.8
165.09018	0.3
167.08377	0.4
177.05373	0.3
178.07628	0.9
178.08858	0.7
179.08585	0.9
181.06454	0.4
190.08852	0.3
191.08649	1.7
193.06522	0.3
193.10237	0.4
194.07249	0.5
194.09625	0.5
195.08060	1.3
197.09691	0.6
202.07700	0.4
203.08517	0.3
206.07413	0.7
206.09679	1.1
207.08075	1.6
208.08762	0.7
208.11192	0.7
209.09717	5.1
209.11525	0.6
217.06636	0.3
217.08795	0.8
218.07309	0.4
218.09602	0.9
219.08090	0.8
219.10352	0.5
220.08307	0.6
221.09647	3.5
222.10628	3.2
223.07613	1.7
224.08496	0.3
224.10706	0.6
225.09109	2.8
228.10202	0.4
229.10892	0.3
234.09081	1.6
234.10794	0.5
235.07558	1.0
235.09857	0.4
236.08391	0.6
236.10690	8.7
237.11127	0.8
238.07767	0.5
238.09941	6.7
238.12097	0.6
239.10628	0.8
239.12968	0.4
240.11516	4.7
246.09216	2.6
247.09886	1.1
248.08466	0.5
248.10701	2.6
249.09135	0.7
249.11482	11.3
250.09758	3.7
250.12331	1.3
251.10777	0.8
252.11713	1.7
253.12285	4.3
254.11826	1.0
255.12587	1.0
264.10196	8.8
265.11121	3.5
266.11737	8.7
267.12170	5.0
269.14130	0.5
270.14941	0.8
272.12830	0.6
280.13303	5.0
281.14087	2.5
282.11874	0.5
282.14911	5.3
283.15662	0.6
284.12738	0.6
298.14374	7.1
299.14706	3.7
312.15710	0.5
313.16599	0.6
330.16992	100.0
331.17319	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2265
Annotation	Sorocein B
Peak:m/z	Relative Intensity
55.05512	7.2
57.07073	12.7
67.05499	6.3
69.95644	21.0
71.08637	9.7
79.05501	6.2
80.67620	3.8
81.07074	5.2
83.40830	3.9
85.10197	8.2
87.04462	4.9
89.06026	21.9
105.07008	5.2
129.45857	3.7
133.08577	10.7
177.11079	6.8
459.27957	6.3
647.56567	4.2
659.22589	100.0
659.44104	9.7
664.59998	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	659.2353
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
55.05510	2.6
57.03422	2.3
57.07065	2.2
67.05497	6.2
67.69814	1.5
69.03439	1.8
69.07062	3.4
71.08631	3.1
71.56190	2.1
79.05497	6.4
81.07058	5.9
83.04994	1.5
88.03307	1.3
89.06024	1.9
91.05488	5.8
93.07043	4.7
95.08617	4.2
97.06561	2.5
100.81712	1.3
105.07035	4.8
107.08620	3.3
109.10175	1.9
119.08666	1.7
120.73843	1.4
121.06525	1.9
128.75731	1.3
129.35559	1.4
131.08614	2.6
133.08588	2.0
133.10188	2.6
135.11673	2.0
145.10139	2.4
171.11736	1.9
275.20142	2.7
374.89798	1.7
399.14426	1.8
400.15179	4.0
413.15814	1.8
414.16711	2.8
423.14621	4.5
434.20850	1.5
435.14337	4.5
436.15475	2.5
437.16406	7.3
438.16995	2.1
450.16916	4.6
451.17606	5.5
456.17639	1.6
464.14780	1.6
465.15485	5.5
465.20303	2.0
467.17584	1.9
469.14975	3.2
478.16431	3.1
480.18106	3.6
483.16602	3.1
484.17310	1.7
493.19217	8.4
494.14944	1.8
495.16684	4.6
496.17038	1.9
498.15533	2.6
507.16699	2.5
508.17480	7.9
509.18372	3.5
511.19702	2.5
512.16840	6.2
521.18329	10.8
522.15955	6.2
526.15125	1.9
526.51709	1.5
539.19110	2.9
543.23425	2.0
553.20856	14.5
571.22076	2.2
572.21930	1.8
581.20349	53.6
599.21063	13.7
600.21088	2.0
613.22748	15.3
615.28503	2.8
622.23212	4.1
631.23883	3.3
641.22491	100.0
642.23438	2.8
659.23297	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	658.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.0
57.07078	100.0
59.05005	21.6
61.09287	0.5
65.38593	0.5
69.07063	3.0
69.37925	4.7
71.08634	68.4
72.44376	0.5
73.06580	1.0
75.56130	0.5
80.02560	0.5
83.08641	1.2
85.10187	61.9
87.04465	6.3
89.06036	61.2
91.07592	0.7
97.10182	2.1
98.20904	1.6
99.11736	13.3
101.09696	2.4
103.07632	1.2
111.11741	0.9
113.13283	4.8
117.09113	4.1
123.57922	0.5
130.08629	1.5
130.67218	0.5
131.07086	2.6
133.08609	48.2
147.10182	0.8
150.46887	0.6
155.17940	9.3
161.11769	0.6
175.09749	2.4
177.11234	20.5
179.12653	0.7
189.78508	0.5
191.12836	0.7
211.58997	0.5
213.22133	21.6
219.12413	0.7
221.13892	3.8
235.15385	0.7
239.14990	0.7
265.16583	1.9
271.26346	9.4
283.17645	2.3
309.19168	0.8
327.20325	2.3
353.21820	1.2
371.22797	16.9
382.07785	0.8
411.25916	3.4
429.26889	2.8
459.28186	1.5
469.30194	1.5
641.48730	1.9
658.51038	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	658.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
53.87721	1.4
55.01872	1.8
55.05514	22.7
57.03431	5.3
57.07078	14.6
59.05007	23.4
61.02936	3.2
65.03974	1.5
65.15375	1.5
67.05510	8.6
68.99792	1.9
69.03430	10.5
69.07074	100.0
70.06601	1.8
70.07400	1.4
71.04962	3.0
71.08633	4.1
71.56492	1.5
73.02914	2.7
79.05489	3.2
79.78515	1.5
81.03431	11.6
81.07071	12.3
83.04991	3.6
83.08627	58.8
84.08147	1.5
85.02920	21.8
85.06513	1.5
87.00838	7.7
89.06051	3.6
91.05480	4.3
93.07065	3.5
95.08620	4.8
97.02888	8.0
97.06512	2.2
97.10172	12.6
99.04459	5.2
103.07575	2.3
105.01881	4.6
105.07050	3.4
107.08643	3.3
109.02908	10.3
109.10184	2.5
111.04442	2.2
111.11736	1.8
117.07007	1.8
117.09165	8.1
119.08588	2.4
120.08056	1.5
121.02908	2.0
121.06562	1.8
123.11707	2.8
125.13279	5.2
127.03910	13.8
131.08591	3.0
137.05988	4.7
140.19302	1.6
141.12781	2.7
143.14323	18.5
145.05066	3.1
146.64539	1.5
151.07550	2.9
155.71983	1.5
157.15903	2.2
159.02861	1.9
161.15390	2.6
162.05495	1.6
165.09146	1.5
167.07071	1.9
171.17529	1.7
174.18687	1.6
175.13318	4.6
185.13474	1.4
201.18489	17.2
213.03926	2.5
215.20198	2.4
229.21796	1.6
231.05046	3.4
259.22711	17.3
273.24368	1.7
277.23969	1.7
307.61713	1.5
317.26932	2.7
356.02838	1.5
375.31235	2.2
393.32126	64.8
485.35004	1.9
506.23788	2.7
589.42291	1.6
626.20123	2.2
629.21045	1.6
658.34521	2.9
683.73743	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01876	4.2
55.05516	10.9
57.03428	4.6
57.07077	3.9
59.04995	3.7
61.02926	8.9
67.05509	23.8
69.03419	3.8
69.07079	13.1
71.05019	3.7
73.02939	2.6
74.17750	1.8
79.05508	18.5
81.03404	4.6
81.07064	22.7
83.04973	3.6
83.08627	14.8
85.02906	12.7
89.06017	3.3
91.03941	3.4
91.05475	23.2
92.73612	1.7
93.07042	16.3
95.04975	4.4
95.08624	18.4
97.02875	4.8
97.06543	5.1
97.10201	11.4
97.10742	2.6
98.20702	2.8
105.07030	20.3
107.04951	3.1
107.08598	12.3
109.02831	2.8
109.06531	4.4
109.10163	6.4
111.08112	1.9
111.11766	1.6
112.39689	2.0
117.07025	14.0
119.08580	13.1
121.06496	5.1
121.10133	6.2
125.89240	1.7
127.03905	4.4
128.06180	4.9
129.07008	17.1
131.04941	2.0
131.08580	23.9
133.06499	4.4
133.10164	9.7
135.08067	3.3
135.11703	3.4
138.39247	1.8
141.07018	6.8
143.08574	20.3
145.04886	2.3
145.06543	4.5
145.10159	11.3
147.08012	2.7
147.11705	4.0
152.11855	1.8
154.07866	1.7
155.08556	13.8
157.10101	10.0
159.08035	3.2
159.11716	5.5
164.07039	4.9
167.08459	5.2
169.10129	10.8
171.11690	5.1
171.17451	1.8
175.14856	2.0
179.08530	2.7
181.10104	5.0
183.11668	5.1
184.07404	3.0
185.13255	4.6
193.10178	3.7
195.11771	5.6
197.13293	4.3
199.14795	3.0
207.11728	2.8
209.13213	6.0
211.14767	4.3
213.12729	3.7
217.15887	1.8
221.13179	4.6
223.14824	4.3
239.14326	3.5
257.15424	2.6
261.18353	2.2
323.23700	2.5
333.22025	4.3
341.24908	2.2
351.23080	17.2
369.24277	12.1
376.04025	2.0
387.25375	10.8
392.68304	2.1
393.32092	5.7
425.26788	7.6
443.27957	100.0
461.28986	95.3
462.28665	2.2
512.19214	4.6
623.34161	8.5
658.23468	3.4
658.40308	4.0
687.78717	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	658.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.4
57.06874	0.5
57.07082	5.0
58.06598	1.3
65.03966	0.8
67.05503	1.2
69.07078	1.0
70.00663	0.6
70.06597	14.3
70.07458	0.7
70.07755	2.8
71.08624	2.5
77.38910	0.6
79.05484	1.9
81.03434	0.8
81.07059	2.0
85.02922	0.8
85.10203	0.7
86.09750	0.7
88.07633	19.2
91.05485	1.6
93.07066	1.5
95.04971	0.7
95.08607	1.0
102.09185	14.1
105.03408	0.6
107.08575	1.3
109.06528	0.9
109.10153	0.9
115.72930	0.6
119.08615	1.0
121.06586	0.8
130.35153	0.5
131.04990	0.6
131.08607	0.9
147.41663	0.6
149.02347	29.9
149.03279	1.3
155.99103	0.6
175.03925	1.6
178.08699	0.7
184.07408	0.7
193.04965	39.5
209.56886	0.7
212.23796	0.7
219.06577	0.8
224.30804	0.7
227.13069	0.6
237.07559	10.9
256.26364	40.3
269.04507	1.1
297.04019	2.4
300.29010	1.3
313.07144	2.9
341.06577	8.4
359.07611	6.8
385.09195	16.9
429.11832	23.1
461.18491	0.6
632.91290	0.7
658.35883	100.0
659.36261	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	658.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.7
63.42976	0.7
69.03412	1.3
70.06586	2.5
70.80355	1.3
72.08150	1.1
81.03429	1.1
85.02880	1.2
86.09693	2.5
89.03906	0.9
89.05244	0.7
91.05489	4.4
93.07011	1.1
94.60051	0.6
95.04986	0.8
103.05423	0.8
104.10727	2.2
105.07044	1.0
107.04916	0.7
107.08607	1.1
117.03371	3.0
119.04910	2.0
120.08085	0.9
121.06470	0.9
124.03944	1.0
125.06004	0.8
127.03908	1.9
130.06522	0.8
133.02856	1.3
135.04385	0.8
137.06004	4.9
145.02873	7.8
147.04393	2.3
149.05994	3.5
151.07498	0.8
158.76825	0.7
161.05997	1.2
164.07126	0.8
165.06984	1.1
165.09157	0.7
167.07065	0.9
175.06218	1.4
177.04044	1.3
177.05487	16.8
179.07162	0.9
179.08655	1.5
180.07996	0.8
184.07346	5.0
190.07741	0.7
191.07097	1.1
191.08574	9.6
192.08133	0.7
193.06630	0.9
193.08858	2.3
201.05463	2.5
206.09767	1.0
207.06483	0.9
207.08104	1.5
208.11220	12.1
209.08138	2.5
219.08070	8.2
219.10104	1.4
221.08374	0.8
221.10736	1.3
223.07697	0.7
224.07018	1.5
227.09349	0.8
234.09230	0.8
236.10699	10.7
237.07867	6.4
238.08646	0.8
249.09161	6.5
250.08498	1.5
251.09436	3.9
255.06618	1.9
264.10190	6.7
265.10995	0.9
266.11777	100.0
267.11911	1.4
298.14395	86.5
299.14981	1.3
313.11835	0.7
325.10645	1.4
330.16949	1.6
355.11688	1.2
383.14804	1.0
394.14752	1.1
486.85950	0.7
496.23782	0.8
504.88821	0.8
635.82343	0.8
658.28174	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	657.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01888	21.6
55.05268	2.3
55.05515	34.1
56.38846	2.4
57.03436	5.9
57.07058	3.6
65.03909	3.0
67.05175	4.3
67.05510	55.0
69.03423	7.9
69.07072	37.4
71.08637	4.4
71.57057	2.5
79.05495	54.2
81.03419	7.0
81.07060	52.1
83.04984	9.6
83.08620	14.8
85.06553	2.3
87.04524	2.2
89.06034	3.1
91.05486	42.9
93.07051	40.8
95.01357	1.9
95.04968	18.5
95.08621	26.1
97.02884	6.1
97.06528	23.9
97.10175	21.5
103.25316	2.0
105.04504	2.5
105.06390	3.3
105.07041	44.5
107.04952	18.2
107.08591	40.9
109.06548	10.7
109.10162	20.7
111.08070	3.5
115.05486	2.9
117.07005	16.9
119.08595	31.1
121.06490	7.9
121.10137	11.5
123.08053	8.2
123.11698	3.4
125.09653	17.0
128.06221	2.3
129.06996	11.0
130.07813	2.7
131.08588	23.1
133.06488	5.8
133.10136	21.4
133.62767	2.3
135.08043	11.0
135.11685	7.9
137.09584	6.3
141.07001	3.2
143.08557	8.0
145.06499	4.4
145.10106	17.2
147.08044	7.8
147.11725	15.0
149.09634	16.1
149.13261	4.4
153.09132	3.3
155.08615	4.0
157.10109	7.7
159.11714	11.7
161.09639	5.9
161.13287	4.8
163.11244	11.3
163.14723	2.2
165.09106	4.8
169.10089	6.4
171.11722	3.7
173.11797	2.8
173.13281	5.5
175.11250	4.7
177.12738	3.2
183.11732	4.6
187.11136	2.4
189.11234	10.1
193.12207	2.6
195.13748	2.3
223.13260	17.1
227.12802	22.3
227.18013	2.8
229.19685	3.1
239.17801	3.0
257.19034	7.7
273.18503	20.4
275.20074	62.3
291.19556	100.0
293.21161	6.1
306.27692	2.1
315.48996	2.6
329.98502	2.4
331.22437	3.2
347.22189	8.1
349.23740	40.2
365.23233	32.3
519.31781	2.3
541.34937	4.7
543.36731	3.3
559.36530	2.8
575.80267	2.6
621.41364	6.6
639.42603	65.0
657.21625	18.1
657.33893	4.1
657.43427	10.2
658.21857	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	657.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
67.08122	0.3
70.06597	0.5
81.03417	0.6
81.07045	0.4
84.08118	0.5
85.02915	1.0
91.05494	1.5
92.05849	0.4
94.06512	0.3
96.07251	0.3
97.02944	0.4
97.77463	0.3
98.97612	0.5
107.05019	0.4
109.02895	0.6
111.04454	0.5
119.04949	0.8
119.08586	0.4
124.03967	0.5
127.03943	0.6
131.08585	0.4
137.05971	1.8
147.04445	1.2
151.07535	2.9
152.07892	1.0
157.04994	0.5
159.07921	0.3
167.07071	1.2
168.07393	0.3
172.07591	0.3
184.07390	0.4
207.06624	0.5
219.10210	0.4
219.32213	0.3
220.10461	0.3
253.10995	0.4
255.06625	1.0
256.07199	2.4
257.07788	1.2
266.11816	0.8
268.13300	1.7
269.13739	0.9
300.15820	0.7
301.16327	0.9
383.72260	0.4
387.81757	0.4
408.14273	0.4
448.61157	0.4
490.19925	0.4
636.27551	0.4
657.36774	100.0
658.36731	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
57.03422	1.2
57.07078	39.6
58.07407	3.6
59.05002	24.1
67.05514	3.0
67.13249	1.3
69.07063	3.5
69.21650	7.9
69.22068	3.1
71.08636	39.3
72.08976	2.7
73.02937	1.5
73.67780	1.1
79.05460	2.4
79.64321	1.5
81.07046	4.7
83.08616	2.6
85.10187	33.7
86.10523	2.4
89.06048	6.0
90.84388	1.3
91.05482	1.7
93.07025	2.5
95.08613	2.8
97.06551	1.4
97.10184	1.6
98.20792	3.1
99.08049	1.7
99.11747	4.3
101.09635	2.4
103.07580	2.2
105.07046	2.3
117.09158	6.3
119.08578	1.7
121.18408	1.4
133.08615	4.8
133.10188	1.6
141.16393	4.2
147.11766	1.8
187.02959	1.2
191.12836	2.4
199.20592	8.5
200.20996	1.8
209.10770	1.7
213.22038	1.5
223.12288	1.7
236.41331	1.3
237.13826	1.5
249.13873	2.4
257.24741	12.5
258.25079	2.1
258.48462	1.4
261.14063	2.2
273.14145	1.4
276.14832	1.4
280.37540	1.5
315.28851	1.8
329.17780	1.5
338.16702	1.8
340.18015	1.8
352.17740	2.7
363.16342	1.5
365.18130	1.5
375.16107	1.7
376.16626	2.1
377.17667	3.1
378.18893	2.1
379.19363	4.0
383.13403	1.3
389.17914	1.5
391.19293	2.0
393.16812	2.2
393.21310	2.3
394.17487	1.9
395.18320	2.0
403.19968	1.5
405.20901	2.9
407.18094	2.9
407.22681	2.4
408.19397	3.0
409.20084	5.7
419.18732	2.3
421.19550	7.5
422.21024	3.2
423.21890	16.7
424.22781	1.5
431.18481	1.6
433.20251	1.8
435.22110	6.6
436.22330	4.1
437.23157	4.2
446.21185	2.8
447.21851	4.0
449.09760	1.2
449.23465	4.0
451.21240	5.8
453.22797	1.9
454.20184	3.6
456.22586	2.4
461.23935	6.6
462.20905	1.8
463.21268	4.2
465.23068	3.4
466.23480	1.7
467.24631	3.0
476.22049	1.6
477.22720	6.3
478.23724	2.9
479.24316	5.5
481.22205	2.3
491.20041	1.8
493.22345	5.7
494.26526	4.7
495.17407	1.5
495.23831	11.8
496.24344	5.3
505.22766	3.1
506.22314	1.6
507.32349	1.5
508.24570	15.7
509.25626	12.1
510.26358	9.6
511.27158	12.6
519.24158	2.9
521.25604	6.5
522.26239	1.7
523.23218	7.2
526.29236	2.0
537.25092	15.5
538.25629	7.9
545.38440	7.5
551.22357	2.2
553.27539	5.2
565.24323	3.2
570.27948	3.8
581.27606	15.5
582.25067	1.7
583.25378	5.6
597.27118	41.7
598.27478	4.2
613.30212	61.7
614.29871	1.9
625.26587	100.0
657.29718	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	657.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.4
56.23155	0.7
57.03434	0.9
57.07082	7.9
59.05009	6.6
67.05484	3.0
69.07066	1.5
70.40287	0.7
71.08640	8.8
79.05496	2.7
81.07040	1.7
83.08627	0.9
85.10198	6.3
89.06023	2.0
91.05459	2.3
93.07034	2.4
95.08633	2.4
99.11766	0.8
105.07069	1.8
107.08591	1.1
109.10136	1.1
117.09153	1.4
119.08571	1.6
120.08167	0.9
131.07249	0.9
132.08051	1.1
133.08578	1.5
144.08078	0.8
179.14310	2.2
183.09161	1.0
199.20570	1.8
209.10757	1.4
219.09467	0.8
221.10858	1.2
223.12216	1.4
227.12869	1.0
236.13092	0.8
237.13828	1.4
238.14651	1.2
247.12422	1.5
249.13914	1.1
257.24719	1.5
261.13757	1.5
273.13879	2.9
275.11642	0.8
275.15457	0.8
277.21561	1.4
287.15250	1.3
288.16098	1.0
289.16968	0.9
298.13336	0.9
300.14886	1.2
314.16687	1.2
326.16516	1.4
338.16525	1.8
340.18103	1.0
349.15756	1.1
349.75662	0.9
350.16284	0.9
352.17874	1.6
364.17999	1.6
365.17673	2.2
376.17816	1.6
377.17691	2.6
378.19238	1.0
379.19199	3.0
381.20889	0.9
382.22736	0.9
390.19482	1.6
391.19183	2.8
392.20013	1.5
393.17032	3.1
393.21304	1.5
395.22751	1.3
405.21100	1.9
406.22034	1.2
407.18558	2.8
407.22485	2.8
408.19382	2.4
409.20258	5.5
413.20917	0.9
418.18250	0.9
419.18237	2.1
421.19464	4.3
421.24609	1.4
422.21805	3.6
423.16824	1.2
423.21884	15.4
424.21536	0.8
431.18616	1.0
432.19916	1.0
434.21109	2.3
435.22009	8.1
436.23004	4.3
437.23267	2.8
446.20908	1.8
447.21698	2.3
449.23221	3.2
450.23541	1.1
451.21021	5.5
453.22821	1.7
454.19958	4.5
456.22830	1.8
461.23856	6.1
462.20572	1.4
463.21585	4.4
464.21820	1.0
465.23376	4.6
466.21326	1.4
467.24377	3.3
468.25040	2.5
476.22217	0.9
477.23224	5.0
478.23279	3.0
479.25076	4.7
481.22314	2.6
491.21176	1.5
493.21353	6.3
494.25980	5.1
495.23584	9.7
496.24930	5.5
505.23087	1.9
507.24530	1.0
507.32080	1.2
508.24759	11.7
509.25809	10.8
510.26532	9.5
511.27307	11.3
516.24536	1.4
519.23804	1.8
520.22180	1.1
521.25604	5.1
522.26196	2.3
523.23596	4.6
525.28314	2.2
526.28754	1.5
537.25104	16.8
538.25934	9.3
539.26080	1.1
545.38379	8.9
549.24554	1.3
551.22424	2.3
553.28625	7.3
555.25720	2.2
565.24426	2.3
570.28302	3.7
581.27649	17.2
582.25000	1.4
583.25623	5.1
597.27191	40.5
598.27869	5.7
601.22937	1.0
607.25275	1.4
613.30261	72.1
614.30212	2.6
625.26617	100.0
626.26678	2.4
657.29083	10.5
657.52374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.6
57.03421	1.9
57.07080	100.0
59.05009	47.8
60.34281	1.1
61.57301	1.5
67.05515	1.2
69.07069	3.6
71.08640	74.1
71.48112	1.9
79.05437	1.8
81.07053	3.1
83.08617	4.0
85.10191	65.4
87.04449	2.2
89.06035	15.2
93.07028	1.6
95.08601	2.3
97.10165	3.6
99.08096	1.4
99.11737	13.1
101.09660	4.9
107.08602	1.9
109.10140	1.5
113.13274	5.4
116.19895	1.4
117.01848	1.4
117.09145	14.3
133.08618	5.5
135.11649	1.6
147.10104	1.9
155.17969	11.4
173.12021	1.4
175.13347	1.7
177.11273	6.7
193.38554	1.3
195.12347	3.1
213.22130	24.2
235.15424	1.6
253.16409	3.2
254.24680	1.8
271.26352	28.0
271.30872	1.3
311.20621	2.9
329.30527	2.7
443.43933	1.3
467.36826	1.5
545.38495	1.5
656.52850	3.8
686.03015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01868	8.3
55.05302	2.5
55.05513	28.9
57.03448	18.9
57.07080	63.9
62.82549	2.2
65.03942	3.3
67.05177	4.8
67.05511	70.8
69.03435	3.7
69.07076	72.0
71.05004	28.1
71.08644	41.2
71.56548	3.2
73.02915	6.5
76.43783	2.0
79.05064	3.4
79.05504	56.2
80.34552	2.5
81.03416	11.4
81.07063	72.6
82.37075	2.3
83.04979	14.3
83.08625	24.8
85.06547	6.3
85.10181	21.4
87.04427	3.1
89.06026	2.5
91.05495	44.1
93.07047	41.3
95.05006	18.5
95.08617	59.8
97.06544	93.5
97.10184	7.5
99.08116	6.0
105.07040	30.1
107.04958	10.8
107.08603	21.1
109.06541	20.1
109.10160	24.7
111.08056	6.2
115.07580	45.8
117.07037	16.5
119.08604	18.7
121.06487	7.2
121.10162	13.6
123.08094	4.5
123.11707	9.1
125.09654	3.4
127.07595	2.7
129.07008	6.3
131.08589	21.9
133.06485	3.3
133.10127	19.2
135.08080	12.9
135.11693	10.7
137.09677	2.3
137.13167	2.5
143.08574	8.2
145.10162	15.5
147.08067	7.6
147.11700	4.8
149.09633	5.4
149.13260	7.2
151.11212	3.5
157.10127	9.3
159.11678	10.1
161.09622	7.1
163.11134	3.7
165.09180	2.5
169.10115	2.8
170.43422	2.6
171.11697	5.7
175.11145	4.0
177.12761	7.8
185.02480	2.3
185.13347	5.1
187.11223	3.1
189.12730	3.3
191.14221	2.7
193.12178	2.4
195.13823	4.2
199.14963	3.2
217.15796	12.3
223.13333	2.9
227.17957	3.9
233.15428	3.9
233.70953	2.5
239.23737	5.6
244.08218	2.3
245.19037	4.7
249.14874	2.7
251.16431	3.4
253.14337	7.0
257.24573	3.3
267.16083	4.3
269.17465	10.1
273.18564	40.9
291.19583	22.3
297.16992	4.6
307.19055	4.9
313.27408	100.0
323.18597	2.8
329.21130	2.9
341.26959	8.0
347.22253	10.0
350.14481	2.5
365.23148	10.3
507.33456	3.0
507.40506	51.1
535.40173	4.4
544.36249	13.5
561.41022	3.2
585.45044	4.5
603.46246	14.2
621.47290	3.7
656.36121	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	656.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
55.01859	3.5
55.05517	18.5
57.03434	3.7
59.04987	3.4
61.02929	2.5
62.63549	1.3
65.67863	1.2
66.34815	1.2
66.84962	1.4
67.05499	12.7
69.03427	3.6
69.07057	5.9
69.72659	8.6
70.06610	1.6
79.05502	13.9
81.03413	1.8
81.07053	11.9
83.08627	13.0
85.02895	6.0
86.09679	1.8
91.03938	2.2
91.05488	14.6
93.07040	7.4
95.04952	3.3
95.08587	5.2
97.02922	2.4
97.10172	19.7
98.20818	1.6
103.05482	8.5
105.07031	13.8
107.08588	10.6
109.02894	2.0
109.06513	1.5
109.10147	4.7
115.05466	2.9
117.07011	21.6
119.08549	6.6
121.06513	2.6
121.10098	2.4
123.08059	1.3
125.09637	17.7
127.03902	2.9
129.07002	8.0
131.08559	14.0
133.06471	2.7
133.10086	2.1
135.08078	4.3
137.05992	1.6
141.06984	4.0
142.07672	1.7
143.08565	3.8
145.06477	6.0
145.10130	4.6
147.08055	1.7
147.11693	2.3
149.09621	2.6
151.03899	6.6
152.04210	2.5
153.09116	2.0
154.07726	1.4
155.08563	6.1
157.06537	2.0
157.10167	3.1
159.08098	1.6
159.11722	2.1
169.10143	5.3
171.07985	1.7
171.11678	4.1
171.40567	1.4
172.63405	1.3
173.13206	1.4
175.07610	1.7
181.10069	1.7
187.14825	4.2
189.11208	7.1
193.10168	1.5
195.11719	2.3
197.13266	8.6
209.13232	1.8
213.12692	1.5
215.14326	20.4
215.20305	1.4
227.12743	13.9
241.11856	1.6
285.60095	1.3
325.01202	1.2
349.21570	2.9
367.22632	8.4
385.23849	6.8
389.09915	1.4
390.10553	2.4
403.24817	2.3
408.11490	2.3
441.26416	47.2
450.10849	1.6
459.27438	100.0
467.39200	1.5
477.28381	11.3
542.78668	1.5
557.85443	1.4
656.39154	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	656.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12691	0.4
55.01844	0.6
57.13939	0.4
58.71662	0.4
64.80247	0.5
67.58644	0.4
69.03400	0.9
71.37861	0.8
71.38192	0.5
78.04668	0.5
79.05453	0.8
81.03362	1.3
83.04964	0.8
85.02866	2.0
89.42635	0.4
91.05437	0.8
95.04973	0.6
95.58188	0.4
96.04498	0.5
96.29303	0.5
97.02860	1.0
103.05457	0.8
103.46166	0.5
107.04906	2.1
109.02838	0.6
115.05366	0.5
123.04389	1.7
127.03898	0.5
131.04933	0.9
137.05949	1.7
143.04909	1.0
146.05960	0.7
147.04420	2.8
149.05927	1.6
152.04762	0.5
159.04350	0.5
161.05957	1.3
162.05484	2.2
163.06288	0.8
165.06924	0.7
167.07043	21.8
174.05432	0.5
175.03888	1.9
176.07053	1.2
178.07780	1.4
179.08507	2.5
181.04913	2.3
181.06422	0.9
181.66344	0.5
182.08124	0.7
187.03880	0.4
189.06981	2.9
191.06960	0.6
193.06522	0.7
195.07936	0.6
205.04761	0.5
205.06441	2.2
206.07277	1.3
207.06522	1.0
207.08095	9.3
210.06700	1.3
211.07614	0.8
217.06540	3.0
218.07207	0.4
219.08034	0.7
220.05157	1.3
221.06053	4.3
221.07950	1.0
222.06725	0.6
223.07509	1.6
224.08305	1.1
225.09052	1.0
226.06145	0.7
229.31673	0.5
233.05965	1.4
234.06802	7.4
234.09003	0.9
235.07556	22.6
237.05447	1.8
238.06219	3.6
239.06975	1.3
240.10152	0.7
245.05963	2.4
247.07536	1.3
248.04686	0.7
249.05455	4.2
249.09262	0.5
250.06253	1.4
250.08658	1.4
251.07018	4.4
251.09467	1.3
252.07808	5.3
253.08614	6.3
255.06458	0.9
261.05438	0.7
262.06262	28.8
262.08627	2.0
263.07043	24.8
264.07654	0.8
265.04916	6.2
265.07480	2.3
266.05716	5.6
266.08270	1.3
267.06506	3.0
267.10117	1.8
269.08112	1.1
270.08905	0.5
277.04965	2.1
277.08496	0.9
278.05527	1.0
278.08151	1.3
279.06464	5.3
279.09042	1.8
280.07233	7.3
280.09750	4.7
281.08093	15.9
282.08768	2.4
283.06064	2.3
290.05566	4.9
291.06479	3.8
292.09848	0.5
293.04178	0.7
293.07263	1.6
294.04590	2.1
294.07910	4.2
295.06015	3.3
295.09613	5.1
297.07571	1.9
298.08099	3.0
300.08835	0.7
301.10522	0.6
306.07706	0.7
307.08572	2.4
308.06534	13.5
308.09164	2.1
309.07370	12.5
310.07678	2.2
311.05545	1.8
313.10690	13.8
314.10303	1.0
323.09134	35.0
324.08731	2.1
325.09628	4.5
326.07767	8.6
326.11292	0.7
329.10114	1.1
330.13312	6.7
339.11081	0.8
340.11786	14.0
341.10187	44.6
354.13333	0.6
358.12851	100.0
359.13156	1.3
376.13843	1.1
382.12952	0.8
391.10254	0.5
400.13831	3.4
418.15021	1.0
436.14108	1.6
436.64502	0.5
466.14978	1.3
484.16168	2.0
502.17130	6.5
520.18146	18.4
520.25922	0.9
527.06671	0.5
589.02856	0.5
656.25507	87.7
657.25928	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98631	0.3
55.05507	0.7
67.05508	1.4
69.07082	0.5
69.28804	2.5
75.04492	0.5
79.05467	0.7
81.07068	1.3
83.08595	0.5
89.77856	0.3
91.05484	1.2
93.07063	0.9
95.08646	0.4
105.07064	1.1
107.08598	0.6
109.10154	0.5
115.57884	0.3
121.10197	0.7
131.08664	0.4
133.10123	0.5
151.07646	0.4
190.63098	0.3
281.12430	0.4
291.19717	1.1
391.19513	0.5
392.20169	0.6
393.20764	0.5
405.16345	1.7
405.21603	0.5
406.22046	0.7
407.22403	3.7
408.22833	0.4
410.23291	0.8
419.18008	2.2
419.23334	0.8
420.19510	1.2
421.20352	1.1
432.19662	0.4
433.20468	4.0
434.21030	3.5
435.21844	7.7
436.22580	0.6
445.20309	0.4
447.21927	2.3
448.23242	0.7
449.19128	1.6
461.19601	1.3
461.24527	0.6
462.20361	4.5
463.21182	3.7
475.21616	1.6
476.22253	1.3
477.22845	1.6
478.23550	0.9
479.20795	0.7
489.22818	1.2
493.22482	0.5
495.23959	1.0
503.23953	0.4
507.21448	0.7
507.22830	0.7
508.24884	2.0
509.25824	2.0
521.25653	11.6
535.26636	0.7
540.27106	0.5
543.36945	0.5
547.26904	0.5
549.25006	17.8
550.25555	0.5
553.24597	0.7
554.21228	2.4
563.26727	2.6
564.27252	0.8
577.25287	0.4
581.27557	3.8
595.29388	10.2
596.29932	0.5
603.90045	0.4
607.29675	0.5
609.27148	10.6
614.23383	0.4
623.28497	0.8
637.40973	0.5
655.31256	100.0
656.32196	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	655.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	0.8
58.84143	0.6
65.19694	0.5
69.55523	0.5
70.98810	1.1
81.07104	0.7
83.04991	2.0
89.06037	0.6
105.07044	0.7
129.07001	0.8
147.11751	0.6
157.07590	0.6
175.01535	1.3
181.02681	1.8
181.51999	0.6
183.09274	0.7
209.10901	0.8
210.11572	1.0
211.12263	0.8
221.10828	1.5
222.11478	1.0
223.12305	2.7
224.13075	1.1
225.13905	2.0
227.04756	1.1
235.12373	2.0
236.13120	2.0
237.13962	4.5
238.14639	3.9
239.15350	1.3
246.11610	0.8
247.12402	1.1
249.13972	1.4
250.14845	0.9
251.15462	4.3
252.16249	0.7
253.17007	2.9
255.06546	1.0
261.13943	6.2
262.14630	1.1
263.15305	0.8
264.12524	0.7
267.15228	0.6
272.68301	0.6
275.20236	0.7
279.14987	2.2
280.15869	0.9
286.13620	0.7
294.14215	0.6
313.12085	1.8
325.15753	0.8
328.18222	0.8
329.08231	0.6
340.18216	1.4
351.16556	0.9
352.17593	1.7
353.18124	1.3
354.19354	0.7
363.16351	0.9
364.17966	1.1
365.17941	1.3
366.19095	1.9
367.19415	2.2
368.20334	0.8
373.15359	0.6
377.17670	2.6
379.19312	2.2
381.16980	0.8
381.21393	1.0
383.22330	0.7
391.19534	1.4
392.20010	1.6
393.16827	1.1
393.21237	1.2
394.18021	1.9
395.18710	2.8
396.19708	0.8
404.16638	0.7
405.16754	1.3
405.21454	1.0
406.18088	0.9
407.18607	2.8
408.20151	0.9
409.20334	1.9
410.22702	0.9
411.21997	0.8
419.18747	1.2
420.19537	1.5
421.20300	2.4
422.21136	2.0
423.17688	0.7
427.21194	1.6
435.18008	3.5
437.19925	1.9
438.20575	1.8
439.21356	2.2
440.22784	0.7
448.19235	1.6
449.19424	3.3
450.20584	2.3
451.17209	0.9
453.23508	1.4
454.24576	0.6
455.20325	0.6
462.21191	0.7
464.22787	0.8
465.18658	5.4
466.20062	1.6
469.26822	2.9
476.18170	2.6
479.24188	2.5
480.21945	2.2
481.22021	1.3
482.23297	2.1
483.20206	1.1
491.20770	1.0
492.21341	1.0
493.18088	0.7
493.22968	1.0
496.24765	0.6
497.25632	6.8
507.24170	4.0
508.20676	4.2
509.21777	1.7
510.22995	3.0
511.20605	0.6
512.25366	1.0
514.25909	4.6
521.22131	0.8
524.25348	0.7
525.25098	9.0
529.28296	5.5
535.23041	2.7
536.23724	0.8
538.22644	0.8
539.25793	0.9
541.27240	1.0
542.25183	2.3
552.24109	1.0
553.24536	4.6
557.28131	3.4
563.22882	2.8
565.28589	0.8
567.26508	5.0
569.27411	1.8
570.24829	1.9
581.24054	2.6
585.27020	17.5
595.25537	93.7
596.25775	2.5
599.24994	2.4
611.27533	0.6
613.26593	100.0
614.26990	2.3
623.24750	1.4
627.28070	0.9
655.26617	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	654.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.3
56.96568	20.9
57.03452	1.2
61.02921	2.1
67.05497	2.5
69.07089	2.5
70.98331	1.9
71.95267	1.8
72.96051	1.1
74.97630	1.5
79.05501	2.5
80.93488	1.0
81.07068	2.3
85.02916	1.7
91.05501	2.3
95.08617	2.0
97.02904	1.1
98.97577	2.5
105.00172	1.3
105.07055	3.3
110.97583	7.2
116.98619	1.2
128.98618	6.3
133.10236	1.3
137.06001	4.5
146.99664	4.6
151.07489	1.6
159.03204	1.1
164.06952	1.3
165.09116	3.4
171.03365	2.2
178.08641	21.4
179.08958	7.2
184.07346	1.1
185.04929	2.9
196.84471	1.2
199.06438	10.7
201.04338	1.2
202.08647	2.5
205.07494	4.3
211.06464	4.0
213.64877	1.1
217.07506	10.8
219.03468	2.2
219.06821	1.4
222.08076	1.1
223.02766	3.3
223.08627	3.5
225.08171	1.5
229.07465	5.3
237.04240	2.4
237.08018	4.5
239.09520	2.2
243.09027	1.8
247.08530	1.8
251.09578	2.7
253.11116	2.2
255.09085	26.1
255.11636	2.1
262.08896	2.9
269.10495	2.5
273.10022	11.8
278.10693	4.8
279.09012	3.0
280.09885	7.1
281.10895	1.4
291.12701	2.2
296.60818	1.3
298.10779	2.8
303.11313	2.0
303.16397	1.3
309.13895	2.4
321.17432	1.7
328.22769	4.1
329.22968	2.9
331.15805	31.0
331.19730	1.7
340.15573	2.0
341.15686	2.7
342.17630	1.0
349.16885	100.0
349.65442	1.1
350.17010	1.3
367.17953	47.5
372.18521	10.1
390.19565	13.5
636.34808	1.4
654.36572	4.8
666.09967	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2766
Annotation	Karajinone A
Peak:m/z	Relative Intensity
57.07067	0.8
58.84143	0.6
65.19694	0.5
69.55523	0.5
70.98810	1.1
81.07104	0.7
83.04991	2.0
89.06037	0.6
105.07044	0.7
129.07001	0.8
147.11751	0.6
157.07590	0.6
175.01535	1.3
181.02681	1.8
181.51999	0.6
183.09274	0.7
209.10901	0.8
210.11572	1.0
211.12263	0.8
221.10828	1.5
222.11478	1.0
223.12305	2.7
224.13075	1.1
225.13905	2.0
227.04756	1.1
235.12373	2.0
236.13120	2.0
237.13962	4.5
238.14639	3.9
239.15350	1.3
246.11610	0.8
247.12402	1.1
249.13972	1.4
250.14845	0.9
251.15462	4.3
252.16249	0.7
253.17007	2.9
255.06546	1.0
261.13943	6.2
262.14630	1.1
263.15305	0.8
264.12524	0.7
267.15228	0.6
272.68301	0.6
275.20236	0.7
279.14987	2.2
280.15869	0.9
286.13620	0.7
294.14215	0.6
313.12085	1.8
325.15753	0.8
328.18222	0.8
329.08231	0.6
340.18216	1.4
351.16556	0.9
352.17593	1.7
353.18124	1.3
354.19354	0.7
363.16351	0.9
364.17966	1.1
365.17941	1.3
366.19095	1.9
367.19415	2.2
368.20334	0.8
373.15359	0.6
377.17670	2.6
379.19312	2.2
381.16980	0.8
381.21393	1.0
383.22330	0.7
391.19534	1.4
392.20010	1.6
393.16827	1.1
393.21237	1.2
394.18021	1.9
395.18710	2.8
396.19708	0.8
404.16638	0.7
405.16754	1.3
405.21454	1.0
406.18088	0.9
407.18607	2.8
408.20151	0.9
409.20334	1.9
410.22702	0.9
411.21997	0.8
419.18747	1.2
420.19537	1.5
421.20300	2.4
422.21136	2.0
423.17688	0.7
427.21194	1.6
435.18008	3.5
437.19925	1.9
438.20575	1.8
439.21356	2.2
440.22784	0.7
448.19235	1.6
449.19424	3.3
450.20584	2.3
451.17209	0.9
453.23508	1.4
454.24576	0.6
455.20325	0.6
462.21191	0.7
464.22787	0.8
465.18658	5.4
466.20062	1.6
469.26822	2.9
476.18170	2.6
479.24188	2.5
480.21945	2.2
481.22021	1.3
482.23297	2.1
483.20206	1.1
491.20770	1.0
492.21341	1.0
493.18088	0.7
493.22968	1.0
496.24765	0.6
497.25632	6.8
507.24170	4.0
508.20676	4.2
509.21777	1.7
510.22995	3.0
511.20605	0.6
512.25366	1.0
514.25909	4.6
521.22131	0.8
524.25348	0.7
525.25098	9.0
529.28296	5.5
535.23041	2.7
536.23724	0.8
538.22644	0.8
539.25793	0.9
541.27240	1.0
542.25183	2.3
552.24109	1.0
553.24536	4.6
557.28131	3.4
563.22882	2.8
565.28589	0.8
567.26508	5.0
569.27411	1.8
570.24829	1.9
581.24054	2.6
585.27020	17.5
595.25537	93.7
596.25775	2.5
599.24994	2.4
611.27533	0.6
613.26593	100.0
614.26990	2.3
623.24750	1.4
627.28070	0.9
655.26617	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	654.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01859	8.4
55.05515	25.2
56.05028	2.3
57.03425	6.4
57.07095	1.5
57.11306	1.7
58.06602	6.3
61.02930	15.1
65.03956	3.5
66.94973	1.5
67.05508	32.8
69.03430	6.3
69.07068	15.9
69.94688	3.0
69.95077	3.5
70.06597	2.0
71.04990	2.9
73.02921	5.1
79.05499	74.1
79.63676	1.5
80.05029	2.6
81.03424	8.3
81.07060	34.0
82.06592	14.7
83.04978	2.9
83.07363	2.4
83.08624	25.7
85.02908	16.4
87.00845	2.9
87.04468	1.8
91.03934	7.4
91.05486	60.4
93.07046	21.9
95.04976	10.4
95.08610	14.7
96.08133	4.0
97.02893	8.4
97.06517	3.3
97.10171	7.2
98.20772	1.7
103.05487	7.8
105.01895	2.4
105.04530	2.9
105.07038	41.3
106.06595	2.5
107.04967	37.5
107.08600	34.0
109.02917	4.5
109.06508	3.5
109.08846	1.8
109.10170	5.6
111.08099	7.0
115.03929	2.0
115.05429	9.0
115.30161	1.5
117.05743	2.4
117.07024	28.8
118.06554	5.0
119.04950	13.7
119.08596	19.7
120.08115	1.7
121.06524	6.9
121.10148	6.9
123.04445	2.2
123.08108	3.6
124.11237	67.3
125.09607	4.4
127.03910	4.2
128.06241	7.7
129.07011	36.5
129.07918	3.2
131.04930	3.8
131.08588	18.0
132.08110	3.2
133.06497	10.5
133.10144	5.1
135.08040	13.9
135.11661	1.8
137.06007	5.8
139.07468	1.8
141.06949	4.8
142.07735	2.3
143.08572	19.8
144.08084	3.0
145.06509	4.7
145.10121	6.0
146.06012	2.1
146.09680	2.0
147.08023	8.4
147.11642	2.3
149.09631	12.5
151.07535	1.9
152.10732	4.3
154.06322	2.7
154.07707	2.2
155.08557	2.4
156.08087	3.7
156.09296	2.0
157.06516	4.8
157.08678	2.9
157.10121	8.1
158.09734	1.9
159.11679	3.1
161.13225	2.7
163.06253	2.4
163.07538	16.3
165.07047	2.3
167.07040	14.1
167.08557	5.8
169.10173	5.3
170.11790	46.4
171.10434	1.6
171.11681	8.1
175.09656	6.1
175.11024	1.9
175.14824	3.0
178.08659	4.8
180.07899	3.2
180.09418	1.9
185.09776	2.2
185.13263	22.1
195.10176	100.0
195.11690	8.5
199.13361	2.3
203.14301	11.7
207.10208	2.5
213.10838	10.4
213.12907	28.2
219.10182	1.5
222.12857	1.9
226.14368	36.0
230.15399	14.1
231.13823	28.7
248.16452	20.9
249.14853	4.8
255.10100	1.8
272.20172	3.2
280.10330	1.7
282.12299	2.2
287.16418	1.9
304.18964	2.2
305.17517	19.4
323.18478	1.9
332.18478	3.8
342.17239	2.6
343.17413	2.3
354.24432	4.4
372.25104	2.0
382.23431	7.5
400.25085	9.1
418.25888	7.9
446.29004	10.7
456.27338	17.7
474.28522	43.7
475.29193	4.4
492.29614	52.8
654.38324	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	653.2824
Annotation	Saludimerine A
Peak:m/z	Relative Intensity
53.03944	0.5
55.05517	3.1
56.90050	0.4
57.07077	33.4
59.04995	0.7
61.10145	0.4
65.03605	0.6
65.03941	11.6
66.39738	0.5
67.05510	1.0
69.07082	1.0
69.41296	3.8
71.05006	0.6
71.08615	0.9
79.05480	0.6
80.73035	0.4
81.07047	1.4
83.04986	14.9
85.10196	0.5
89.06039	0.7
91.05484	8.8
93.07059	0.7
95.04947	0.6
95.70308	0.5
97.01106	1.7
98.98470	1.3
99.02680	100.0
101.67963	0.5
105.07024	5.0
107.08589	1.2
115.05455	1.5
117.07024	2.2
119.08565	5.1
121.10068	0.5
129.06982	1.2
131.08604	1.2
132.09396	2.5
133.10152	2.2
141.06989	4.6
141.13988	0.5
142.07771	3.1
145.10146	0.6
147.08054	0.7
147.11691	33.6
159.08086	1.8
161.04207	0.5
161.13312	1.7
166.99286	1.4
169.07637	1.4
173.04213	1.9
175.01579	11.8
175.05771	1.1
178.99319	1.7
187.01588	1.1
197.00339	8.7
227.04669	1.6
231.07866	0.6
231.26962	0.5
239.04718	2.5
243.02467	1.1
244.95329	0.6
254.98351	1.0
255.02409	3.4
273.03433	12.1
273.06210	0.7
276.96948	1.2
299.08563	0.7
311.08713	1.0
329.09705	18.4
353.00101	17.9
385.15942	4.2
394.02936	1.1
394.55087	0.5
409.06339	9.9
429.03333	1.2
450.09256	0.5
485.09464	4.8
541.15771	27.5
542.15717	0.6
597.22003	78.9
598.22162	1.7
653.28253	87.7
654.28247	1.9
654.69128	0.5
678.87347	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	652.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58678	0.5
69.03431	1.0
69.30499	4.1
70.06570	0.5
73.02921	1.1
73.06552	2.4
81.03429	0.8
84.88419	0.6
85.02913	1.8
87.04475	14.6
89.06037	100.0
91.05491	0.9
91.07600	1.0
97.02876	0.7
98.21462	0.9
107.07084	0.7
109.02888	0.8
117.09163	1.8
119.04948	1.0
121.02831	0.7
121.06495	0.9
122.05981	0.5
127.03952	0.8
130.08685	0.6
131.07045	4.4
133.08614	62.3
137.05969	3.4
153.01831	3.2
154.02185	1.0
159.02917	0.6
175.09685	4.3
177.05479	0.7
177.11227	27.7
178.08740	0.9
178.96124	0.5
185.19731	0.5
207.06686	0.7
219.12378	1.5
219.14850	0.5
221.13878	6.0
223.15628	0.7
237.80421	0.6
239.14948	0.6
265.16510	1.9
271.06033	35.0
272.06375	32.6
273.07135	1.7
283.17551	1.4
309.19119	0.8
314.13870	0.7
327.20166	1.0
353.21820	1.0
371.22690	0.7
385.12970	0.6
547.33978	0.6
591.35052	0.6
599.12842	0.5
635.38458	7.3
652.24164	0.9
652.41437	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	651.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
53.71476	1.3
55.01864	3.6
55.05513	20.8
57.03445	10.2
57.07068	4.2
59.04998	2.8
65.03948	3.3
67.05508	100.0
67.95260	1.3
69.03437	23.6
69.07060	11.3
70.95035	2.2
71.01361	1.9
71.04991	7.0
71.08639	2.0
79.05500	30.0
81.03422	31.8
81.06576	2.8
81.07059	48.5
83.04984	12.3
83.08619	11.6
85.02901	4.5
85.06544	1.9
91.05488	27.0
93.07050	29.2
95.04960	6.7
95.08609	31.8
97.02872	7.8
97.06537	4.6
97.10161	7.5
99.04455	4.2
103.03967	2.4
103.45133	1.4
105.07030	24.0
105.07683	2.2
107.04963	5.1
107.08594	19.4
109.02897	7.0
109.06532	4.5
109.10164	61.4
111.04460	6.6
111.08082	5.3
113.06008	2.4
115.05450	1.7
117.07018	11.1
119.08585	24.7
121.06498	5.4
121.10148	11.9
123.04420	1.9
123.08060	2.6
123.11709	5.1
125.09614	10.3
127.03905	5.6
128.06221	2.5
129.05481	4.4
129.07011	6.6
131.08580	16.0
133.06474	3.2
133.10141	13.0
135.08072	4.2
135.11670	7.7
137.09624	4.8
139.11208	2.8
141.06956	2.3
142.07857	1.4
143.08572	6.5
145.06506	2.4
145.10117	9.6
147.08037	2.7
147.11681	8.9
149.09639	2.9
149.13258	6.7
151.11307	1.6
153.07027	1.4
155.08542	3.3
155.10689	6.1
157.10138	5.7
159.11705	9.5
161.09599	2.7
161.13289	2.6
163.11241	2.9
163.14888	1.7
167.08557	1.8
169.10159	4.7
171.08057	2.9
171.11719	5.0
173.09624	2.3
173.10312	1.5
173.11758	15.7
173.13312	5.8
175.11156	2.9
175.14905	2.8
177.12790	2.6
181.10112	1.9
183.11723	2.6
185.09612	2.1
185.13272	4.2
187.14856	4.0
189.11221	6.1
189.12779	2.3
191.14333	1.9
195.11717	2.7
197.13336	2.8
199.11162	1.9
199.14861	2.8
201.12735	1.8
211.11272	1.4
211.13097	1.8
211.14911	2.1
213.12888	2.1
213.16444	1.6
217.15854	1.5
221.13432	1.6
227.12808	6.2
229.12102	2.3
229.14365	40.9
233.15379	2.1
241.19281	1.5
243.21147	2.1
245.13762	3.1
259.20572	2.0
261.22202	5.2
273.22183	2.3
277.21823	1.3
279.23291	2.7
289.21542	1.9
299.14798	2.2
301.21698	5.7
303.23172	2.7
319.22638	2.3
327.23254	2.6
335.25830	8.0
337.27277	4.4
341.24930	1.8
345.24463	2.2
351.23294	6.4
369.24341	12.0
371.17078	3.4
371.26001	2.1
373.18573	5.1
375.25305	1.8
387.25381	8.5
405.26321	4.6
423.27301	1.5
443.27789	4.1
461.29034	6.6
479.29803	4.8
487.34183	1.9
489.35757	7.2
507.36954	1.9
597.37891	8.2
615.38898	11.3
633.40015	32.6
651.40936	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01862	4.1
55.05263	1.9
55.05514	26.6
57.03442	8.3
57.07058	4.4
59.04996	2.8
65.03919	4.3
65.67419	1.2
67.05508	100.0
69.03078	1.9
69.03432	25.7
69.06792	1.0
69.07073	14.2
69.20922	9.2
69.21331	2.9
71.04993	7.3
71.08624	1.3
73.02905	1.7
79.05062	2.2
79.05495	31.3
81.03421	41.9
81.07060	53.6
83.04983	18.7
83.08620	15.6
85.02900	5.7
85.06540	3.9
91.05486	30.3
93.07050	34.8
95.04987	7.1
95.08611	39.4
97.02895	13.0
97.06522	4.0
97.10167	12.8
99.04447	5.0
99.08095	2.6
103.05432	1.4
105.07034	22.6
107.04928	4.0
107.08603	24.5
109.02879	7.0
109.06514	5.6
109.10159	65.8
111.04446	6.5
111.08082	3.6
111.11719	1.4
115.05446	3.9
117.07019	14.2
119.08588	20.5
121.06466	2.7
121.10134	17.5
123.08047	4.0
123.11726	6.5
125.09640	9.5
127.03915	5.9
128.06223	2.3
129.05492	7.8
129.06963	8.0
131.08574	18.6
133.06493	3.4
133.10156	14.4
135.08022	5.1
135.11714	11.6
137.05991	1.6
137.09590	5.2
137.13243	2.2
139.07533	1.3
139.11139	1.7
141.06981	2.5
143.08563	7.0
145.06432	3.0
145.10123	14.3
147.08061	3.8
147.11717	10.6
149.09575	3.0
149.13310	6.1
151.07477	1.3
151.11157	1.4
153.09081	2.2
155.08545	4.8
155.10683	3.9
157.06512	1.2
157.10146	8.5
159.08069	2.5
159.11697	10.6
161.09631	2.7
161.13286	7.0
163.11140	2.2
163.14868	2.3
165.06972	1.3
166.07768	1.5
167.08591	1.8
168.09392	1.3
169.10153	3.5
171.08070	2.9
171.10332	2.1
171.11697	4.7
173.09578	1.6
173.11732	16.9
173.13239	6.2
175.11165	2.2
175.14865	2.4
177.12738	1.9
179.08556	1.3
181.10077	3.4
183.11674	4.5
185.09721	1.8
185.13211	5.6
187.11096	1.9
187.14763	3.2
189.11208	9.3
189.12740	2.6
195.11743	2.1
197.13274	3.4
199.11157	2.4
199.14830	2.6
201.12802	1.7
213.14792	1.5
215.14259	2.5
227.12723	10.3
229.12099	2.1
229.14339	34.3
239.14449	1.6
241.19501	1.4
243.20995	1.7
245.13666	1.9
259.20529	2.6
261.22125	6.4
263.23810	1.8
273.22104	1.8
277.21732	2.5
289.21649	2.0
299.14847	3.3
299.23581	1.6
301.21661	5.4
313.21664	1.4
315.23068	1.7
317.24478	1.7
319.22629	3.4
323.24088	1.5
327.23077	1.9
335.25946	14.2
337.27399	8.9
341.24802	2.9
345.24121	2.5
347.25980	1.7
351.23230	5.6
353.24930	1.4
355.17731	2.4
357.24280	1.5
363.25601	1.6
367.22858	1.2
369.24313	14.1
371.17029	4.2
373.18723	6.4
387.25317	6.7
405.26236	4.0
443.27835	4.8
461.28809	7.7
471.34296	1.9
479.29733	6.4
479.43259	1.3
489.35989	8.5
507.36844	4.3
559.35712	2.2
569.37897	1.5
573.37866	1.6
585.37775	2.0
597.37933	7.2
615.39221	8.9
633.39948	39.7
651.40649	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	651.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01855	2.4
55.05513	16.6
57.03436	6.1
57.92857	1.3
59.04974	1.8
67.05508	63.1
69.03435	13.5
69.07079	8.4
71.04990	4.0
71.08631	1.4
71.40221	2.4
71.99570	1.4
73.02896	1.5
79.05493	17.7
81.03418	23.1
81.07059	31.2
81.23405	1.4
83.04987	11.1
83.08630	9.9
85.02905	2.9
85.06561	1.8
91.05485	20.0
93.07047	18.6
95.04971	5.3
95.08614	22.0
97.02893	9.5
97.06549	1.7
97.10191	7.9
99.04446	3.5
105.07038	11.3
107.04908	1.4
107.08599	15.5
109.02879	5.4
109.06548	3.1
109.10160	39.7
111.04448	5.4
111.08076	4.2
117.06992	7.0
119.08587	13.1
121.06554	2.3
121.10155	7.2
123.11668	2.6
125.09638	6.4
127.03892	3.3
128.06219	1.6
129.05473	4.2
129.07008	5.3
131.08562	9.6
132.30734	1.8
133.06473	2.0
133.10120	6.8
135.08075	2.9
135.11656	7.3
137.09610	3.7
139.11166	2.2
141.06985	2.0
142.07813	2.1
143.08563	4.5
145.06499	1.6
145.10123	7.7
147.11674	4.6
149.09689	1.9
149.13242	2.5
151.58992	1.4
155.08601	3.5
155.10620	2.3
157.10185	4.7
159.08044	2.1
159.11646	7.1
161.09698	2.1
161.13306	3.3
167.08717	1.6
169.10135	3.2
171.11745	2.7
173.11749	13.0
173.13319	4.8
175.11107	2.2
181.10126	2.4
183.11740	2.0
185.13330	2.7
187.14862	1.8
188.30194	1.6
189.11217	5.7
197.13269	2.4
199.14951	2.1
227.12683	9.6
229.14326	24.5
239.14209	1.5
245.13899	2.4
245.77144	1.6
259.20535	2.1
261.22147	4.1
271.06003	2.0
277.21237	1.5
283.20816	2.0
289.21603	2.0
297.22134	1.6
301.21689	3.0
303.23114	1.9
327.23380	1.5
335.25824	5.8
337.27386	2.6
351.23230	2.6
369.24329	6.6
371.17239	3.0
373.18494	4.1
387.25345	3.3
405.26318	2.7
425.26965	1.6
433.71713	1.7
443.28067	1.9
461.29065	3.5
479.30112	3.3
489.35892	6.0
597.37683	4.8
615.38855	4.6
633.39899	24.1
648.75720	1.6
651.40802	100.0
652.41327	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	649.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.2
57.07067	0.4
57.75953	0.2
67.05465	0.3
67.30522	0.3
69.42162	1.1
69.42588	0.9
71.08620	0.2
85.10190	0.6
89.06038	0.5
98.21597	0.3
102.67095	0.2
105.07094	0.2
110.36543	0.2
117.66847	0.3
123.58360	0.2
161.06004	0.3
649.45001	100.0
650.45313	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	651.1559
Annotation	Malonylapiin
Peak:m/z	Relative Intensity
61.02901	0.2
67.01852	0.4
68.99783	0.3
69.03426	0.2
70.05280	0.4
71.01340	0.2
72.62131	0.1
85.02905	1.2
87.99103	0.1
91.05460	0.3
97.02857	0.3
98.20837	0.3
113.02345	0.3
119.04928	1.6
121.02864	0.6
127.03915	0.2
140.07030	0.1
145.02849	0.5
153.01834	4.1
159.02887	0.3
163.03915	0.4
168.24556	0.1
171.02843	0.3
187.03883	0.1
191.07133	0.1
203.07056	0.1
210.26028	0.1
219.05083	0.3
225.05498	0.3
229.05009	0.4
234.95177	0.1
236.46152	0.1
243.06526	0.5
252.94772	0.1
256.36990	0.1
271.06021	100.0
272.06311	0.9
410.83154	0.1
433.11353	0.7
471.09164	0.1
651.15399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03166	1.4
52.53218	1.2
53.03951	8.2
55.01870	2.2
55.05264	2.3
55.05513	27.4
57.03437	10.9
57.07072	2.2
59.04992	3.8
65.03928	5.5
67.05505	100.0
69.03077	2.1
69.03432	21.8
69.07071	15.4
70.31737	1.4
71.04989	6.2
71.56348	1.6
79.05062	2.3
79.05495	32.4
81.03056	1.2
81.03419	44.6
81.07055	55.0
83.04983	20.6
83.08621	14.7
85.02920	5.2
85.06551	4.1
91.05482	26.4
93.07040	31.8
95.04970	8.0
95.08607	36.5
97.02879	13.7
97.06538	4.5
97.10177	14.5
99.04469	3.2
103.03963	1.5
105.07029	23.7
107.04959	4.4
107.08598	23.9
109.02897	5.8
109.06535	3.6
109.10156	58.4
111.04475	7.4
111.08092	4.6
115.05453	1.6
117.07013	11.1
119.08588	17.6
121.06523	3.2
121.10143	14.5
123.08090	2.4
123.11720	6.0
125.09624	13.3
127.03940	7.3
128.06273	2.8
129.05496	8.6
129.07042	5.8
130.20444	1.4
131.08556	12.1
133.06479	2.7
133.10120	13.9
135.08064	4.9
135.11664	8.1
137.09625	3.4
137.13185	1.4
139.11179	1.8
141.06998	2.2
143.08562	7.1
145.10143	11.8
147.08029	2.6
147.11700	7.3
149.09641	2.8
149.13249	5.9
151.11172	1.5
153.09140	1.7
155.08580	3.9
155.10715	3.5
156.09314	1.4
157.06462	1.4
157.10141	5.1
159.08052	1.6
159.11743	10.0
161.09660	2.6
161.13257	4.8
163.11220	1.9
163.14828	2.9
167.08565	3.2
169.10207	3.6
171.11752	3.8
173.09604	2.9
173.11757	15.2
173.13284	6.4
175.11189	1.7
175.14850	3.5
177.12775	3.2
181.10075	1.7
183.11795	3.0
185.09740	2.2
185.13280	4.6
187.14781	2.1
189.11256	11.0
189.12779	2.5
195.11678	1.7
197.13333	2.8
201.12793	2.7
209.13388	1.8
211.11160	1.8
213.12917	2.4
221.13399	2.1
223.15068	1.7
225.12769	1.4
227.12779	11.1
229.14352	28.1
245.13875	5.6
259.20523	2.5
261.22128	8.6
263.23782	2.1
273.22372	2.9
277.21753	3.3
279.20087	1.5
299.14825	2.0
301.21637	3.7
303.23141	2.5
319.22632	2.5
327.23480	2.2
335.25821	17.0
337.27399	11.3
345.24020	1.8
351.23267	6.5
357.24460	1.8
369.24225	11.4
371.17117	6.0
373.18683	10.0
387.25131	6.5
397.92554	1.5
405.26520	5.2
443.27808	3.8
461.29089	6.8
479.30527	2.6
489.35733	7.7
505.34998	2.0
507.37036	4.6
573.37604	1.7
597.37854	6.5
615.38953	7.6
633.40009	34.6
651.40820	66.5
652.41248	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	649.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00246	2.9
53.03936	7.9
55.01879	4.3
55.05511	30.5
57.03432	14.1
59.04989	4.8
60.16369	2.9
61.02924	6.2
61.22519	2.6
65.03933	5.1
67.05508	100.0
68.72656	2.8
69.03439	24.7
69.07065	10.6
71.04994	7.4
71.55870	3.8
71.56273	3.8
73.02922	6.6
79.05495	43.3
81.03420	33.4
81.07063	49.6
83.04980	14.0
83.08631	22.2
85.02908	15.4
91.03976	3.2
91.05486	48.8
92.66325	3.4
93.07037	41.0
95.04988	13.1
95.08598	28.5
97.02877	18.9
97.06539	4.9
97.10151	16.5
99.04462	4.3
105.07035	38.0
107.08594	28.3
109.02886	5.3
109.06515	4.2
109.10165	55.7
111.04449	6.5
111.08073	4.3
115.05447	3.6
117.07037	17.9
119.08588	37.7
121.10155	18.1
123.08079	3.2
125.09652	12.9
127.03953	6.2
128.06140	3.9
129.05536	5.0
129.07008	13.7
130.28381	2.9
131.08598	32.6
133.10135	24.0
135.08092	4.9
135.11681	9.2
137.09656	4.6
141.07005	5.4
142.07741	4.3
143.08585	13.8
145.10104	26.6
147.08133	4.6
147.11688	18.4
149.13287	8.7
155.08598	9.7
157.06509	5.4
157.10170	16.7
159.07980	3.7
159.11713	17.6
161.09576	4.0
161.13264	5.5
167.08551	4.2
169.10207	8.8
171.08040	4.4
171.11684	14.3
173.09526	2.9
173.11755	13.5
173.13266	11.2
175.11180	6.0
175.14835	4.5
179.08708	4.9
181.10147	8.1
183.11729	5.7
185.13268	9.4
187.14845	4.1
189.09082	3.3
189.11215	15.5
189.85733	3.2
195.11810	5.9
197.13260	7.7
199.14832	3.3
204.27649	2.8
205.01080	3.4
209.13257	4.2
213.12894	3.2
221.09625	2.8
221.13341	3.9
227.12823	9.0
229.14305	19.1
241.19547	6.4
243.20958	4.9
245.13863	5.2
259.20618	13.7
261.22348	4.4
271.20618	4.1
301.21582	6.0
313.21609	4.0
325.21857	4.4
333.24323	10.7
335.26096	4.9
349.21716	5.1
351.23257	6.9
367.22479	8.4
369.24265	9.9
373.18491	7.5
375.25641	4.3
385.23792	7.4
441.26141	5.4
459.27359	5.8
485.32309	3.7
487.34180	76.9
513.30865	3.3
515.33545	3.3
583.36005	6.8
595.36438	23.7
613.37311	24.3
617.23444	5.3
631.38422	36.5
649.25916	32.8
649.38019	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	649.45
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25812	0.3
55.43722	0.2
58.82848	0.2
59.47305	0.2
67.13038	0.2
71.13210	0.6
81.07067	0.3
109.10168	0.2
177.37843	0.2
381.24280	0.3
601.92426	0.2
649.44989	100.0
650.45215	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	649.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28614	0.3
55.01834	0.5
55.05458	0.6
56.21323	0.4
59.04827	0.3
61.02883	0.4
67.05466	0.7
69.03388	0.7
69.07024	0.9
70.06564	0.4
70.18468	0.9
70.18855	1.3
71.01299	1.0
71.04944	0.6
73.02850	0.4
77.65646	0.4
81.03340	0.6
81.07003	0.9
81.16142	0.4
83.01057	0.6
83.08553	0.7
85.02914	2.5
86.09644	0.4
87.45737	0.4
88.26875	0.4
88.37679	0.4
91.05435	0.9
93.06985	1.0
95.08527	1.4
97.02880	0.4
98.97531	0.5
101.02299	1.4
105.06991	0.6
107.08530	0.9
108.75593	0.4
109.02821	0.7
109.10080	1.1
111.04201	0.6
119.04855	0.4
119.08537	0.8
121.10107	0.8
127.03697	1.8
133.10043	0.9
136.06175	0.4
137.05934	1.0
145.04912	1.5
155.53539	0.4
175.14833	0.5
219.35110	0.4
243.11780	0.4
245.05116	0.8
255.06389	0.4
271.17398	0.5
301.20697	0.4
304.07126	0.4
313.19690	0.4
341.23096	0.7
383.27573	1.4
399.22430	0.4
399.27301	2.3
400.16037	0.4
401.28754	9.1
421.18149	0.5
429.28290	11.4
443.29736	3.6
485.30484	0.6
524.20245	2.6
545.32965	10.9
563.34027	38.5
564.34222	0.8
605.35089	80.9
606.35645	1.8
649.34076	100.0
650.34528	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
54.98641	0.9
55.01870	1.4
55.05508	1.3
56.96551	1.0
59.04985	1.0
67.05495	2.1
69.03442	1.9
69.07063	2.3
70.06576	1.9
71.04971	0.9
71.57116	0.8
79.05494	1.6
81.03423	1.3
81.07052	3.4
83.04980	1.0
84.04462	0.8
84.08127	0.7
84.25175	0.7
85.02912	3.6
85.06532	0.8
86.09715	1.6
91.05474	5.9
91.66851	0.8
93.07056	7.3
94.06553	3.4
95.04945	2.3
95.08597	2.4
97.02866	2.1
97.06515	1.2
98.97594	1.9
103.05450	1.0
105.07007	2.6
107.04918	0.9
107.08582	2.1
108.08109	2.2
109.02879	1.9
109.06508	1.6
109.10147	1.1
110.06009	1.2
110.97554	1.2
111.08100	4.3
117.07033	0.9
118.06513	0.7
119.04925	1.4
119.08559	1.4
120.08134	1.3
121.06493	2.6
121.10150	1.1
122.06055	5.9
123.04440	1.0
124.07571	1.5
127.03918	2.7
131.04929	0.9
131.08551	1.0
132.08087	1.3
133.10094	1.7
134.09665	5.0
135.08057	3.1
135.11690	0.8
136.07607	10.3
137.05965	3.1
138.09096	1.2
140.07047	4.5
144.08069	1.3
145.02777	1.1
145.05042	0.8
145.10152	1.3
146.06017	1.0
148.07549	2.1
150.09138	3.5
151.07590	0.8
152.07037	1.2
152.10646	3.6
154.05060	1.0
154.08653	6.9
160.07550	1.7
162.09155	34.7
163.07542	2.6
164.07101	4.3
166.08636	3.8
171.09183	3.0
172.07635	0.9
173.10738	5.2
174.09131	2.7
176.10710	1.4
177.05554	0.8
178.08629	1.7
180.10204	31.0
187.14806	0.8
190.08617	5.6
196.07430	1.0
197.10765	0.9
198.09061	1.0
199.08737	4.0
200.07007	1.9
201.10269	4.5
203.17912	1.2
208.09702	74.0
209.10037	1.3
212.49034	0.9
213.10306	5.7
215.08205	5.5
215.11844	2.2
216.10306	0.8
218.08014	1.5
220.09691	2.8
224.07178	1.0
225.10187	3.2
226.08711	1.7
226.10860	1.6
227.08170	11.0
228.08939	1.9
229.09622	1.4
237.02711	1.2
237.10223	1.2
239.11807	2.4
241.09734	12.8
242.10522	0.9
243.11316	14.6
245.09261	4.7
246.07632	3.2
251.08156	1.2
251.11786	1.5
253.09779	1.4
255.06581	1.5
257.09192	2.9
259.10773	13.3
263.11771	2.1
264.08804	1.1
265.09665	1.6
267.11362	2.6
269.09219	12.8
271.10873	0.8
271.14420	1.7
279.07938	0.7
279.11304	2.1
283.10696	1.4
285.08734	2.7
285.12250	1.0
286.09409	1.3
287.10275	100.0
288.10678	1.2
289.11774	1.3
291.11331	1.7
293.09036	2.2
293.12473	0.9
295.10654	4.4
297.12430	1.9
298.13113	2.3
305.08020	1.0
307.10361	0.9
309.12128	1.0
309.17343	1.0
310.12930	0.9
311.10257	2.2
312.08884	1.3
313.11969	2.4
319.12939	8.7
325.11432	3.0
337.11978	3.5
339.09766	3.3
339.13333	0.9
341.11322	2.2
344.11224	1.4
353.11191	7.2
353.23602	1.3
355.12857	2.7
361.13919	1.6
365.42841	0.8
369.14447	1.0
370.15359	1.0
371.16183	1.0
379.94006	0.9
381.22751	0.9
385.14108	0.9
387.11130	0.9
387.15762	0.9
388.16547	1.6
401.25671	0.8
410.17224	6.5
416.15997	1.6
430.17566	1.4
432.19745	1.0
437.10379	0.9
442.19699	4.6
448.18710	2.3
450.19891	2.0
458.17145	2.4
460.18484	2.3
476.18338	6.9
494.19260	69.0
495.20093	0.9
501.27332	0.8
508.20773	5.5
512.20264	9.9
526.21893	82.2
527.21985	1.8
545.29865	2.9
563.30933	1.2
599.25226	8.0
605.32135	1.7
617.26178	17.3
631.27466	1.8
649.29181	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	649.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
54.98641	0.9
55.01870	1.4
55.05508	1.3
56.96551	1.0
59.04985	1.0
67.05495	2.1
69.03442	1.9
69.07063	2.3
70.06576	1.9
71.04971	0.9
71.57116	0.8
79.05494	1.6
81.03423	1.3
81.07052	3.4
83.04980	1.0
84.04462	0.8
84.08127	0.7
84.25175	0.7
85.02912	3.6
85.06532	0.8
86.09715	1.6
91.05474	5.9
91.66851	0.8
93.07056	7.3
94.06553	3.4
95.04945	2.3
95.08597	2.4
97.02866	2.1
97.06515	1.2
98.97594	1.9
103.05450	1.0
105.07007	2.6
107.04918	0.9
107.08582	2.1
108.08109	2.2
109.02879	1.9
109.06508	1.6
109.10147	1.1
110.06009	1.2
110.97554	1.2
111.08100	4.3
117.07033	0.9
118.06513	0.7
119.04925	1.4
119.08559	1.4
120.08134	1.3
121.06493	2.6
121.10150	1.1
122.06055	5.9
123.04440	1.0
124.07571	1.5
127.03918	2.7
131.04929	0.9
131.08551	1.0
132.08087	1.3
133.10094	1.7
134.09665	5.0
135.08057	3.1
135.11690	0.8
136.07607	10.3
137.05965	3.1
138.09096	1.2
140.07047	4.5
144.08069	1.3
145.02777	1.1
145.05042	0.8
145.10152	1.3
146.06017	1.0
148.07549	2.1
150.09138	3.5
151.07590	0.8
152.07037	1.2
152.10646	3.6
154.05060	1.0
154.08653	6.9
160.07550	1.7
162.09155	34.7
163.07542	2.6
164.07101	4.3
166.08636	3.8
171.09183	3.0
172.07635	0.9
173.10738	5.2
174.09131	2.7
176.10710	1.4
177.05554	0.8
178.08629	1.7
180.10204	31.0
187.14806	0.8
190.08617	5.6
196.07430	1.0
197.10765	0.9
198.09061	1.0
199.08737	4.0
200.07007	1.9
201.10269	4.5
203.17912	1.2
208.09702	74.0
209.10037	1.3
212.49034	0.9
213.10306	5.7
215.08205	5.5
215.11844	2.2
216.10306	0.8
218.08014	1.5
220.09691	2.8
224.07178	1.0
225.10187	3.2
226.08711	1.7
226.10860	1.6
227.08170	11.0
228.08939	1.9
229.09622	1.4
237.02711	1.2
237.10223	1.2
239.11807	2.4
241.09734	12.8
242.10522	0.9
243.11316	14.6
245.09261	4.7
246.07632	3.2
251.08156	1.2
251.11786	1.5
253.09779	1.4
255.06581	1.5
257.09192	2.9
259.10773	13.3
263.11771	2.1
264.08804	1.1
265.09665	1.6
267.11362	2.6
269.09219	12.8
271.10873	0.8
271.14420	1.7
279.07938	0.7
279.11304	2.1
283.10696	1.4
285.08734	2.7
285.12250	1.0
286.09409	1.3
287.10275	100.0
288.10678	1.2
289.11774	1.3
291.11331	1.7
293.09036	2.2
293.12473	0.9
295.10654	4.4
297.12430	1.9
298.13113	2.3
305.08020	1.0
307.10361	0.9
309.12128	1.0
309.17343	1.0
310.12930	0.9
311.10257	2.2
312.08884	1.3
313.11969	2.4
319.12939	8.7
325.11432	3.0
337.11978	3.5
339.09766	3.3
339.13333	0.9
341.11322	2.2
344.11224	1.4
353.11191	7.2
353.23602	1.3
355.12857	2.7
361.13919	1.6
365.42841	0.8
369.14447	1.0
370.15359	1.0
371.16183	1.0
379.94006	0.9
381.22751	0.9
385.14108	0.9
387.11130	0.9
387.15762	0.9
388.16547	1.6
401.25671	0.8
410.17224	6.5
416.15997	1.6
430.17566	1.4
432.19745	1.0
437.10379	0.9
442.19699	4.6
448.18710	2.3
450.19891	2.0
458.17145	2.4
460.18484	2.3
476.18338	6.9
494.19260	69.0
495.20093	0.9
501.27332	0.8
508.20773	5.5
512.20264	9.9
526.21893	82.2
527.21985	1.8
545.29865	2.9
563.30933	1.2
599.25226	8.0
605.32135	1.7
617.26178	17.3
631.27466	1.8
649.29181	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	649.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01869	1.7
55.05513	1.3
56.65241	0.8
56.96555	1.0
59.04990	0.7
67.05489	2.5
69.03436	1.9
69.07058	1.9
70.06587	1.5
71.04984	0.9
71.27900	1.0
72.08154	1.0
79.05466	2.4
81.03413	1.6
81.07056	2.9
85.02892	2.7
85.06542	1.4
86.09684	1.1
87.04451	0.8
89.06047	0.9
91.05499	5.9
93.07041	6.5
94.06562	2.3
95.04964	2.6
95.08601	1.9
97.02893	1.5
97.06538	1.1
97.14799	0.6
98.97569	2.0
99.04481	0.8
105.07040	2.4
106.06576	0.8
107.08585	1.8
108.08099	2.4
109.02864	1.5
109.06493	1.4
109.10159	1.1
110.06014	1.0
110.97562	1.0
111.08081	4.9
117.06988	1.2
119.04973	0.8
119.08582	2.0
120.08118	0.8
121.06486	2.1
121.10084	0.7
122.06022	4.0
122.09679	0.8
123.04474	1.5
124.07547	1.2
126.09204	0.8
127.03912	3.2
128.98604	0.9
129.07068	0.8
132.08080	1.3
133.10097	2.1
134.06001	0.7
134.09651	4.4
135.08038	3.0
136.07594	9.0
137.05937	3.4
139.07533	0.8
140.07118	4.4
140.08032	1.0
143.08473	0.7
144.08022	1.1
145.10133	1.0
146.05995	1.0
147.04378	0.9
147.06824	0.9
147.11736	0.9
148.07565	2.7
150.09169	2.6
152.07053	0.9
152.10744	3.8
154.08655	6.2
154.99818	0.7
158.06038	0.7
160.07579	1.6
162.09145	36.4
163.07594	2.4
164.07086	3.5
166.08650	3.0
167.07091	1.1
171.09174	2.8
172.07599	1.0
173.10730	5.7
174.09184	3.1
176.10712	1.1
177.05496	0.7
178.08649	1.9
180.10204	29.5
183.84337	0.7
184.07491	1.0
185.10818	1.2
190.08687	5.1
197.10799	0.9
198.09169	2.6
199.08754	4.5
200.09467	1.3
201.10396	3.7
201.11955	0.8
202.08701	1.3
203.17865	1.2
207.06613	0.8
208.09705	73.9
213.10251	7.4
214.08708	0.8
215.08206	6.9
218.08080	1.1
219.09004	0.9
220.09726	2.1
225.10220	3.0
226.08757	1.3
226.10860	0.8
227.08176	11.7
228.08728	0.9
229.09641	0.9
237.10242	1.7
239.08206	1.2
239.11865	2.2
240.08890	1.1
241.09714	12.6
242.08122	0.9
243.11308	16.7
245.09254	4.2
246.07701	3.8
249.10312	1.1
251.08272	1.1
251.11807	0.9
253.09814	2.3
255.06602	2.1
256.06906	0.9
257.09192	2.3
259.10794	13.5
263.11783	1.5
264.08426	0.8
265.09796	3.1
267.07520	0.6
267.11325	2.7
269.09232	11.7
269.12305	1.1
271.10593	1.0
271.14395	1.5
277.09467	1.3
279.11331	1.9
281.09311	1.8
283.10712	1.8
285.08673	2.6
285.12112	1.6
286.09445	1.4
287.10272	100.0
288.10577	1.1
289.11935	1.1
289.15289	1.1
291.11249	0.8
293.09274	2.1
295.10764	3.4
297.12268	2.3
298.13068	1.3
299.14001	0.9
309.12259	1.6
309.17340	0.7
311.10272	1.8
311.19000	1.0
312.08630	1.4
313.11975	2.0
313.20435	1.5
319.12946	8.6
325.10995	2.0
337.11877	4.1
339.09619	2.4
339.13440	1.3
341.11322	1.6
344.11151	1.0
353.11322	5.6
353.23773	1.0
355.12854	2.2
355.21509	1.1
361.14127	2.0
368.13693	0.7
385.14005	1.0
388.16208	1.1
390.18423	1.0
401.26041	0.9
402.18161	0.8
410.17123	9.2
416.16028	1.1
430.17422	1.7
434.17673	1.3
442.19672	3.1
448.18488	1.6
450.20285	1.4
458.17279	1.4
460.18454	1.9
476.18182	8.2
477.16232	1.0
478.19977	1.0
494.19229	65.4
495.19601	1.6
508.20883	4.3
512.20459	8.7
515.28375	1.2
525.29315	0.7
526.21887	81.3
527.22064	1.8
545.29852	3.1
573.26898	1.0
594.77179	0.7
599.25012	7.5
605.32281	1.6
617.26111	18.2
649.29565	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	647.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05522	0.4
65.03957	0.5
67.05500	1.4
68.05042	0.4
69.07073	2.2
69.07374	0.4
69.39857	0.6
69.40268	2.9
70.06549	0.6
74.19550	0.5
79.05478	1.2
81.03403	1.3
81.07047	1.3
83.05021	0.6
85.02886	0.8
85.81466	0.4
91.05471	1.8
93.07031	1.6
94.06562	4.0
95.04972	1.1
95.08601	0.8
97.06491	0.7
98.97572	0.4
105.07018	0.5
107.08588	0.7
108.08112	0.5
108.52385	0.4
109.02873	1.1
109.10153	0.9
110.06049	0.9
112.07613	0.7
116.04968	0.8
118.06549	0.8
119.04904	0.5
119.08609	0.5
120.04485	0.5
121.06490	2.1
122.06036	13.3
122.06894	1.0
123.04398	0.5
127.03897	0.6
131.04987	0.4
135.06819	0.6
136.07591	2.4
137.05969	1.3
140.07071	15.5
143.08585	0.5
144.04430	2.1
144.08144	0.5
145.10114	1.1
146.06018	13.3
148.07535	1.0
150.05522	1.4
154.06631	0.5
155.08618	0.6
156.08112	0.6
157.08765	0.6
157.10005	0.5
158.09641	0.6
159.06841	0.6
161.07137	0.6
162.05505	1.8
162.09142	1.7
167.07153	0.6
170.09676	3.1
172.03938	11.1
172.05412	0.7
172.07582	1.2
172.11209	1.1
173.04672	2.3
174.04128	0.7
174.05524	9.3
174.09184	0.7
175.08670	1.1
178.08641	0.7
180.10188	1.3
184.07491	0.9
184.11218	1.0
186.09181	0.9
187.08676	1.0
187.12389	4.6
188.10753	0.5
189.07782	0.5
191.05779	1.9
192.06552	1.1
198.09154	20.9
199.08659	1.0
199.12274	0.7
200.09462	2.0
200.10989	0.9
204.06564	17.6
206.08121	10.2
208.09712	2.9
210.09166	1.7
211.08701	0.6
212.07558	0.5
212.10913	3.7
213.10269	1.5
214.08827	0.6
214.10797	0.7
215.11801	15.8
222.69786	0.5
225.10252	1.2
226.08688	6.5
227.08266	1.3
227.11800	5.1
228.08784	1.0
229.09749	0.5
229.13371	1.3
231.11298	1.0
237.10040	0.5
238.08717	0.6
239.08282	0.6
239.11696	0.7
240.10184	2.4
241.09697	2.8
241.13423	1.2
242.10324	3.4
243.11298	93.3
244.11664	1.2
255.06616	2.2
255.11299	19.3
256.11877	1.2
257.12857	5.4
267.11356	1.0
269.09171	0.7
272.19928	0.5
279.11267	0.7
283.10834	1.7
284.11484	1.2
285.12341	90.8
286.12686	0.8
287.10324	1.3
301.11832	11.6
302.12488	0.8
303.13403	100.0
304.13751	1.1
309.27805	0.8
311.10205	0.8
313.11761	9.8
331.12979	1.3
345.14478	5.7
365.24805	0.6
373.14474	0.5
383.12613	0.6
384.17322	0.6
385.15341	0.6
387.16806	0.7
399.26932	1.8
412.16525	0.7
428.16165	0.6
429.14294	1.8
430.17575	0.8
456.15302	0.8
471.17938	1.4
474.16599	6.3
489.18771	1.7
492.17813	1.4
506.19363	0.9
517.14313	0.7
524.20111	1.7
543.28925	0.5
571.25366	1.2
587.24677	0.7
597.23438	1.3
611.24426	0.7
615.24481	7.5
629.26093	9.1
647.34113	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	647.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.05528	0.4
67.05490	1.6
69.03423	0.8
69.07062	1.8
70.20828	1.5
70.60326	0.3
79.05493	0.8
81.03423	0.7
81.07032	1.2
83.30914	0.4
84.08121	1.1
85.02884	1.1
86.09743	0.5
91.05466	0.9
93.07042	0.7
94.06566	3.7
95.04958	0.9
95.08585	0.8
97.06550	0.7
98.97599	0.4
102.05632	0.4
105.07029	0.8
107.08569	0.8
108.04484	0.8
108.08117	0.4
109.02871	0.8
109.10162	0.6
110.06071	0.7
112.07566	0.4
112.91093	0.4
116.04936	0.7
118.06533	0.7
119.08521	0.4
120.08063	0.4
121.06501	0.5
121.10186	0.5
122.06032	10.4
123.04411	0.4
123.59952	0.4
127.03857	0.6
129.98480	0.4
130.06450	0.5
133.10118	0.4
134.06032	0.5
135.11688	0.4
136.07602	1.9
137.05933	0.8
140.07071	8.9
141.07854	0.5
144.04428	1.7
144.08054	0.5
145.02740	0.4
145.10109	0.5
146.06009	8.1
148.07547	0.4
150.05513	1.3
155.07349	0.6
155.08578	0.9
156.65904	0.4
158.05984	0.7
160.07520	0.9
161.07063	0.6
162.05482	1.3
162.09172	0.5
164.07094	0.6
169.08929	0.4
170.09651	3.2
172.03941	10.5
172.07547	1.2
172.09897	0.7
172.11272	0.9
173.04686	0.7
174.05521	4.6
174.09184	0.8
175.08653	1.4
177.05467	0.6
180.08163	0.5
183.06799	0.7
184.11223	0.8
186.09138	0.9
187.08667	0.5
187.12318	4.3
188.10744	0.4
190.04980	0.6
191.05864	0.4
192.06508	0.5
197.08478	0.6
198.09164	22.4
199.08731	0.7
199.12323	0.7
200.09138	2.0
200.10863	1.2
204.06572	17.9
206.08127	8.6
208.09805	0.4
210.09224	0.6
212.10817	4.4
213.10141	0.4
214.08542	0.4
215.11804	19.1
216.10240	0.5
222.09093	0.4
225.10164	0.9
226.08681	7.3
227.08221	0.7
227.11790	2.0
228.08936	1.5
229.09787	0.9
229.13393	0.7
231.11247	0.7
238.08743	0.4
239.11690	0.5
240.06653	0.5
240.10500	2.4
241.09740	1.4
241.13396	1.7
242.10397	0.8
243.11299	100.0
244.11639	1.4
249.10141	0.5
255.06725	2.0
255.11275	9.4
257.12872	5.7
267.11169	0.4
279.11227	0.8
283.10614	1.3
285.12338	83.1
286.12686	0.9
301.11838	10.4
302.12515	0.7
303.13394	95.5
304.13663	1.2
313.11887	3.3
331.12878	1.4
345.14536	6.0
347.16113	1.3
371.12585	0.6
383.12283	0.8
414.14261	0.5
417.90656	0.4
428.15991	0.5
430.17429	1.0
456.15610	0.6
474.16553	3.4
488.18100	0.4
489.18973	0.5
506.19104	1.5
512.20392	0.7
524.19861	0.9
571.25452	2.4
587.24591	1.3
597.23401	1.6
615.24542	9.5
616.25275	0.4
629.25110	0.8
647.26074	0.5
647.35742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.5
57.07080	16.5
59.05005	1.5
66.89458	1.1
67.05491	1.9
69.07064	3.3
69.20612	13.4
71.08633	36.7
73.06554	9.6
79.05479	1.8
81.07060	2.4
83.08627	1.7
85.10189	20.0
87.04478	10.0
89.06037	100.0
91.03996	2.1
91.05481	1.3
93.07043	1.6
95.08585	1.5
98.20773	2.4
105.07042	1.6
111.43154	1.3
117.09151	8.1
123.28589	1.5
127.14847	5.0
130.08626	3.7
131.07066	2.3
133.08607	49.0
151.14534	1.2
158.65761	1.2
161.11703	2.8
171.17418	4.9
175.09668	1.4
177.11223	21.7
182.66867	1.3
195.19543	1.3
212.20097	2.1
215.20070	11.4
221.13799	6.3
259.22775	7.0
265.16525	1.6
353.21640	1.4
485.35950	1.6
503.30392	2.6
629.44604	8.5
646.37140	2.6
646.46893	9.0
647.34137	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	647.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.2
55.01863	1.2
55.05511	4.1
56.42685	0.9
57.07065	1.5
58.79042	1.0
65.03936	1.4
65.28695	1.1
67.05505	3.8
69.03426	2.3
69.07083	5.0
69.81644	5.5
70.06579	1.6
79.05506	3.1
81.03441	1.1
81.07058	3.9
82.54038	1.0
83.08615	9.3
84.04509	1.2
84.08955	1.7
85.02895	4.4
86.09698	1.2
89.06026	2.4
91.05485	10.1
93.07043	7.8
94.06564	4.2
95.04971	4.6
95.08611	3.2
97.02896	1.6
97.06553	1.5
97.10172	2.2
98.10561	1.2
98.21498	1.5
98.97517	1.3
99.04456	1.4
105.04495	1.4
105.07042	1.5
105.21983	1.1
106.06570	2.4
107.08583	1.4
108.08125	3.1
109.02865	2.4
109.06516	1.1
110.06068	1.4
111.08113	5.4
117.06997	2.5
119.04944	1.6
119.08553	1.4
121.06519	1.7
121.10166	1.5
122.06026	4.4
127.03912	1.2
132.08067	1.7
133.08588	1.7
134.06056	3.4
134.09673	6.2
135.08049	3.0
136.07574	7.7
137.05998	4.6
138.09149	1.8
140.03430	2.9
140.07065	3.5
144.08102	1.3
145.10196	1.1
146.06075	1.2
147.06810	1.3
148.03972	1.7
149.06035	1.3
150.09206	1.5
152.07094	1.7
152.10712	3.8
154.04991	4.3
154.08644	2.7
162.05505	2.3
162.09149	32.5
163.07529	2.8
164.07088	2.3
164.81252	1.0
167.07289	2.1
172.03947	1.5
172.07635	1.3
177.05402	1.3
180.10204	27.9
182.09698	1.7
183.09294	1.4
184.07477	2.0
184.09921	1.5
186.09201	1.9
190.08615	5.9
199.08665	3.7
199.12305	2.9
208.09711	75.6
210.09331	1.4
211.08685	10.3
212.09509	3.4
213.10194	2.6
215.20172	1.5
223.12369	1.4
225.10263	5.4
226.08644	1.6
227.08273	1.6
227.11810	25.2
229.09619	1.3
237.10260	5.5
238.10823	1.4
239.11749	3.2
241.09616	2.1
241.13367	2.3
243.11234	2.0
249.10315	2.3
250.10944	1.6
251.08197	2.4
251.11821	3.6
253.09727	3.8
255.06464	11.6
255.11209	2.5
257.12875	1.6
263.11783	1.7
265.09818	4.5
265.13351	3.5
266.08020	1.5
267.11340	4.7
269.09970	1.7
269.12885	32.5
271.10806	3.2
279.11356	7.3
281.09381	1.4
281.12808	1.6
283.10715	6.1
284.09030	1.5
285.12366	10.7
286.13217	2.9
287.10461	3.8
287.13876	28.1
290.13135	1.3
293.09241	11.7
293.12454	2.0
297.12546	1.6
301.11887	3.7
303.13565	1.9
311.10364	17.9
311.13989	3.2
312.08511	5.9
314.13138	2.1
314.98761	1.1
315.10834	1.3
317.12018	1.5
320.13980	1.8
321.12204	2.8
323.13989	3.3
324.14655	2.1
325.12094	1.8
327.13779	1.2
329.11349	8.0
330.09177	7.0
330.12878	2.5
332.13831	1.4
343.12894	6.2
344.11038	8.7
346.11975	1.7
347.12442	14.3
348.13272	1.6
351.13412	2.4
353.14957	4.0
360.13354	2.2
361.14029	9.2
362.14944	4.1
365.11298	1.8
370.11658	1.5
372.13553	2.3
374.15283	1.2
383.15930	3.9
385.17630	3.6
386.15295	1.6
388.12970	6.2
389.13644	2.1
390.14621	6.6
398.15073	2.5
406.14008	6.3
407.14670	1.5
408.15616	13.1
414.14490	2.6
416.15912	2.4
420.15332	1.3
430.17645	1.7
432.15378	1.4
438.16467	1.8
440.17615	3.1
442.14032	1.4
456.15692	1.6
460.15250	1.2
468.35577	1.8
472.15897	1.1
474.16263	1.7
474.20618	1.8
475.20926	1.2
476.18726	1.3
492.21521	1.4
504.17621	1.7
506.23346	5.1
523.23450	1.4
524.24042	2.6
551.22675	1.9
561.21356	1.8
569.24139	1.9
571.24878	2.8
579.22510	8.2
597.23456	27.2
598.21881	2.2
603.22687	2.0
611.24658	4.2
615.24487	100.0
616.23590	2.6
629.26233	7.7
647.27429	19.1
647.37341	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	645.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
57.03447	0.6
57.07080	2.9
60.45945	0.5
67.05526	1.1
69.07076	0.5
71.08647	1.4
78.12932	0.5
79.05490	1.0
81.07066	1.3
83.08569	0.5
85.10162	0.6
85.88343	0.5
89.06014	0.8
89.15898	0.5
95.08611	1.2
99.21701	0.5
105.06996	0.5
126.23744	0.5
159.75548	0.6
313.27487	1.2
333.20316	4.1
389.22934	4.1
439.53061	0.5
580.32562	0.6
645.47083	100.0
646.47559	1.8
660.78516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
57.07077	95.3
59.05003	13.0
67.05525	1.1
69.07066	2.0
71.08633	64.2
73.06557	3.7
83.08605	1.5
85.10184	49.4
87.04473	10.6
89.06033	100.0
91.05480	1.2
91.07616	1.0
97.10177	2.1
98.21622	1.1
99.11737	8.8
103.07581	7.3
107.07072	2.1
113.13301	2.5
117.09148	3.8
130.08681	1.8
131.07059	5.7
133.08604	79.0
141.16374	0.9
145.00423	0.8
155.17917	4.8
175.09628	5.0
177.11229	38.2
188.94051	0.7
213.22198	6.3
219.12303	2.1
221.13814	10.0
239.14848	1.3
244.00252	0.8
257.24692	7.6
265.16470	3.9
283.17621	2.1
309.19223	2.6
327.20169	2.8
327.40118	0.8
353.21924	0.9
371.22980	3.0
397.24246	1.4
415.25372	20.5
455.28455	3.9
469.66202	0.9
627.46442	4.3
644.49390	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	645.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
57.03439	0.5
57.07079	16.8
58.04229	1.6
59.05005	6.5
67.05502	1.4
69.07063	1.3
69.18471	1.2
69.18893	2.0
71.04991	0.7
71.08636	12.0
72.05774	3.3
73.02930	1.8
73.06556	4.0
79.05500	0.7
81.07060	1.5
82.07861	0.3
83.08617	0.9
85.10184	10.8
86.07375	0.4
87.04466	5.6
88.05252	0.4
89.06028	4.9
90.01920	8.1
91.05495	0.6
93.07062	0.8
95.08615	1.0
97.10172	1.1
99.11736	1.8
101.06073	0.8
102.05557	0.4
103.07591	3.0
107.08622	0.5
109.10169	0.5
111.51561	0.4
112.07253	0.4
113.13372	0.5
115.07557	0.5
116.08369	1.0
117.09136	2.7
118.61472	0.3
119.08664	0.5
125.13300	0.4
128.16048	0.4
131.07065	0.5
133.08617	3.1
141.16420	0.5
147.10199	0.5
152.15654	0.8
155.18001	1.3
161.11736	0.7
177.11316	1.2
178.07170	1.3
183.17511	0.9
208.15501	0.9
209.13809	0.4
212.21539	0.5
213.22168	0.8
221.13943	0.4
222.09686	2.5
222.17070	0.7
223.15520	0.7
238.16460	0.6
252.18144	1.1
253.16498	0.6
257.24786	0.8
266.12430	0.5
266.19656	1.1
268.17621	0.5
271.16309	0.5
275.19928	0.5
296.20709	1.0
304.75873	0.3
310.14871	0.4
310.22360	1.5
312.20172	0.4
326.21875	0.9
340.23468	0.8
356.22794	0.4
362.32797	1.0
406.35214	1.9
416.21527	1.1
450.38080	0.6
494.40540	4.8
510.40036	0.6
538.43048	0.7
554.42615	0.5
627.46484	0.4
645.25897	100.0
645.44684	2.5
646.26184	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	644.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94831	0.5
53.00291	0.6
55.05518	1.8
57.07078	95.9
59.05004	32.2
67.05511	0.9
68.62976	0.5
69.07066	2.9
71.08634	100.0
73.06558	1.3
79.05467	0.8
81.07063	1.7
83.08608	3.8
85.10185	92.1
87.04470	8.7
87.08098	0.9
89.06035	69.3
91.05480	0.6
93.07074	0.9
95.08613	0.8
97.10172	1.6
98.21490	1.4
99.11732	12.5
101.06030	0.6
101.09656	3.1
103.07578	2.0
107.07081	1.0
107.08546	0.6
111.11720	1.2
117.09142	6.0
130.08630	1.9
131.07036	4.4
133.08607	55.9
141.16397	12.3
147.10193	1.5
160.60910	0.5
175.09616	3.3
177.11230	29.4
181.19493	0.7
191.12791	1.2
199.20578	29.2
219.12225	1.3
221.12045	0.7
221.13863	5.7
235.15404	0.9
239.14742	0.9
240.23196	2.3
246.18996	0.5
256.95813	0.5
257.24747	12.4
265.16370	2.3
283.17615	2.9
299.51129	0.7
309.19009	0.8
327.19992	1.9
353.21506	1.6
371.22778	18.6
391.26895	0.6
411.25864	3.7
429.26950	3.6
459.28012	0.8
469.29675	1.1
627.46466	1.2
644.39807	0.6
644.49457	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	643.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06578	0.3
55.05514	2.2
56.05044	0.3
57.07056	0.6
67.05183	0.5
67.05508	8.5
69.07067	2.0
70.06587	2.7
72.08136	1.3
77.29752	0.3
79.05487	0.8
81.03429	0.3
81.07060	5.8
83.08600	1.1
84.08150	5.0
85.02903	0.4
85.06510	0.4
91.05478	2.9
93.07033	0.9
94.06494	0.3
95.08607	14.7
96.08189	0.4
97.10146	0.5
103.05450	0.5
105.07031	0.4
107.08542	0.6
109.06515	0.5
109.10158	5.7
115.05437	0.6
117.07023	0.8
118.06545	0.3
119.04974	1.4
119.08595	0.4
122.09676	0.4
123.04424	1.7
123.11683	0.4
126.12805	1.5
128.06233	0.3
129.07007	0.8
131.04935	1.6
131.08571	0.5
133.06488	0.6
136.11177	0.4
137.05971	5.9
140.14333	1.2
143.04893	1.0
143.08559	0.4
145.06488	2.0
145.10115	0.3
146.06001	0.6
147.04390	1.3
149.04738	0.9
149.05966	5.5
150.12714	0.4
151.14784	1.1
152.14322	3.0
157.06491	0.9
158.07297	0.6
159.08055	0.7
161.05991	10.0
162.05510	0.8
162.06746	0.5
163.06357	0.5
163.07564	2.6
164.07068	56.5
164.14343	0.6
171.08115	0.5
173.05954	2.3
175.06248	1.7
175.07570	4.1
176.07059	0.8
177.07808	0.9
177.09180	0.4
178.08649	1.8
187.11218	0.6
189.09126	1.2
190.08641	7.5
199.11232	0.4
201.09109	0.3
202.08629	1.2
214.08640	2.1
216.10193	2.1
217.12280	3.7
218.11761	20.1
219.13821	1.3
246.14955	1.0
250.10220	0.3
257.15210	0.4
263.11740	0.7
267.10013	0.3
281.11865	0.7
282.12637	0.6
286.17831	0.4
288.19586	32.7
289.20029	0.4
314.21136	27.0
315.21457	0.3
330.17014	0.8
337.11935	0.5
356.18515	5.6
377.17807	0.5
480.30945	0.3
520.20941	1.4
522.22479	1.0
643.37445	100.0
644.37817	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	644.385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18408	0.6
53.03946	1.7
54.93621	0.4
55.01867	1.8
55.05513	34.6
57.03437	2.8
57.07078	18.2
58.31083	0.4
59.05003	9.9
60.08167	2.8
61.02912	1.7
67.05503	3.0
68.99804	1.0
69.03432	8.8
69.07071	30.7
69.88255	2.1
70.06594	0.5
71.04989	1.7
71.07373	0.8
71.08636	3.7
73.02920	1.9
79.05494	1.1
79.94585	0.5
81.03423	9.2
81.03891	0.3
81.07057	6.4
82.31966	0.4
83.04986	1.5
83.08621	100.0
84.08134	0.8
84.08958	0.6
85.02908	18.9
85.08369	0.5
86.09708	12.6
87.00838	6.3
87.04478	0.8
89.06036	11.3
89.06563	0.8
91.03979	0.6
91.05489	2.0
93.07039	1.1
95.04980	1.7
95.08614	3.4
97.02895	7.6
97.06567	0.6
97.10172	34.6
98.98490	1.1
99.04450	4.3
103.03945	0.9
104.10727	0.5
105.01871	3.5
105.07056	0.6
105.78625	0.4
107.07064	2.9
107.08611	0.9
109.02885	9.7
109.10181	0.8
111.04453	2.7
111.11709	0.8
115.03930	0.5
117.01850	0.8
117.09126	2.9
119.08599	0.7
121.02859	1.0
121.06503	0.9
123.04432	0.7
125.00010	7.9
125.06008	0.8
127.03923	11.3
128.36096	0.5
131.08607	0.5
133.08618	1.5
135.04411	0.5
135.11578	0.4
137.05936	2.3
137.13280	0.8
139.14832	1.5
145.04956	3.8
147.10152	4.4
149.05936	0.6
151.07520	0.7
151.09705	0.8
155.14313	2.3
157.15881	24.1
159.02867	2.6
159.11707	0.5
161.06030	0.7
164.07048	2.8
165.07472	1.0
165.11217	3.3
167.07094	1.1
170.09616	3.4
170.60258	0.4
173.06061	0.6
175.16966	5.4
178.08647	0.6
184.07347	52.5
185.07999	0.6
191.07166	0.6
198.18602	0.5
205.14400	5.3
209.13809	0.8
213.03983	2.0
215.20073	19.2
216.07614	0.5
223.15477	1.0
231.05055	2.2
233.21065	1.0
273.24252	12.8
277.16544	0.4
283.18848	0.8
288.19595	1.3
289.09198	1.0
289.19919	1.2
295.05942	0.7
314.11594	0.8
314.21088	0.9
315.21487	0.5
325.07001	0.9
340.09860	0.8
361.29434	1.2
369.19150	0.7
379.30551	67.5
380.30661	0.8
463.59595	0.6
476.14966	1.2
506.16006	2.1
524.17096	0.6
530.16290	1.1
534.52533	0.6
560.16907	0.8
590.18329	1.5
601.21735	0.7
608.18951	2.1
626.20404	2.1
626.34784	3.5
644.37964	8.0
645.21362	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.05514	0.7
56.96568	23.9
57.07059	0.4
58.05996	0.3
64.05850	0.3
67.05509	0.7
69.03416	0.7
69.07076	2.3
69.22266	3.0
69.22678	0.8
71.58039	0.4
71.95275	2.9
72.96024	1.4
73.02907	0.5
74.97613	0.4
79.05473	0.7
79.71250	0.4
81.03416	0.8
81.07038	1.4
83.08605	1.5
84.08121	0.5
84.96034	0.8
85.02872	1.4
89.06037	1.8
90.72765	0.4
91.05470	1.4
93.07041	0.7
95.08591	1.0
97.02885	0.8
97.06477	0.4
97.10105	0.4
97.96883	0.5
98.97584	0.8
103.05463	0.5
105.07014	0.8
105.38508	0.3
107.08569	0.8
109.02863	0.8
109.06457	0.5
109.10155	0.5
110.97554	0.5
115.00695	0.4
119.08569	0.6
127.00665	0.4
127.03912	0.9
128.98552	0.5
131.00157	1.0
133.08586	0.8
133.10156	0.5
135.08118	0.4
137.02716	1.2
137.05962	1.4
139.00655	0.6
141.02226	1.4
145.02908	0.3
145.10196	0.4
149.01242	0.6
149.05975	0.4
151.04175	0.5
153.02219	1.3
155.03726	0.7
157.01778	0.6
159.03284	1.7
163.07497	0.5
164.07019	0.8
165.05852	0.5
167.02290	0.5
167.03734	0.5
167.07100	0.7
169.05408	0.7
171.03299	2.2
173.04829	0.8
175.07491	0.5
177.05505	0.5
178.08797	0.5
181.05038	1.2
185.01277	0.6
185.04858	1.6
187.06401	0.7
189.04272	1.1
191.06992	0.8
199.02736	1.0
199.06444	0.9
203.02316	0.5
203.05925	1.1
204.06509	0.4
211.06442	1.5
213.07948	1.0
217.03796	0.8
217.07254	0.6
221.08606	0.5
223.06567	0.4
223.10001	9.5
229.07442	1.3
231.06914	0.6
237.07916	0.4
239.09477	1.3
241.11116	67.4
242.11557	0.5
249.07909	2.7
249.16396	0.4
255.08894	0.8
259.12186	56.6
260.12390	0.4
264.12744	5.5
267.09055	14.8
269.10733	0.7
282.13901	2.6
285.10104	34.1
290.10495	0.7
299.11575	0.5
303.11166	13.4
303.34546	0.4
308.11807	2.6
323.11459	1.4
326.12836	0.5
341.12714	100.0
342.13052	0.8
359.13766	50.6
360.13895	0.6
382.15390	13.9
383.16125	0.5
395.30038	1.5
599.27521	0.6
625.29419	0.5
643.29755	18.4
644.30554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
57.07081	1.1
59.05008	0.7
61.31669	0.3
69.00943	0.3
69.07092	0.2
69.47720	0.4
69.48129	1.6
69.85054	0.3
71.08636	1.0
73.02895	0.2
85.10197	1.0
89.06068	0.4
95.54880	0.3
101.80505	0.3
119.08549	0.4
126.54456	0.3
131.27087	0.3
277.21750	0.5
288.43759	0.2
301.36984	0.3
320.21472	0.4
498.66757	0.3
643.25293	100.0
644.25610	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	643.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.6
55.05502	9.8
57.03458	2.5
57.07081	26.6
59.04998	11.7
64.76613	2.0
67.05509	18.5
69.07059	6.4
69.28880	19.2
71.08636	29.0
71.09427	2.0
73.02944	4.4
77.46450	2.0
79.05496	17.5
81.03452	3.1
81.07071	14.3
83.08606	3.9
85.10184	23.4
86.10508	3.2
87.04459	7.6
89.06037	4.5
91.05485	9.4
93.07063	17.2
95.04976	8.0
95.08608	10.0
99.11749	3.4
101.09702	2.1
103.03959	3.0
105.07041	5.9
107.04950	2.8
107.08601	11.2
109.06507	4.9
109.10167	5.6
117.07025	5.0
117.09166	5.5
119.08614	6.8
121.10169	4.6
123.08079	2.0
125.09628	2.6
131.08575	4.3
132.98730	2.0
133.10153	4.5
135.08043	2.7
135.11748	2.9
143.08591	3.1
145.10164	5.2
147.11752	3.0
151.11189	3.3
161.13240	2.9
164.10742	3.5
165.12871	2.3
165.59792	2.6
177.12758	2.3
179.14333	2.9
227.12903	2.7
233.10770	2.4
235.12187	2.2
243.22992	2.4
249.14012	2.7
273.18665	3.9
275.20157	4.8
277.21512	3.0
281.46432	2.4
291.19461	11.2
293.21054	2.5
314.16653	2.2
333.40503	2.6
335.25739	7.2
337.15448	4.3
341.19174	2.6
348.17096	2.3
349.23795	3.7
353.17679	2.7
364.18390	3.2
368.95004	2.5
376.16693	3.0
377.18430	3.1
379.19177	2.8
381.20786	3.0
393.16919	3.4
395.18539	3.9
409.20221	9.5
421.19989	3.2
422.20831	2.7
423.21671	6.9
437.19016	2.9
437.24216	3.0
443.22031	5.4
451.20807	2.9
453.22971	3.2
454.20737	2.5
461.23615	3.3
465.22284	4.2
466.21320	3.9
479.24515	7.1
481.22546	7.9
494.23544	3.3
495.28067	2.6
496.24484	8.2
497.25058	11.9
503.23700	2.7
507.23401	3.1
511.26685	8.9
512.27783	6.5
522.23517	2.7
523.23199	5.2
524.24237	3.2
527.26178	2.4
539.26697	27.7
555.26233	3.0
557.27313	3.6
567.25958	20.7
583.25647	16.2
584.26776	2.7
599.28711	100.0
601.26276	10.6
611.25153	31.6
625.26068	4.8
625.44385	12.9
643.26941	28.0
643.45355	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	643.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96658	0.3
53.61563	0.2
55.05541	0.5
57.07121	0.4
67.05508	1.8
69.07116	0.4
71.08658	0.6
79.05493	1.4
81.07058	1.5
91.05553	1.1
93.07148	1.1
95.08633	1.3
95.31812	0.2
95.77766	0.2
97.06605	0.5
97.10263	0.3
99.08131	0.4
100.69918	0.2
105.07127	0.9
107.05022	0.3
107.08673	0.6
109.10252	0.5
117.07068	0.3
119.08668	0.6
121.10208	0.5
129.07121	0.3
131.08659	0.3
133.10210	0.5
143.08595	0.3
143.19174	0.2
145.10228	0.3
147.11703	0.4
149.09763	0.4
171.11734	0.3
259.20859	0.3
263.34430	0.3
271.24042	0.2
273.18649	0.4
274.18869	0.3
275.20270	0.4
291.19751	0.5
299.15329	0.3
396.12463	0.6
397.12943	1.3
398.14667	0.4
410.13873	1.5
411.14563	3.8
412.15488	2.0
413.16562	0.7
423.15149	0.4
424.10764	0.4
424.16333	1.3
425.16196	7.4
426.16934	5.6
427.17502	0.4
428.18625	0.8
437.12051	0.4
438.13455	1.6
439.13403	5.9
440.19040	2.6
441.19302	20.9
442.19772	0.5
451.18246	0.4
452.14212	2.1
453.15192	6.9
454.16034	2.1
456.18356	0.4
456.72159	0.3
457.15161	0.4
463.13965	0.8
464.15216	0.3
465.15891	0.5
466.17239	0.5
467.17227	17.6
468.17987	7.9
469.18869	9.9
471.16489	0.4
480.17776	0.4
481.14893	12.0
482.15488	2.3
485.18753	0.5
494.18320	0.4
495.15811	1.8
496.17416	9.2
497.18008	1.8
508.19016	0.4
509.18637	1.8
512.20435	0.4
514.22241	1.0
522.17535	0.7
523.19922	1.2
524.20270	0.4
527.23456	1.6
537.19348	0.5
540.20068	0.5
542.21826	0.8
555.22461	16.4
556.22974	0.3
568.18835	0.3
583.21948	100.0
584.22028	3.6
584.30731	0.3
587.25165	0.9
593.26862	1.0
611.20630	1.2
614.24225	0.4
615.24603	7.1
625.29169	2.3
625.44525	0.9
643.23883	23.0
643.46204	0.8
644.24188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.2
57.03433	4.4
57.07078	98.9
59.05004	58.8
67.05499	2.1
69.07062	3.3
71.08635	98.1
80.95261	1.1
81.07056	2.8
83.08630	3.7
85.10185	100.0
87.04459	2.9
89.06035	21.1
93.07024	1.8
94.85640	0.9
95.08611	2.2
97.10189	1.8
97.69231	0.9
98.21480	3.2
99.08101	1.6
99.11733	12.4
101.05994	2.0
101.09651	5.9
103.07593	2.1
117.09136	22.0
131.07086	1.6
131.08485	1.2
133.08624	9.6
140.84633	1.2
141.16370	12.2
146.54286	0.9
147.10127	1.2
155.17946	1.7
175.09669	1.1
175.13303	2.8
177.11232	8.4
195.12311	4.0
199.20587	33.3
235.15408	2.6
240.23245	3.4
253.16528	4.8
257.24771	42.7
271.26355	1.1
293.19800	1.2
311.20688	3.4
315.29077	5.7
369.24966	1.5
426.52783	1.0
543.97827	1.0
642.42499	1.1
642.51617	5.6
643.25256	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58355	0.3
67.05489	0.7
67.52204	0.2
69.07066	0.3
70.95840	0.6
71.10674	0.2
77.04595	0.2
79.05481	0.4
81.07037	0.6
91.05475	0.5
107.08601	0.3
119.05968	0.2
131.08568	0.2
331.47498	0.3
383.11252	0.3
384.12079	0.3
385.01224	0.3
395.11249	0.4
396.12283	1.1
397.12985	2.1
398.13806	1.1
400.15149	0.3
409.13199	1.1
410.13705	3.0
411.14554	5.7
412.15314	4.0
413.16031	2.6
423.10489	0.8
423.15460	1.5
424.11188	1.1
424.16339	2.3
425.16241	13.6
426.16919	9.3
427.17749	1.8
428.18857	1.4
437.11395	0.3
437.16278	1.0
438.13205	2.5
438.17615	1.3
439.13678	16.6
440.19073	5.8
441.19305	39.5
442.20074	1.4
443.16931	0.3
451.13916	0.7
451.18973	0.4
452.14276	3.1
453.15359	18.9
454.16116	4.3
455.21365	0.6
457.14975	0.5
458.15656	0.6
463.14172	1.1
465.15695	0.7
466.11942	0.5
466.16901	0.8
467.17184	28.4
468.17944	15.7
469.18863	12.2
471.16916	0.5
472.17746	0.6
479.17377	0.4
480.17474	1.1
481.14777	15.2
482.15591	3.4
485.18240	1.0
486.18417	0.4
493.18002	0.4
494.18246	0.7
495.17017	2.8
496.17273	11.3
497.18185	2.4
498.19498	0.5
499.20441	1.6
500.20624	0.4
508.19708	0.7
509.18353	2.4
510.20996	0.4
512.20642	1.5
514.22369	3.1
522.17896	0.8
523.19690	2.0
524.20300	0.3
526.18787	0.3
527.23309	3.5
528.24084	0.5
529.24524	0.3
537.18945	0.4
539.19312	0.7
540.20038	0.8
541.20752	0.5
542.21783	0.9
545.24225	0.3
551.18829	0.4
555.22418	32.9
556.22943	1.0
568.19476	0.7
579.17542	0.3
583.21918	100.0
584.22192	3.7
586.20709	0.6
587.25122	1.9
600.21857	0.5
611.21283	1.7
614.23743	0.7
615.24518	13.7
616.24261	0.4
625.44562	0.4
643.23981	78.4
644.24237	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	642.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35548	0.6
53.03942	1.8
55.01862	1.8
55.05520	6.2
57.03442	3.2
57.07072	1.5
61.02919	2.5
65.03931	0.7
67.05509	19.0
69.03431	1.0
69.07078	6.1
70.06582	0.7
70.48665	0.8
71.04990	1.4
73.02897	0.8
79.05064	1.1
79.05498	15.2
81.03391	0.7
81.07063	17.3
82.07413	0.7
83.04978	1.2
83.08616	3.4
84.73482	0.6
85.02898	2.6
85.06545	1.0
87.04458	0.6
88.07648	0.7
91.03952	1.7
91.05482	15.3
91.79049	0.6
93.07046	15.5
94.07400	0.8
95.04978	2.4
95.08614	11.7
97.02883	1.4
97.06525	2.5
97.10164	2.8
102.09158	0.7
103.05439	0.7
104.10735	1.2
105.04582	0.9
105.06386	1.2
105.07039	17.7
106.07362	0.8
107.04967	2.5
107.08607	7.4
109.06512	2.3
109.10170	6.1
111.08099	1.3
115.05438	1.2
117.07011	9.4
117.91398	0.7
119.08590	12.1
120.08952	0.8
121.06511	4.2
121.10162	5.7
123.04486	0.9
123.08067	2.1
123.11724	1.1
125.09622	1.6
128.06210	1.2
128.40680	0.7
129.07011	7.0
131.04921	1.2
131.08580	16.7
133.06496	2.6
133.10147	7.4
135.08054	2.3
135.11693	2.9
137.05981	1.6
137.09628	1.3
141.06993	2.6
143.08563	8.0
145.06496	2.0
145.10139	10.0
146.10493	0.7
147.04466	0.7
147.08124	3.2
147.11713	3.2
149.02371	1.5
149.09644	2.0
149.13243	1.4
151.11217	0.9
155.08551	5.4
157.10104	5.6
159.08029	0.7
159.11673	3.6
161.09668	1.0
161.13234	1.1
163.11165	0.8
167.08594	1.6
169.10141	3.4
171.11732	4.2
173.09531	0.8
173.13297	2.3
175.07497	0.7
175.11250	0.9
177.12691	0.9
181.10141	2.5
182.11006	0.7
183.11731	3.1
184.07301	1.2
185.13268	2.9
187.14886	1.8
193.04985	1.9
195.11684	3.0
197.13260	1.9
199.07582	0.6
199.11227	1.1
199.14827	1.8
201.12740	0.7
201.16457	0.7
203.14359	0.9
209.13252	1.6
211.14871	2.1
213.12721	0.8
213.16409	1.3
215.14326	1.2
217.15648	0.7
223.14883	1.8
225.16406	1.0
227.12643	1.1
229.16049	0.7
232.94580	0.6
233.15411	1.0
239.17950	0.8
247.17023	0.7
257.18832	0.7
275.20151	2.0
276.20313	1.8
284.29550	1.3
287.19922	0.7
325.25262	1.8
335.23544	1.4
343.26392	2.4
350.24115	0.9
353.24765	7.4
371.25815	6.2
385.09250	2.1
389.26852	4.5
427.28568	2.7
445.29532	100.0
446.29797	1.5
463.30569	46.0
464.30783	0.9
479.28717	0.9
607.35083	0.8
623.45697	0.7
624.43140	2.1
642.36127	2.1
642.45050	9.2
655.73853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11005	0.4
53.00322	0.9
55.05517	2.1
57.03436	1.7
57.07079	100.0
59.05005	37.5
59.05320	0.5
67.05530	0.6
69.07073	1.8
69.59432	1.3
69.59849	1.6
71.08635	74.3
79.05510	0.8
81.07072	0.9
82.41813	0.4
83.08625	2.6
85.10188	59.4
86.10490	0.4
87.04478	3.2
89.06033	19.3
91.05479	0.8
93.07037	0.6
95.08617	0.8
97.10175	3.3
99.11742	12.8
101.06008	0.9
101.09669	4.7
101.11531	0.4
103.07574	1.6
107.08633	0.5
111.11745	0.9
113.13284	4.4
115.07571	0.9
117.09133	13.0
123.01883	0.5
128.85332	0.5
130.08632	0.8
131.07051	0.7
133.08612	17.7
135.10121	0.5
147.10243	0.8
147.50145	0.5
155.17947	9.8
164.23079	0.5
175.13275	1.0
177.11267	3.8
191.12732	1.0
213.22147	22.3
221.13768	1.2
239.14883	7.6
254.24706	1.8
271.26343	26.6
279.17950	1.1
297.19083	4.1
318.71939	0.5
329.30319	1.8
337.22159	1.6
355.23276	2.5
363.70407	0.4
395.26355	0.7
625.48706	0.5
642.52124	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	642.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98487	2.4
56.96552	3.8
58.06588	3.6
60.91787	2.5
69.03439	2.9
70.06588	10.1
71.56973	4.0
84.08135	3.4
85.02898	6.3
86.09664	5.3
88.11227	3.2
91.05487	4.8
98.21095	3.7
98.97611	6.5
106.06574	8.1
107.04980	3.1
111.60307	3.0
116.98623	3.2
119.04931	5.3
120.08107	3.8
123.04468	4.3
130.06538	29.8
131.04909	3.2
136.07607	4.0
137.05991	7.7
145.06479	3.1
147.04384	5.3
153.01990	3.1
158.99637	3.6
163.03996	3.3
164.07141	6.3
165.06973	6.1
167.07137	4.9
175.03957	3.8
177.05571	2.7
179.07280	3.0
179.08554	16.2
180.08118	5.6
181.04904	3.0
181.06470	3.4
181.10201	3.5
181.50967	2.7
182.09677	3.5
183.08070	11.2
184.07457	3.9
189.07004	4.5
193.06441	3.8
194.07198	3.5
194.09702	8.0
196.11403	3.2
204.08063	5.0
206.09689	12.1
207.06219	6.6
207.08075	30.6
207.09436	13.1
208.09807	8.0
209.09616	4.5
211.07555	7.5
217.06415	3.2
220.09944	4.2
221.05997	7.3
221.10780	48.4
222.11478	12.7
223.07684	5.7
223.12311	49.9
229.07472	3.8
233.10704	6.5
235.07576	57.1
235.12332	9.1
236.08167	2.7
237.09003	12.7
239.07034	18.9
239.11957	5.7
240.10422	3.4
246.04294	2.7
249.10254	13.1
252.10155	15.1
253.08534	3.0
261.10269	4.1
263.07007	7.4
267.11322	41.0
281.08084	20.1
285.12280	4.2
298.10669	25.0
299.13971	23.0
323.09811	4.3
327.08618	6.6
341.10229	4.6
344.11252	5.3
358.13065	4.3
434.14682	3.1
475.19846	2.8
520.17548	4.3
521.20697	13.8
548.22583	3.9
565.19580	5.3
566.22858	36.7
598.26044	18.4
610.21863	89.4
641.19226	2.9
642.24451	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58278	0.4
51.15928	0.4
55.01840	0.5
61.02892	0.6
65.89249	0.5
69.03395	1.2
69.26177	0.4
70.32231	1.0
78.04697	0.8
79.05451	0.8
81.03397	0.7
85.02911	2.2
86.99751	0.4
87.04456	0.6
91.05466	0.8
97.02850	0.5
107.04930	1.9
109.02885	0.5
123.04400	1.9
124.05217	1.1
127.03886	0.7
131.04903	0.9
137.05951	1.3
138.21616	0.4
143.04886	0.6
147.04451	2.8
149.05922	1.8
150.05470	0.5
152.04642	0.4
153.05455	0.8
161.05998	0.9
162.05548	2.3
164.07085	2.5
165.06924	0.9
167.07053	22.8
175.03889	1.4
177.05482	0.6
178.07776	1.1
179.07085	0.5
179.08534	2.3
181.04878	1.8
181.06398	0.6
187.03883	0.8
189.06989	2.9
192.06456	0.7
193.06496	0.6
195.08134	0.6
197.59340	0.5
204.06538	0.6
205.06548	2.9
206.07219	2.3
207.06471	0.6
207.08089	9.3
210.06693	1.6
211.07559	0.7
213.05431	0.5
217.06534	2.4
218.07248	0.8
219.08023	0.6
220.05177	1.9
221.05962	4.2
222.07364	0.7
223.07500	2.1
224.08316	1.8
225.09178	1.2
227.07039	0.8
233.05913	1.6
234.06741	7.1
234.09146	1.6
235.07558	21.8
237.05412	1.6
237.07582	0.7
238.06259	4.6
245.06044	2.0
247.07481	1.0
248.04716	1.2
249.05469	3.6
250.06180	2.1
250.08722	1.7
251.06970	4.3
251.09454	1.8
252.07831	4.8
253.08574	6.5
254.08127	0.9
255.06537	1.0
261.05319	0.8
262.06265	29.9
262.08621	1.8
263.07040	26.0
264.07452	1.7
265.04935	5.4
265.07428	2.5
266.05710	5.2
266.08109	0.9
267.06528	2.7
267.10098	1.2
269.07944	1.5
270.08682	0.6
277.04919	2.1
277.08340	0.8
278.05606	1.4
278.08212	1.1
279.06357	4.6
279.09158	2.4
280.07248	6.9
280.09787	4.3
281.08115	15.7
282.08844	2.3
283.06158	2.5
290.05542	4.5
291.06506	4.4
293.04153	0.6
293.07513	1.5
294.05087	2.0
294.07990	4.1
295.06067	2.6
295.09625	5.1
296.06473	0.5
297.07532	1.7
298.08167	4.1
298.11221	0.6
300.08914	0.6
301.10632	0.7
303.05023	0.6
304.05353	1.4
305.08154	0.5
307.08508	3.5
308.06497	13.9
308.09335	3.0
309.07440	12.6
310.07233	2.9
311.05493	2.0
312.09531	0.5
313.07236	0.9
313.10727	13.5
314.10464	1.3
323.09146	34.3
324.08618	2.9
325.09509	3.5
326.07819	8.7
329.10181	1.5
330.13409	5.5
338.10236	0.5
339.10904	0.9
340.11826	14.5
341.10208	45.2
354.13062	0.6
358.12869	100.0
359.13275	1.0
382.13251	0.6
400.13855	3.8
424.14175	0.6
436.13956	1.1
466.15158	0.9
484.16104	2.0
502.17340	5.7
520.18201	14.0
642.23950	75.3
643.24237	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	641.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88052	1.2
53.03949	5.8
55.01875	27.9
55.05512	47.3
57.03438	8.7
57.03663	1.4
57.07071	4.2
59.04979	1.5
65.03934	5.0
67.05507	78.2
69.03428	4.5
69.07069	37.7
71.04986	5.6
79.05495	76.7
81.03417	4.9
81.07059	67.8
83.04993	9.9
83.08618	22.3
85.06550	3.5
91.05486	59.8
93.07048	62.3
95.04957	11.9
95.08608	40.7
97.06537	32.7
97.10175	26.7
99.08107	2.1
103.05476	2.8
104.06267	2.0
105.04517	3.3
105.07036	61.7
107.04955	21.6
107.08598	65.0
109.06544	8.5
109.10158	24.7
111.08075	6.7
113.09668	2.3
115.05490	3.5
117.07008	26.0
119.04935	1.7
119.06075	1.4
119.08589	42.0
120.08864	1.6
121.06508	7.1
121.10151	24.0
123.08069	6.4
123.11713	7.7
125.09626	18.2
127.07586	1.7
128.06258	4.1
129.07014	13.8
131.08562	33.5
133.06488	4.2
133.10141	35.9
135.08043	6.6
135.11684	11.3
137.05986	1.8
137.09636	4.4
137.49184	1.4
141.07010	8.8
142.07758	2.2
143.08560	16.0
145.06479	3.2
145.10135	36.9
147.08061	4.1
147.11693	22.6
149.09613	28.9
149.13255	5.9
151.11189	5.2
153.09201	1.9
153.12846	1.8
155.08580	10.9
156.09311	1.4
157.10138	18.6
159.08118	1.9
159.11708	24.0
161.09645	4.6
161.13237	9.9
163.11198	16.7
167.08539	4.1
169.03316	1.5
169.10083	10.2
171.11671	11.6
173.09633	3.2
173.11845	2.7
173.13258	11.6
175.11186	3.5
175.14906	3.0
177.12790	3.9
179.08633	1.6
179.14346	5.7
179.16302	1.3
181.10112	4.2
181.12308	2.1
182.10864	2.4
183.11702	10.2
185.13289	8.9
187.11172	3.1
187.13303	2.0
187.14830	4.3
189.11235	12.3
189.12744	2.6
191.14296	2.3
195.11694	4.4
197.13293	9.1
199.14928	4.5
201.12817	2.9
201.16347	2.8
205.12341	2.1
207.11623	2.7
209.13243	4.6
209.15201	1.3
211.14903	5.1
213.16422	8.6
215.14236	1.6
219.17308	1.6
221.13258	3.3
222.32283	1.4
223.14818	2.9
225.12712	1.6
225.16417	3.9
227.12762	24.5
227.17921	4.0
229.14384	3.9
229.19395	7.6
233.18977	1.6
235.14853	2.7
237.16365	1.9
239.17934	6.1
239.68062	1.5
243.15901	2.6
247.20538	3.8
251.17973	1.9
257.19037	15.6
259.20535	2.4
273.18460	4.7
275.20078	100.0
285.22186	1.9
286.99072	1.9
291.19604	5.0
293.21194	8.8
299.20081	1.7
327.23129	2.1
331.22696	4.1
336.72000	1.4
349.23755	53.4
355.55743	1.5
363.26791	1.9
379.30121	2.6
381.27863	5.3
397.30902	2.2
419.29080	1.7
445.29459	3.7
455.31583	2.3
507.24268	3.1
511.33817	3.3
513.36755	3.6
519.32635	3.3
527.37177	2.6
529.35303	8.6
531.38452	5.4
535.23889	3.4
543.36841	2.9
549.39191	3.3
567.40295	2.6
581.27545	2.9
595.25159	6.2
605.41986	8.6
623.42993	54.0
641.29333	36.8
641.43750	53.6
642.44073	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83367	0.4
53.03949	0.5
55.05508	7.8
57.03433	0.6
57.07080	1.9
58.06605	0.5
59.04996	2.1
59.53610	0.4
61.02915	0.6
65.03933	1.6
67.05502	7.9
68.05012	1.2
69.03426	1.3
69.07070	9.1
69.57448	0.5
70.06587	1.1
71.05009	0.6
71.08640	2.6
73.20566	0.4
81.03409	1.8
81.07059	10.4
82.06594	3.4
83.08618	11.1
84.08144	6.2
85.02892	2.6
86.36812	0.4
89.06011	1.2
91.05483	28.9
92.28957	0.4
93.07043	2.7
95.04929	0.5
95.08611	17.2
96.08101	0.6
97.02888	1.3
97.10172	10.5
99.04420	0.6
99.47418	0.4
102.60379	0.4
103.07538	0.5
105.01859	0.8
105.07036	1.2
107.04979	0.5
107.08600	3.2
108.08102	0.4
109.02860	2.2
109.06529	2.1
109.10159	6.9
110.09686	0.7
111.11697	1.5
117.07008	0.5
117.09137	1.0
118.06548	0.4
119.04939	17.7
119.08578	0.8
121.06508	1.1
121.10141	2.2
123.04441	1.4
123.11718	0.8
124.11244	0.7
127.03900	1.7
131.04936	0.7
133.10100	0.5
135.11714	0.6
136.11179	0.7
137.05980	76.3
137.13246	2.5
138.06367	0.7
138.12804	0.9
145.10117	0.4
147.10138	0.7
149.05984	2.6
150.12756	0.8
151.07538	0.7
151.14813	2.2
152.14368	5.4
156.04422	1.1
157.15884	0.7
163.11162	0.5
163.14787	0.6
164.07008	0.6
164.14372	1.6
165.11298	0.4
166.07384	0.4
166.08635	8.3
171.17458	3.9
178.08652	0.4
180.17477	22.2
188.07040	1.3
192.10240	1.2
192.17482	1.1
204.10211	2.3
205.14384	0.5
218.11781	5.4
220.11206	0.6
220.13330	8.1
229.21622	1.7
273.24438	0.5
279.88583	0.4
286.18039	1.5
287.25885	1.4
288.19592	42.7
310.10788	0.9
312.19489	0.5
316.22720	100.0
317.23111	1.4
326.13843	4.1
365.11600	0.5
393.32074	3.3
461.28998	0.5
479.29684	0.6
641.35510	59.7
641.45923	73.2
642.35956	1.5
642.45819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
54.08471	2.2
55.01869	16.3
55.05265	3.8
55.05514	59.0
56.12391	2.3
57.03445	10.6
57.07074	5.9
59.05000	3.4
65.03950	4.2
67.05505	85.8
69.03420	12.1
69.07072	34.9
71.04992	8.0
71.08613	3.7
73.02904	2.4
79.05496	71.7
81.03417	6.8
81.06580	4.0
81.07060	73.6
83.04991	11.0
83.08617	29.3
85.06540	4.4
85.10141	3.2
87.04436	2.9
89.06030	3.2
91.05487	74.0
93.07047	65.2
93.07626	3.7
95.04966	15.7
95.08610	52.7
97.02888	7.3
97.06538	16.9
97.10177	36.8
98.19978	2.2
98.21523	4.5
99.08084	3.3
103.05463	4.0
105.07038	58.1
107.04963	12.3
107.08600	54.6
107.09319	1.6
109.06504	9.0
109.10150	28.4
111.08080	8.0
115.05460	4.0
117.07023	28.7
119.08592	55.5
121.06486	3.8
121.10143	25.1
123.08083	7.5
123.11703	10.1
125.09645	33.7
128.06239	8.4
129.06989	24.1
130.07797	3.2
131.08568	40.3
133.06487	5.8
133.10133	40.5
135.08046	9.3
135.11681	15.9
137.09630	5.4
141.07002	8.3
142.07724	2.6
143.08588	19.4
145.06508	2.8
145.10126	38.3
147.08031	4.9
147.11685	28.2
149.09608	9.1
149.13254	9.6
153.09105	2.5
155.08559	13.8
156.09282	2.6
157.10133	24.6
159.08052	5.5
159.11688	21.1
161.09657	4.8
161.13252	19.4
163.11153	4.2
167.08546	7.5
168.09383	3.8
169.10149	16.7
171.10345	3.9
171.11662	16.4
173.09625	3.0
173.11856	4.7
173.13242	18.8
175.14841	12.2
177.12697	3.9
179.08629	4.7
181.10126	11.5
182.11024	2.9
183.11659	16.1
185.13266	16.5
187.11147	3.6
187.14838	7.7
189.11264	13.0
189.12669	3.2
189.16338	3.1
193.10069	2.8
195.11736	11.1
197.09526	2.4
197.13322	10.8
199.11325	2.4
199.14821	9.1
201.16414	6.9
207.11749	4.5
209.13336	8.1
211.14880	6.3
213.16452	3.9
215.17958	2.2
221.13403	3.2
223.13077	10.5
223.15135	4.2
225.16399	6.6
227.12729	29.6
227.17961	3.1
229.52510	2.6
231.21112	4.0
233.13237	3.0
235.14833	3.1
237.16414	2.6
239.17928	4.1
241.19487	16.1
245.13896	2.8
245.19041	2.8
255.17564	2.8
257.19049	7.3
259.20609	32.8
273.18536	10.5
275.20071	25.0
277.21817	2.9
285.22104	4.6
289.17969	7.5
291.19537	68.9
299.23495	2.7
315.23419	3.0
333.24277	30.6
349.23877	13.5
363.26651	4.8
365.23236	24.9
379.29980	7.6
381.27753	5.7
397.31033	3.1
433.24060	3.5
469.33310	2.3
477.22836	4.1
487.24881	3.8
511.34207	5.4
513.36646	4.0
525.35687	3.5
529.35052	8.9
531.38190	8.7
543.36670	6.0
547.26563	4.0
549.25079	3.7
549.39093	6.1
550.25482	4.2
579.29541	3.6
591.26050	3.4
595.43921	3.6
605.27167	8.1
605.42102	23.3
623.28278	30.8
623.42847	100.0
641.44196	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2971
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
53.03951	0.4
55.01872	2.0
55.05518	2.6
57.03438	0.7
59.05001	0.6
62.14323	0.4
63.62356	0.4
65.03962	0.7
67.05512	6.1
69.07075	2.7
71.04998	0.6
71.08640	0.7
79.05497	5.2
81.07066	5.6
83.04990	1.0
83.08634	1.1
85.06562	0.5
89.06078	0.6
89.65530	0.4
91.05491	4.9
93.07063	4.9
95.04980	1.6
95.08621	4.4
97.06542	1.9
97.10188	0.5
105.07043	4.8
107.04980	1.5
107.08591	3.8
109.06514	1.2
109.10190	1.8
116.91659	0.4
117.07051	1.8
118.06618	0.5
119.08602	3.0
121.10155	1.4
122.09666	0.7
125.09671	0.7
129.07018	1.3
131.08580	2.6
132.08112	0.5
133.10139	3.1
135.08096	0.5
135.11743	1.4
143.08595	1.0
144.08081	0.4
145.10132	2.3
147.11743	1.7
149.09647	1.7
149.13316	0.5
157.10155	1.2
158.09669	0.4
159.11739	1.1
161.13278	0.7
169.10167	0.8
171.11720	0.9
173.10864	0.7
173.13327	1.0
176.07031	0.5
179.14320	0.6
182.09711	0.6
183.11705	0.6
184.07530	0.5
184.11415	0.5
185.10779	1.2
188.03557	0.7
195.09142	1.0
197.10739	0.8
198.11571	0.5
209.10800	1.5
210.11578	1.0
211.12369	1.5
223.12372	1.5
224.13165	1.9
225.13878	2.5
226.14644	0.7
227.11594	1.1
229.19638	0.6
235.12366	0.9
237.10283	0.5
237.13918	1.4
238.14688	1.5
239.11935	0.7
239.15495	2.0
239.17671	0.5
240.06731	0.5
247.12605	0.5
249.14046	0.6
251.08051	0.5
251.15492	1.0
257.19122	1.2
261.14041	0.6
263.15216	0.5
273.18613	0.6
274.14145	0.7
275.14288	0.6
275.20117	6.6
276.15152	1.4
277.16122	0.8
278.12860	0.5
278.16248	0.5
281.12772	0.5
286.18246	0.7
287.15521	0.9
288.15228	0.6
289.17105	0.7
290.13358	0.9
290.16663	2.6
292.18167	1.4
293.21234	1.0
299.15204	0.5
300.15079	1.0
304.14764	0.8
304.18240	1.5
305.15558	0.7
305.18994	1.8
307.10538	0.6
313.15662	1.8
314.16797	1.0
315.14722	0.5
316.14545	0.7
318.16125	1.8
319.16824	1.5
320.17856	0.7
321.12289	0.9
326.16876	0.6
330.15945	0.9
331.17517	0.7
332.17801	1.4
333.18466	0.7
334.19199	1.4
344.17810	1.0
345.18381	0.9
346.19186	1.1
348.20798	0.9
349.23895	2.7
353.15308	0.5
355.13116	0.5
356.17554	0.9
358.19418	0.6
360.20892	0.9
367.14438	0.5
368.14136	0.9
369.14932	1.1
374.18863	1.0
375.19751	1.0
377.17838	0.8
379.19296	0.7
384.17255	3.0
388.20313	0.6
389.17935	0.8
390.22202	0.6
391.19116	1.4
392.19864	3.3
393.20712	1.7
397.13879	0.5
403.19424	1.0
404.20184	1.0
405.21124	2.2
406.21521	4.3
407.22330	6.8
408.23160	0.8
412.16663	2.8
415.19138	1.2
416.20010	1.0
417.20932	1.3
418.21851	0.9
419.22610	2.9
420.23602	2.3
421.23813	7.3
422.24454	7.8
426.18137	1.2
427.18896	0.7
429.20819	1.5
431.22644	2.0
433.24069	1.8
434.17621	1.7
434.24475	6.4
435.21918	1.8
443.22333	0.7
444.18948	4.2
445.24661	0.8
447.17731	0.9
448.19531	1.5
449.23560	1.0
458.20633	1.0
459.21204	0.9
460.23099	0.9
461.18634	0.8
461.24002	0.9
462.20233	2.7
463.21289	10.3
473.23386	1.5
474.24600	0.8
475.21497	4.0
476.20435	2.3
477.23065	4.4
485.23459	0.8
487.25089	2.2
489.22900	1.6
490.23575	0.6
491.25098	2.1
494.27051	2.8
495.27722	2.5
500.19946	0.5
503.24792	1.1
505.26602	0.6
508.22772	1.5
515.25226	0.9
517.22113	0.8
518.23761	1.0
519.20685	0.7
519.27594	0.8
520.21533	1.4
522.26514	1.0
523.27332	0.9
531.23987	0.9
531.38751	0.5
532.24969	1.0
534.22260	1.1
535.25262	1.0
544.20203	0.5
545.25555	7.0
547.20074	0.6
547.27240	7.9
549.25049	15.5
550.25739	4.2
559.23334	0.8
561.21075	2.2
563.26605	5.7
564.26929	0.9
565.27710	1.4
567.26465	0.6
573.24915	0.6
576.23608	1.6
577.24677	0.6
579.30164	2.3
581.27557	1.6
591.26062	40.1
592.26172	0.9
595.29565	1.6
605.27466	6.0
609.27106	15.8
623.28699	100.0
623.42847	2.8
624.28711	2.3
626.27075	0.6
641.29620	17.8
641.44690	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	641.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.9
58.99585	1.0
67.04260	0.6
69.17704	4.7
72.04517	1.9
73.02911	0.8
74.00664	6.4
76.02229	4.0
80.05003	0.7
82.06586	1.3
83.06104	1.8
84.04514	9.8
85.04052	2.4
86.00655	1.5
87.05598	0.5
90.05038	0.9
90.05563	13.1
92.01707	6.9
96.73246	0.5
97.02904	1.0
98.00625	0.5
98.06062	1.1
99.05592	2.0
100.02192	2.7
100.04001	1.4
104.01689	0.7
107.06085	2.2
107.99432	2.4
109.07635	5.0
112.02197	1.0
113.01717	2.3
116.01682	1.5
124.03939	1.0
124.30597	0.5
125.07107	0.6
126.05527	19.3
127.05048	31.9
129.06598	1.6
130.04991	3.4
131.02751	0.5
131.99405	4.6
135.05534	1.5
136.03963	0.8
136.06180	0.5
137.06015	0.9
139.03278	4.8
140.01619	1.8
141.04829	0.9
141.06587	4.4
142.03230	1.5
143.08200	1.1
144.06575	17.7
145.06091	16.2
146.02737	0.7
153.06598	6.9
154.05016	0.8
155.08156	5.5
157.00626	0.9
158.02734	7.8
159.02258	4.1
159.07671	3.4
163.05341	1.0
163.08685	0.5
173.03889	1.2
175.05402	1.4
176.03757	3.8
177.01491	0.7
177.88213	0.6
177.99937	0.9
181.06099	7.5
185.03813	39.3
186.00452	0.9
187.05377	1.5
189.01505	1.9
191.04868	61.5
192.05057	0.7
193.06454	7.2
199.07156	8.0
207.02577	0.8
213.03311	0.6
215.04921	0.9
216.05757	1.6
221.04167	0.5
223.02084	1.9
225.03645	11.1
231.02725	4.3
231.04384	77.7
232.04662	1.2
233.05939	1.4
247.02087	1.4
249.03633	13.7
253.08194	1.0
257.06149	0.6
265.03159	4.2
270.10895	2.6
271.09213	2.2
276.04758	2.2
302.08084	9.7
320.09332	0.7
322.10608	1.2
336.06851	1.4
354.07700	0.8
383.10556	100.0
423.10062	12.1
449.11484	1.5
494.13739	4.9
512.14825	20.9
552.14447	8.4
581.68530	0.6
623.18060	6.4
641.19037	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	640.515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01881	2.4
55.05516	19.3
57.03437	3.2
57.06833	1.1
57.07084	14.6
62.49831	0.9
62.50198	0.9
65.03951	1.5
65.56740	1.0
67.05506	18.8
69.03410	1.8
69.07071	7.3
71.08639	10.4
73.51055	1.1
79.05071	1.2
79.05502	19.5
81.06641	1.4
81.07069	15.9
83.04975	2.7
83.08632	16.7
85.06538	1.5
85.10193	5.6
89.06008	1.8
91.05488	8.6
93.07055	9.3
95.05003	1.2
95.08623	11.4
97.09546	1.4
97.10179	27.4
105.07052	8.8
107.04921	2.0
107.08601	28.0
109.06499	1.5
109.10156	7.9
111.08062	1.7
117.07000	4.5
119.08601	4.8
121.06473	1.1
121.10117	2.5
123.11733	2.6
125.09641	28.8
131.08569	3.7
133.10184	5.4
133.10957	0.9
135.08060	3.7
135.11679	2.5
143.08568	1.2
143.10704	1.0
145.10181	6.7
147.11691	4.4
149.09607	2.2
153.09122	2.4
153.90207	0.9
159.11678	2.8
163.11259	1.1
171.10156	1.7
173.13277	1.4
185.13295	1.9
189.11237	14.6
201.16270	1.2
201.34483	1.0
209.45241	0.9
227.12799	100.0
229.52618	1.2
239.18069	2.3
257.19101	6.2
267.15778	1.2
275.20111	19.6
294.04239	1.2
313.27390	35.6
331.22632	4.1
349.23755	26.6
468.41891	2.7
483.36761	9.8
497.42380	1.1
587.46722	28.3
651.01642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01875	3.1
55.05513	18.1
57.03441	11.4
57.07079	37.8
63.75124	1.0
64.89165	1.2
65.03940	1.8
67.05505	47.1
69.03414	2.0
69.07069	21.5
69.18605	12.1
71.04988	3.6
71.08636	33.6
75.70814	1.1
79.05492	30.0
81.03396	3.6
81.07058	57.9
83.05002	7.0
83.08621	18.4
85.06551	2.2
85.10186	18.4
89.06052	2.2
91.05480	25.5
93.06472	2.1
93.07048	31.9
95.04973	7.0
95.08608	41.1
97.06561	8.8
97.10180	7.9
98.51257	1.2
99.08090	1.8
103.07639	1.6
105.04527	1.1
105.07027	23.4
106.47275	1.0
107.04955	2.9
107.08586	15.8
109.06525	4.0
109.10155	17.5
111.08080	2.8
111.11689	1.4
115.05439	1.4
117.07014	12.0
119.08581	16.8
121.06499	2.0
121.10159	10.7
123.08080	3.5
123.11697	6.4
125.09614	2.9
129.06990	3.7
131.08569	14.5
133.10146	14.6
135.08081	3.3
135.11705	11.4
137.09612	3.1
143.08559	2.7
145.10133	9.9
147.11690	8.3
149.09619	4.2
149.13269	7.7
155.12663	1.1
157.10120	3.4
159.11711	8.9
160.53207	1.2
161.13171	1.8
163.11182	5.9
171.11713	1.9
173.11768	2.6
173.13269	2.9
175.11160	1.6
177.12764	2.7
181.12372	1.1
185.13194	1.2
189.16519	1.1
195.13800	5.6
197.13272	1.4
199.14806	1.9
200.27736	1.3
209.98615	1.1
217.15924	1.5
227.12721	1.9
229.14380	2.6
239.17976	3.8
239.23628	4.6
247.20580	1.9
255.15904	16.1
257.19089	8.3
257.24695	1.5
267.15903	3.4
269.17459	14.5
275.20056	32.6
291.19495	1.9
293.21008	1.8
313.27359	78.8
331.22690	1.8
349.23727	19.5
367.24646	1.8
384.64136	1.1
389.60199	1.2
467.37250	3.7
493.38922	18.4
507.40448	100.0
547.43427	4.3
587.46680	16.3
605.47461	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	639.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03949	0.5
55.01871	0.3
57.03420	0.2
61.02931	0.3
65.03936	2.3
67.05495	0.6
68.99802	0.2
69.03421	0.5
69.47284	1.7
70.06580	0.3
71.05025	0.2
77.03935	0.7
79.01849	0.4
79.05480	0.5
81.03437	1.1
81.07068	0.7
82.40767	0.2
83.32320	0.2
84.08156	0.3
85.02892	1.5
86.09714	0.2
89.03900	0.9
91.05482	25.3
92.05817	0.3
93.07082	0.5
95.04990	0.3
95.08585	0.7
97.02891	0.6
97.06470	0.3
98.97581	0.4
99.04475	0.3
101.03924	0.3
103.05463	0.9
105.03384	0.7
105.07029	0.4
107.04976	0.5
107.08575	0.4
109.02847	0.7
109.10114	0.4
118.04156	0.3
119.04942	34.1
119.08582	0.4
121.02870	4.4
121.06531	0.2
121.10160	0.3
123.04435	0.2
127.03835	0.5
129.03358	0.6
130.04105	0.3
131.04942	0.8
131.08560	0.3
132.02048	1.2
133.02844	0.6
133.10129	0.3
135.04388	0.6
136.05202	0.5
137.02272	0.3
137.05995	0.7
141.01845	0.3
145.02861	1.5
147.04408	28.1
149.02376	1.2
150.03127	0.4
153.05484	0.3
157.03978	3.4
159.08026	0.3
161.05959	0.3
162.03111	0.4
163.03946	0.7
163.07428	0.2
164.04709	1.1
164.07033	0.2
165.01793	1.3
167.03345	0.4
167.07037	0.8
171.02927	0.5
175.03905	51.0
176.04387	0.3
177.01836	0.6
177.05431	0.4
179.07057	2.4
183.02945	0.3
187.03851	0.4
191.03412	0.3
192.04245	0.4
195.02924	1.2
207.06525	100.0
208.06827	0.4
210.06584	0.3
211.07564	0.3
213.05380	0.5
221.08055	0.3
227.06975	0.4
228.07829	0.4
238.06200	0.3
239.07123	0.3
243.02864	0.3
243.06631	1.2
255.06525	2.2
256.07288	3.2
267.06525	0.5
270.05301	0.5
271.06033	2.2
283.02893	0.5
283.05994	8.5
284.06781	13.0
285.07620	1.3
295.06018	4.8
295.09253	0.2
297.07452	1.2
298.04446	0.4
305.08020	0.4
307.06281	0.3
308.06888	0.4
308.10526	0.3
309.07532	0.8
311.05408	0.4
313.07053	66.3
314.07410	0.6
316.05466	0.4
323.05484	0.3
323.09030	1.0
325.07169	0.5
333.07224	0.5
337.07059	2.6
339.12167	1.4
343.08139	0.3
351.08441	0.3
351.12164	0.4
361.07068	0.9
367.08008	0.6
379.08081	2.5
397.09143	0.9
415.10123	2.8
433.11322	4.9
603.14117	0.3
621.15771	1.8
639.17206	6.8
639.27557	1.0
639.35797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81775	0.5
53.39120	0.5
55.54477	0.6
56.96297	1.1
56.96566	18.3
60.05083	0.4
69.03420	1.4
71.01367	0.8
71.56087	0.6
72.08121	0.7
72.19485	0.5
81.03407	0.8
84.96040	12.2
85.02914	3.8
97.02907	1.5
98.97586	32.8
102.97070	0.9
109.02890	0.9
110.97569	8.3
112.99098	2.6
116.97818	0.8
116.98621	11.4
124.99139	1.4
126.97056	1.0
127.03945	0.9
128.98610	7.8
130.06558	0.9
131.00169	2.0
132.99667	0.7
134.99670	2.7
136.07603	0.6
136.37546	0.5
137.05899	0.7
139.03889	1.0
140.00272	0.8
140.98593	2.0
141.01778	0.9
143.00171	9.6
144.98103	1.5
145.05006	0.8
146.99655	3.3
151.00682	2.9
153.01819	1.6
158.99669	4.7
160.99149	0.7
161.01219	10.8
162.99200	1.2
169.01740	7.0
170.99619	4.1
173.01392	0.6
176.98553	3.4
177.00729	5.6
179.00156	3.8
179.02219	2.5
182.99623	1.3
185.08282	0.6
187.02766	4.4
189.00691	2.8
191.00183	0.9
191.07304	0.5
193.01753	1.4
194.99655	21.1
195.03333	0.7
197.01263	4.7
199.02733	0.6
201.00711	5.9
206.09726	1.0
207.01755	0.7
209.01268	1.7
211.02748	1.5
213.00710	42.8
218.99883	1.1
219.01753	29.0
227.02281	0.8
231.01738	4.3
235.02759	0.7
236.02336	1.0
237.00662	9.6
237.02847	26.8
242.03397	0.6
249.00781	0.6
249.04485	0.7
251.02383	0.8
255.01743	12.2
255.04028	0.7
259.02637	1.6
260.04385	0.7
261.00714	1.8
263.02264	4.0
267.01740	0.9
273.00595	1.0
277.03891	2.2
279.01834	4.2
279.04935	0.7
281.03442	3.8
287.05505	58.0
291.01804	1.5
297.02786	2.6
303.01782	1.1
304.04321	0.5
309.02823	1.4
315.14984	2.9
321.02771	7.8
339.03891	100.0
339.07370	4.8
340.04156	0.9
357.04916	52.0
357.08585	3.5
359.13849	1.2
362.05438	1.6
363.06137	1.5
380.06696	3.7
381.04776	1.2
399.06000	1.2
463.09064	2.6
477.06754	53.5
478.07367	0.6
501.09415	1.7
553.21948	0.8
595.23499	0.7
639.11774	2.5
639.22467	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	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99637	0.7
57.70766	0.9
64.73512	0.8
71.08620	0.7
71.56610	1.0
77.55319	0.7
112.18621	0.7
128.75069	0.8
256.15152	0.8
389.18393	1.0
391.19266	1.2
392.20459	0.8
401.18155	0.9
404.20151	1.5
405.20947	3.9
406.21570	3.5
413.17984	1.1
414.18588	2.3
415.19260	3.4
417.20673	1.0
419.22571	1.9
420.23181	3.8
421.23901	7.4
428.20135	1.7
429.20801	8.9
430.21579	2.2
431.23120	1.1
433.19681	1.8
441.21497	0.9
442.21613	1.1
443.22607	6.0
444.23190	3.3
445.20306	2.4
446.20801	1.2
457.24048	3.4
458.25351	4.2
459.21893	6.9
460.22745	4.5
461.19553	6.2
471.21921	2.2
472.22598	5.3
472.28430	0.8
473.19516	1.4
475.21506	2.7
476.21945	4.9
485.23587	11.0
486.19543	1.2
486.25189	2.0
487.21646	1.0
487.36035	1.1
488.22171	2.7
491.24112	0.9
499.21332	1.5
503.24445	16.0
513.23053	1.5
514.23389	1.1
517.26251	6.2
529.26361	2.8
535.27124	21.3
545.25543	60.5
546.25934	1.0
549.25098	1.0
563.26740	4.2
573.24890	15.8
577.28143	1.4
578.29327	0.9
605.27655	58.5
637.30249	100.0
638.30768	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	639.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
56.96566	18.0
58.06573	0.7
61.02922	0.7
68.73579	0.5
69.03414	2.0
71.01364	0.8
71.56471	0.5
81.03412	0.8
84.04505	0.8
84.96039	13.0
85.02906	5.2
95.01302	0.7
97.02881	2.2
98.97585	31.4
99.04420	0.7
102.97066	0.8
107.04887	0.6
109.02896	0.9
110.07191	0.5
110.97577	8.4
112.99121	2.1
116.98621	13.4
121.02818	0.7
124.99131	1.7
127.03900	0.7
128.34784	0.6
128.98605	7.8
130.06485	0.9
131.00150	2.1
131.04955	0.7
132.99660	1.1
134.99655	2.4
135.04408	1.5
137.06023	0.9
139.03946	0.8
139.44621	0.6
140.98581	1.9
141.01857	0.7
143.00180	8.3
144.98065	2.0
145.04942	1.4
146.99622	3.5
148.85271	0.5
151.00667	4.3
153.01823	3.8
158.99628	4.6
161.01221	11.7
161.02321	0.6
169.01743	7.5
170.99648	2.3
176.98465	2.9
177.00726	3.8
179.00151	3.6
179.02277	2.1
182.99648	1.6
187.02802	4.1
189.00708	2.5
194.99673	21.5
197.01225	3.5
201.00648	6.4
206.09654	0.8
207.01678	1.4
209.01242	1.8
211.02757	1.0
213.00716	46.3
216.00470	0.6
219.01759	31.6
223.02818	0.6
225.00620	0.6
231.01724	5.0
235.02600	0.6
236.02315	1.2
237.00659	7.5
237.02829	29.6
241.04848	0.7
242.03352	0.8
245.01247	0.7
249.00655	1.1
255.01770	11.2
255.04054	0.9
259.02792	1.7
260.04379	0.9
261.00684	1.4
263.02264	4.3
267.01776	1.7
269.03433	0.7
273.00500	1.3
277.03867	2.0
278.03311	0.7
279.01831	5.3
279.04926	0.9
281.03275	3.7
287.05505	74.7
291.01672	1.5
297.02640	2.6
301.07422	0.7
303.01788	1.6
309.02780	1.1
315.14905	1.3
321.02802	7.3
339.03882	100.0
339.07394	5.4
357.04929	51.9
357.08493	2.7
359.13898	1.6
362.05551	1.6
363.05963	1.5
375.06067	0.7
380.06461	3.3
381.04892	1.4
399.05722	1.2
459.05695	0.7
463.08746	2.0
477.06711	48.5
501.09186	1.9
553.21918	0.9
595.22961	0.9
602.07819	0.7
639.12067	3.1
639.22748	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	637.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.69619	0.5
69.23765	4.4
69.24169	0.6
81.07010	0.6
93.06994	0.8
104.28505	0.5
106.06532	0.5
152.31151	0.5
195.45093	0.5
321.54599	0.5
377.17572	0.7
378.18405	0.9
386.15768	0.7
387.16122	1.0
389.18085	0.5
390.18826	0.5
391.19290	1.1
392.19995	0.7
393.20917	1.2
398.15359	0.6
399.16135	1.8
400.16833	2.1
401.17816	2.6
406.21991	0.6
407.22406	2.4
413.17569	2.0
414.18488	3.4
415.19330	7.5
416.20398	1.2
417.20743	1.8
419.18164	0.9
419.23026	0.7
421.20270	2.5
425.17657	0.9
427.14691	0.7
427.19839	1.1
428.20380	2.5
429.15817	0.7
429.21292	7.3
430.22079	2.3
435.21432	1.1
436.22595	0.8
439.19153	0.9
441.17017	1.1
442.17584	1.6
443.18274	2.8
443.22601	3.2
444.18655	3.9
445.20590	2.5
447.17944	1.1
456.19910	1.0
457.20517	3.8
458.21368	2.9
460.19473	0.6
461.19714	0.6
469.16364	0.8
471.22382	6.1
472.23352	4.3
473.19656	4.9
474.20013	1.2
484.19101	1.0
485.19870	3.4
486.20486	6.3
487.21237	2.7
488.21735	0.7
489.22791	1.4
490.19437	2.8
492.21704	0.6
498.20151	0.6
499.21378	10.5
500.23184	2.3
501.22458	0.5
502.19775	0.7
503.24985	4.2
513.19318	1.2
514.19482	1.1
516.21533	1.2
517.22351	2.8
527.20862	2.3
528.21973	1.0
531.23999	11.8
543.23950	0.8
545.21533	1.0
549.25122	1.0
559.23431	83.2
560.23859	1.3
587.22931	13.3
605.24133	0.9
619.25519	100.0
620.25909	1.4
637.26593	14.3
637.37292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.1
55.01865	0.3
55.05502	0.3
56.96554	0.2
61.02918	0.2
65.03940	0.2
66.59660	0.1
67.05495	0.4
68.99796	0.2
69.03436	0.2
69.07071	0.3
70.06589	0.2
70.74593	0.2
70.74932	0.3
71.04998	0.2
73.02905	0.3
78.53313	0.1
79.05490	0.3
81.03407	0.7
81.07052	0.6
84.08112	0.2
85.02902	0.7
85.06538	0.2
86.09699	0.3
89.06059	0.2
90.01949	0.2
91.03947	0.1
91.05486	1.4
93.07027	0.5
95.04961	0.2
95.08614	0.6
97.02869	0.3
97.10131	0.1
98.97575	0.4
99.04458	0.2
105.07018	0.5
107.04955	0.2
107.08571	0.5
109.02886	0.2
109.06498	0.2
109.10146	0.4
111.04405	0.2
112.99170	0.2
116.98561	0.1
119.04969	0.8
119.08585	0.4
120.08116	0.1
121.02846	0.3
121.10105	0.4
123.11742	0.1
127.03922	0.4
128.06224	0.2
129.07002	0.5
129.42093	0.1
131.04927	0.3
131.08574	0.3
133.02850	0.5
133.08577	0.2
133.10114	0.4
135.11681	0.3
137.02342	4.7
137.05952	0.4
143.08614	0.2
145.02827	0.9
146.09663	0.2
147.04390	0.4
147.11728	0.2
149.02333	0.4
151.07550	0.3
152.06248	0.3
153.07034	0.9
157.06474	1.0
159.11697	0.1
160.05188	0.2
160.11186	0.3
162.06741	0.2
163.03957	0.2
163.07559	0.2
165.06914	0.2
167.03320	0.2
167.07059	0.2
171.08093	0.6
173.13237	0.2
175.03941	0.3
176.04787	0.1
177.05460	0.2
178.06345	0.2
181.06477	1.6
184.05161	0.2
185.05972	0.2
190.06285	0.7
191.03424	0.3
191.06955	0.1
193.08575	0.7
197.06078	0.1
199.07552	7.6
201.16293	0.2
203.07025	1.1
203.18030	0.2
206.05710	0.3
209.05841	0.3
210.14856	0.2
211.07513	0.2
219.01801	0.5
221.08105	5.5
227.07022	3.2
230.18994	0.1
237.02855	0.5
237.05472	1.3
255.06526	100.0
256.06857	0.8
257.22534	0.2
261.02570	0.1
279.03894	0.5
323.11185	0.1
365.12265	0.5
383.12918	0.2
418.29443	0.3
474.32169	0.3
481.08688	0.6
541.10675	0.3
636.37854	1.3
637.21985	0.2
637.38647	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	635.434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.2
67.05505	0.3
67.30544	0.2
69.35572	1.4
73.57578	0.2
80.91447	0.2
81.07064	0.3
91.05499	0.3
101.75775	0.2
107.08616	0.2
109.10155	0.3
121.10178	0.2
162.10699	0.2
270.13885	0.2
382.97754	0.2
635.43408	100.0
636.43811	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	636.402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62680	0.2
60.12999	0.2
67.05514	0.5
69.18908	1.7
69.19336	0.8
69.77198	0.2
70.84386	0.2
81.07030	0.6
91.05466	0.4
93.07031	0.3
95.08606	0.6
98.20723	0.5
98.98472	2.3
107.95565	0.2
118.06537	1.1
125.00008	5.2
132.08089	0.3
144.08084	7.1
145.08841	0.4
146.09622	0.2
158.09621	3.0
159.10425	1.3
160.11137	0.4
172.11195	2.3
173.12039	0.4
174.12872	0.3
176.14352	9.3
186.12735	0.3
202.15913	82.3
203.16249	0.6
220.16968	9.5
240.10179	0.3
271.26593	0.2
300.13596	100.0
301.13870	0.8
303.22183	0.2
366.08475	0.2
618.38971	1.4
636.39948	6.3
637.25885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
59.51301	0.3
66.32603	0.3
67.05511	0.4
71.56398	0.3
95.08618	0.5
100.72902	0.3
110.92337	0.3
166.41896	0.3
200.00482	0.3
210.51500	0.3
345.12320	0.3
393.47269	0.4
461.04477	0.3
633.45508	100.0
634.45990	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	635.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26449	0.3
54.10515	0.3
55.59569	0.3
67.78188	0.3
69.37373	2.7
70.86543	0.3
82.18200	0.4
91.05464	1.2
114.39110	0.4
119.04886	0.5
125.76903	0.4
151.07504	1.3
165.06993	0.8
179.08560	1.0
182.09779	0.4
190.07735	1.2
191.08554	7.9
193.08871	1.0
195.08011	0.4
196.11176	1.1
197.11977	0.4
207.08080	1.2
208.09090	0.8
208.11214	5.0
210.09158	2.8
218.07254	1.1
219.08064	9.2
220.08890	0.8
222.09169	1.0
224.07030	2.7
224.10658	5.0
225.07881	0.4
225.11487	5.5
226.08578	0.7
234.08986	0.4
235.09898	0.7
236.08318	4.5
236.10703	10.3
237.11357	1.2
238.08620	5.4
239.09352	1.7
250.12276	0.7
251.10931	5.1
252.10170	5.2
253.10979	28.5
266.11737	3.4
268.13318	95.0
269.13574	0.7
274.06982	0.4
300.15942	100.0
301.16309	1.1
446.73682	0.5
593.11218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
57.03438	0.9
67.05494	2.4
69.03442	1.5
69.07066	1.0
69.34667	3.2
69.35086	1.6
70.06593	1.7
71.05003	0.9
79.05477	1.4
81.03403	1.5
81.07053	2.9
83.01097	0.8
83.04902	0.6
85.02899	4.0
86.67973	0.6
91.03990	0.9
91.05482	2.7
93.07061	1.2
95.04987	0.9
95.08592	2.4
97.02921	1.7
98.97585	1.2
99.04462	0.7
104.01192	0.6
104.13165	0.6
105.07043	2.3
107.05019	0.7
107.08597	1.5
109.02909	1.1
109.10163	1.4
117.07056	0.8
117.39018	0.7
119.08585	1.9
121.06511	1.0
121.10125	1.1
123.11668	0.7
126.09482	0.6
127.03847	2.7
133.10139	0.9
135.11682	1.3
137.06001	2.3
137.09740	0.7
145.04994	0.9
145.10229	0.9
164.07091	1.5
165.09207	0.7
167.07175	0.8
175.07532	0.8
185.07912	0.8
208.89560	0.7
218.43259	0.6
327.21643	1.0
359.29645	0.7
369.26099	1.7
385.25653	2.4
387.27148	10.2
415.26608	10.5
429.28284	3.9
531.31464	9.7
549.32489	41.9
591.33502	80.0
592.34155	1.4
635.32446	100.0
636.33063	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	633.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94624	1.9
56.96566	29.4
67.84716	2.0
69.98949	6.7
81.07039	2.8
83.79770	1.7
84.96053	9.6
93.07072	2.8
98.21458	2.2
98.97585	32.0
109.06542	1.6
110.97578	64.5
110.98338	3.3
112.99155	2.2
115.00706	5.0
116.98615	9.7
119.08537	2.3
122.06007	2.1
124.99105	2.4
127.00713	1.9
128.98610	45.9
137.06000	2.4
140.98602	2.6
142.51971	1.8
143.00183	5.9
143.03729	2.2
144.98102	2.6
145.01747	2.5
146.99666	15.2
147.03313	3.2
152.00244	3.2
152.98604	2.1
158.99695	7.7
161.01253	2.2
161.71039	1.7
170.99733	3.9
172.73061	1.7
177.00758	7.3
183.07002	3.2
189.00745	2.5
201.00777	4.3
201.08110	4.9
213.07961	2.1
215.09602	2.6
219.01778	21.2
221.10735	1.9
224.16287	1.6
225.11732	4.2
227.13298	3.0
229.14815	4.8
237.02809	23.5
243.12743	4.4
245.14511	3.3
247.15889	6.5
251.13188	2.2
253.14804	10.8
256.75891	1.8
265.14673	2.6
267.16464	2.2
269.14264	21.0
269.17471	2.5
271.12860	3.5
271.15808	72.2
279.16245	4.0
281.14706	2.4
281.17886	7.3
283.15833	21.8
285.17422	3.2
287.15363	11.0
287.18903	2.6
289.16888	22.3
294.17496	2.3
295.16000	4.3
295.19342	3.4
297.17532	2.3
299.18900	5.2
301.16934	9.1
309.12305	2.6
311.18890	2.1
312.18747	2.7
315.22302	3.1
321.21030	6.0
323.18842	2.7
325.17209	1.8
335.22626	4.8
337.20416	4.9
337.24258	13.2
339.22086	30.6
341.20255	3.6
349.24219	4.2
351.21964	11.5
353.23679	5.4
355.12961	1.9
355.21533	5.8
355.25305	8.9
357.23135	16.2
361.24188	8.0
362.23871	2.6
365.23914	2.7
367.17859	3.3
367.25336	9.8
369.14240	2.9
369.23267	4.9
379.25171	5.0
381.23508	2.8
383.24738	6.1
385.26260	23.7
387.15509	2.9
391.25244	20.3
393.23010	2.2
403.27353	10.0
409.26364	35.9
415.19809	2.4
427.27344	4.1
439.27597	10.0
445.28146	2.6
480.21460	2.3
481.28677	8.5
483.26041	4.0
492.21249	3.6
499.29465	99.3
501.27347	4.1
511.29355	8.1
511.63794	2.0
529.30511	100.0
547.31561	38.8
559.31537	53.0
589.32794	36.0
590.04651	2.1
601.25854	7.2
615.31049	2.4
633.32465	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	631.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
57.03432	4.0
57.07078	100.0
58.04217	10.7
59.05003	43.0
61.06076	1.7
67.05518	3.4
69.07064	5.7
69.70341	2.2
71.04996	3.1
71.08636	91.0
72.05769	22.2
73.02913	11.7
73.06560	28.4
81.07063	5.1
82.07819	3.7
83.08611	8.2
85.10188	77.7
85.32249	1.8
86.07278	2.2
87.04479	37.1
88.05243	5.5
88.07614	2.0
89.06039	41.7
90.01921	63.9
95.08608	3.3
97.10201	2.8
98.21507	6.3
99.11742	7.2
101.06045	4.3
102.06747	2.3
103.07596	21.1
105.07065	2.6
108.05625	1.9
109.10189	3.1
109.50979	2.0
116.08348	6.5
117.09135	23.5
121.08643	2.2
131.07033	5.5
133.08614	19.2
135.10136	2.9
138.14096	3.4
139.26849	2.0
141.16396	5.2
147.10158	6.0
161.11714	5.2
165.11220	3.3
169.15875	5.6
175.09665	2.6
177.11220	11.1
178.07089	10.7
178.39961	2.2
179.12758	3.8
185.18939	2.0
194.13951	3.7
198.19740	2.9
199.20554	6.2
205.10632	1.9
208.15437	6.0
209.13858	3.6
222.09769	18.3
222.17053	6.3
223.15413	3.8
224.14986	2.4
226.93460	2.3
238.16518	4.6
239.14851	2.6
243.23192	4.4
252.18021	4.4
266.12408	5.2
266.19583	4.8
271.16141	4.3
296.20724	5.5
310.22330	14.3
312.20248	3.0
325.97977	2.2
326.21863	6.3
336.87170	2.1
340.23245	5.8
348.31128	7.1
349.25867	2.0
364.30661	2.3
392.33896	11.0
416.21100	7.5
480.39026	27.6
487.76358	2.1
496.38763	3.1
508.90900	2.2
514.18665	2.2
524.41418	2.7
540.40936	6.5
631.43915	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50811	0.7
56.59806	0.7
61.76852	0.6
67.05499	2.0
68.36487	0.6
69.07088	3.1
69.57874	0.6
69.83633	1.1
69.83982	3.2
79.05505	0.7
81.07057	0.7
85.02891	0.8
91.05447	0.8
94.06565	4.6
95.04975	0.8
106.06554	1.3
108.08102	1.6
112.07619	0.8
120.08095	1.3
122.06039	11.8
124.07584	0.8
134.06018	2.9
136.06638	1.2
136.07588	14.9
138.05446	0.9
140.07076	17.6
144.04457	1.4
146.06027	10.1
146.09648	1.4
148.07581	8.0
150.09186	0.8
152.07056	2.1
162.05481	0.9
162.38120	0.6
164.07062	12.0
166.08658	11.7
168.12964	0.6
172.03926	7.2
174.05534	6.9
174.09189	0.8
176.07089	16.2
190.05016	3.5
192.06613	1.3
204.06563	9.4
206.08151	2.7
208.09732	2.1
210.11569	1.3
211.12350	2.3
216.10257	1.0
220.09825	0.6
221.10757	1.8
222.11620	1.0
223.12337	1.9
224.09329	1.3
224.12950	0.8
225.10213	2.0
227.11842	1.3
229.13353	1.0
235.08646	1.2
235.12337	3.3
236.13075	1.6
237.10188	7.8
237.13893	1.9
238.11021	10.8
239.11810	14.1
241.09808	0.8
246.07613	2.2
248.09447	2.6
249.10280	5.5
250.11043	3.3
251.11768	11.3
252.12566	1.2
253.09769	0.7
253.13365	3.8
255.11301	1.5
261.10056	0.8
261.12558	3.3
263.09164	0.5
263.11810	15.5
264.08786	1.5
264.12625	2.9
265.09766	5.0
265.13376	26.2
266.10437	1.8
266.13919	1.0
267.11292	4.3
268.12189	0.8
269.12805	2.5
271.11243	1.2
271.14417	8.0
275.11591	1.1
277.09744	5.4
277.13361	3.0
278.10306	3.5
279.11295	100.0
280.12073	6.3
281.12796	2.9
282.13498	1.8
283.10788	2.2
283.14386	1.5
284.11472	1.8
285.12402	2.8
287.13910	10.8
289.15463	2.3
291.11304	4.2
292.12033	1.6
293.12872	6.6
294.13739	1.6
295.10809	3.4
295.14420	1.9
296.11618	4.2
297.12338	60.3
298.13214	6.4
299.13983	1.3
300.12280	0.7
303.11069	1.2
309.12344	40.8
310.09543	1.2
310.13113	19.6
311.13864	4.0
313.11826	8.0
319.10825	5.1
320.11707	0.9
321.12332	9.5
323.10379	1.5
323.13828	0.9
324.11029	2.3
325.11755	3.9
326.12433	1.0
331.13095	3.3
337.11838	64.2
338.08557	0.7
338.12613	21.0
339.13419	72.1
340.14175	3.2
341.15118	1.0
345.14465	5.3
347.15991	1.0
360.17355	0.9
367.12711	1.7
369.14520	11.5
370.15366	3.1
371.16043	38.8
372.16888	1.0
374.18848	1.0
385.13901	1.9
388.16415	0.8
399.15720	0.9
400.16724	3.4
414.18301	0.7
418.17560	2.3
420.19220	0.9
432.19287	1.8
434.20511	0.8
437.19357	0.8
438.20255	4.9
442.17813	3.3
444.18985	0.9
450.20630	1.3
460.18707	61.8
461.19565	4.1
462.20349	1.1
464.18109	1.6
465.18985	2.0
466.19861	2.9
478.19791	49.7
479.20850	3.9
480.21356	10.9
492.21451	1.9
496.21014	1.3
510.22443	23.3
511.23056	1.5
512.23474	0.9
583.25635	3.6
601.26605	67.4
602.27179	1.5
633.27814	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05549	0.6
56.76921	0.4
56.96322	1.1
56.96619	12.9
57.03481	0.5
57.75842	0.5
59.05055	0.5
67.05563	1.2
68.11312	0.4
69.03483	0.6
69.07096	1.1
70.02988	0.7
71.56263	0.7
71.95322	0.5
76.02297	0.8
79.05527	1.0
81.03476	0.7
81.07112	1.2
83.06141	0.5
83.08675	0.8
84.96037	2.5
85.02945	1.0
89.06073	0.5
91.05537	1.1
93.07135	0.8
95.08701	1.2
97.02959	0.7
98.97591	7.9
99.04514	0.8
105.07106	1.5
107.08681	1.3
109.02927	0.5
109.06580	0.5
109.10231	1.3
110.97574	8.7
112.99245	0.5
113.44167	0.5
115.00810	1.7
116.98618	2.6
119.08666	0.7
124.99171	0.5
127.03982	0.6
128.98607	7.6
129.02342	2.1
131.08688	0.5
133.01843	0.9
133.10202	0.7
134.99722	0.7
137.06071	0.8
141.02290	1.1
143.00262	1.3
146.99641	2.2
147.03412	1.5
151.07616	0.6
152.00249	1.0
153.02362	0.9
155.03938	0.8
158.02802	1.0
158.99706	1.1
159.03259	1.7
159.07796	1.6
161.01225	0.7
161.04948	1.1
169.05516	0.5
170.99762	0.8
171.03368	0.9
173.04993	1.7
175.06596	0.9
177.00797	0.9
181.05498	0.7
189.07994	0.8
193.06485	1.0
194.06857	0.7
197.04944	0.7
197.08691	0.6
199.06454	1.0
201.08017	2.7
203.09738	0.7
211.06442	2.3
211.10147	0.6
211.14987	0.6
213.08157	0.6
215.05931	0.9
215.09698	1.5
217.11246	1.0
219.01682	2.4
219.09300	1.4
225.11794	2.0
227.13298	1.0
229.07631	1.2
229.11099	0.7
236.09723	0.7
237.02800	3.9
239.13309	0.7
241.11339	0.7
243.12849	2.4
245.14311	0.9
253.14751	2.5
255.12782	1.2
257.14371	1.1
265.14935	0.9
267.16531	2.0
269.14423	8.2
269.17957	1.4
271.15817	22.7
272.16260	0.5
273.13934	1.0
277.14688	0.5
279.16333	0.5
281.14273	1.4
281.17819	1.1
283.15823	8.6
283.19031	0.9
285.03833	0.6
285.17554	2.0
287.15372	4.1
289.16891	8.2
294.17627	0.8
295.16013	1.4
297.04132	1.1
297.17609	0.7
301.16827	3.4
310.17014	0.9
311.18951	0.7
312.18729	1.3
313.16772	2.9
319.19684	0.7
321.21399	0.7
323.19128	0.8
324.18738	1.0
329.21713	1.9
331.19489	0.6
333.21210	0.7
335.19354	0.8
335.22784	1.8
337.20651	2.0
339.08905	0.6
339.22208	1.2
345.21280	1.4
347.22534	5.1
349.20508	4.2
351.22266	1.7
353.23526	2.2
355.21829	1.6
361.20547	0.6
363.21997	2.4
365.19952	0.4
365.23691	10.5
365.27960	0.7
367.21671	3.9
369.23416	0.8
377.23746	0.5
381.23163	1.0
383.11252	2.8
383.24692	4.4
389.23755	1.6
407.24731	3.1
409.26263	1.4
413.22354	1.8
415.20142	1.2
419.24902	1.5
425.25586	0.5
427.19998	1.1
437.25723	2.8
450.01923	0.5
466.24866	0.7
483.26132	1.9
484.25562	1.4
493.25012	0.6
497.27356	0.5
509.27927	1.9
527.28973	100.0
528.29315	1.5
545.29828	3.1
587.31708	4.3
599.24939	1.3
613.29736	1.2
631.30847	32.9
632.31049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57946	0.6
55.01880	0.6
55.98295	0.6
65.03951	0.7
66.81998	0.5
67.05499	1.7
69.03436	0.6
69.07076	4.3
69.32885	3.7
69.33292	1.2
73.89545	0.6
80.05001	0.7
90.91208	0.6
93.05797	0.7
94.06576	5.9
95.04964	1.2
97.06593	0.7
104.04971	0.8
106.06560	0.7
108.08122	2.3
110.06022	0.8
112.07596	2.3
116.04974	1.2
118.06543	0.9
122.06037	19.7
123.04429	1.3
124.07575	2.4
134.06020	1.5
136.07619	0.8
140.07074	31.7
144.04478	3.3
146.06013	11.0
147.06760	1.0
148.07574	2.0
152.07095	1.1
152.94977	0.6
157.07094	1.1
162.05493	1.9
163.06352	0.8
164.07074	0.7
164.35622	0.6
172.02510	1.2
172.03944	16.2
172.07655	1.1
173.04793	3.6
174.05521	19.7
176.07069	7.4
178.08549	0.9
179.05359	0.7
190.05003	4.1
191.05774	1.6
195.12195	0.7
197.10748	1.8
198.09235	0.8
199.08702	1.6
199.12311	2.1
204.06570	31.0
206.08147	13.3
209.10738	1.4
210.09146	1.2
211.08629	1.8
211.11855	1.7
212.09378	1.1
213.10101	0.7
213.13617	0.7
223.08612	0.8
223.12196	0.8
224.09402	1.5
225.10175	5.1
227.11795	10.4
229.12888	1.7
231.14374	1.6
236.09267	1.6
237.10262	2.0
238.11017	1.2
239.11841	3.4
240.12469	1.0
241.09747	2.3
241.13387	0.9
243.11449	1.3
249.10205	2.0
251.08084	0.9
251.11940	3.0
253.09676	3.3
254.10556	0.8
255.11267	1.3
255.14433	1.9
261.12378	2.8
263.08325	1.3
263.11713	1.5
265.09656	2.0
266.10675	1.0
267.11258	2.0
267.14346	0.9
269.12903	10.6
271.10779	3.0
277.09705	1.3
279.11264	2.6
281.09341	1.1
283.10739	10.2
284.11539	6.9
285.12344	6.9
287.13907	27.9
288.14948	1.0
291.11288	1.3
295.10706	1.4
296.11761	0.7
297.12378	3.9
298.13068	1.1
300.12128	1.3
301.12170	2.4
302.12881	1.1
303.13422	2.4
309.12311	1.7
311.14532	0.8
312.11789	0.8
312.15128	1.0
313.11835	38.4
314.12866	2.9
315.13687	2.2
316.14557	5.1
317.15286	1.2
321.08838	0.9
323.10138	2.2
326.16501	1.1
327.13782	1.4
327.17456	0.8
328.14459	2.5
329.11572	2.5
329.15302	2.6
330.12323	2.6
330.16003	6.0
331.12875	6.8
331.16827	6.1
332.17422	1.0
336.10959	1.1
337.11771	1.3
338.12875	0.9
339.14249	0.9
341.12729	1.0
342.12375	5.0
342.15872	1.2
343.13214	3.5
343.16766	0.7
344.13934	1.7
344.17609	5.9
345.14505	19.5
347.24570	1.1
352.14816	0.7
354.12411	0.7
354.16153	1.4
355.13596	1.2
356.13971	5.5
357.14810	1.9
357.18655	1.1
358.15588	8.8
359.16254	0.7
360.17099	0.9
365.11154	1.5
365.25632	1.2
367.13199	1.0
368.13644	1.3
369.11130	1.1
369.15323	0.8
370.11700	2.1
370.15607	2.7
371.16296	0.8
372.17145	5.0
374.18881	1.0
380.13617	0.7
382.11731	2.7
383.12894	2.2
383.27411	3.3
384.13379	12.3
385.14200	3.8
386.14532	5.2
386.18799	2.2
388.16467	1.7
390.18124	4.2
391.18384	0.7
394.15482	1.0
396.17462	0.8
397.15427	0.9
398.15009	12.3
399.15710	19.7
399.20087	2.9
400.16592	30.3
402.14410	2.3
412.16592	2.3
414.18439	5.4
415.18799	1.4
416.15909	4.2
417.16809	6.5
418.17679	8.9
422.14822	0.9
430.17606	3.6
431.18802	0.9
440.16098	3.5
441.16528	1.0
442.17725	0.9
443.18790	1.3
444.15585	2.1
458.17160	32.0
459.11914	1.1
459.17957	16.9
460.18762	3.7
474.17169	1.4
490.19672	5.8
491.20551	3.2
508.20853	0.8
527.31079	6.0
545.32843	6.7
555.25726	1.6
557.23926	3.1
557.32507	1.2
568.23065	0.7
581.24158	6.8
587.34009	18.3
595.30640	0.8
599.25049	100.0
600.25098	2.2
613.31647	2.0
614.24829	1.0
631.33124	92.0
632.33008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
55.05489	0.4
56.96564	0.3
65.03955	0.5
67.05507	1.3
68.05023	0.6
69.03418	0.4
69.07073	4.0
70.38839	0.3
71.00502	0.7
79.05508	0.6
79.45174	0.3
80.05046	0.4
80.75085	0.3
81.07031	0.3
89.03937	0.3
91.05510	0.8
92.50987	0.3
93.05800	0.4
94.06571	5.9
94.07118	0.5
95.04980	0.9
97.06523	0.5
104.05000	0.3
106.06558	0.4
108.08098	1.7
110.06035	0.8
112.03955	0.4
112.07620	1.2
116.04956	0.7
118.06564	1.3
120.04422	0.4
120.08047	0.4
121.05266	0.6
122.06033	19.4
123.04416	0.6
124.07602	0.4
132.04456	0.4
134.06026	1.6
136.07617	0.7
137.05974	0.4
138.05498	0.5
140.07069	30.4
141.07732	0.4
144.04413	2.5
144.08144	0.6
145.05215	0.3
146.06012	10.1
147.06772	0.8
148.07576	2.5
152.07104	1.1
158.09694	0.3
160.07458	0.4
162.05519	2.1
163.06313	0.9
172.03946	16.3
172.07637	1.0
173.04744	2.9
174.05513	15.9
176.07069	6.0
178.08687	0.5
182.09682	0.8
183.09177	0.4
184.09920	0.5
186.09210	0.8
187.08708	0.4
190.05020	3.0
191.05795	1.1
192.06633	0.9
196.09933	0.5
197.10703	0.7
199.08771	0.4
199.12305	1.7
200.10829	0.4
204.06566	32.3
205.06998	0.3
206.08138	11.1
209.07022	0.5
209.10710	0.7
210.09273	0.9
211.08716	2.3
211.12227	0.6
212.09314	0.6
213.10210	0.8
215.11784	0.4
216.10179	0.8
223.08656	0.7
223.12244	0.4
224.09497	1.0
225.10242	5.0
226.10872	0.7
227.08368	0.5
227.11792	11.8
227.13908	0.7
234.11684	0.4
235.08737	0.5
236.09488	1.1
237.10255	2.3
238.11086	1.4
239.11844	3.4
240.12607	0.7
241.09758	1.3
241.13412	0.7
243.11313	0.8
244.09753	0.5
249.10274	1.0
251.08173	0.7
251.11821	2.7
252.12566	0.4
253.09756	2.1
255.07549	0.5
255.11320	0.9
257.40326	0.5
261.12326	1.7
263.08295	1.1
264.08987	0.8
265.09821	2.2
265.13129	0.4
267.11273	2.4
268.09717	0.6
269.09784	0.7
269.12857	10.6
271.10724	3.2
277.09891	1.2
278.10684	0.6
279.11313	1.5
280.11725	0.4
281.09067	0.5
283.10776	8.4
284.11533	5.4
285.12302	4.6
286.13306	0.4
287.13910	28.8
288.14722	0.5
289.13449	0.4
291.11389	0.5
295.10867	1.5
296.11624	0.6
297.12363	3.6
299.14221	0.6
300.12213	1.3
300.15302	0.5
301.12213	2.8
302.13095	0.9
312.15045	1.1
313.11823	32.3
314.12823	1.7
315.13657	2.0
316.14444	4.9
317.15326	0.5
321.08780	0.5
321.12503	0.4
323.10257	1.6
324.11014	0.9
325.12173	0.4
326.13162	0.5
326.16794	0.7
327.17471	0.9
328.11145	0.6
328.14328	1.9
329.11642	2.6
329.15411	2.3
330.12396	2.3
330.16092	5.2
331.12943	5.4
331.16910	6.3
332.17618	1.3
337.11783	0.6
340.14932	0.6
341.12299	0.5
342.12482	4.5
342.16174	1.1
343.13211	3.3
343.16858	0.5
344.13864	1.5
344.17673	5.5
345.14484	22.9
346.19293	0.7
352.14584	0.5
354.12469	0.6
354.16208	0.9
355.13809	1.3
356.14023	3.8
356.17874	0.6
357.14871	2.1
358.15454	6.8
358.19482	0.5
363.15646	0.8
365.11267	0.6
366.12476	0.4
367.13184	1.1
368.17914	0.7
369.11105	0.6
370.11700	1.1
370.15619	3.5
371.16406	1.2
372.17163	4.0
374.18564	0.5
380.14035	0.9
381.13672	0.4
382.11276	2.3
382.15729	1.3
383.12253	2.4
384.13400	9.9
385.14191	3.2
386.14499	3.2
386.19565	2.2
387.16287	0.6
388.16589	1.4
390.18137	4.5
391.18750	0.4
392.19754	0.7
394.15359	0.5
397.14536	0.6
398.14963	12.5
398.20004	0.7
399.15811	22.3
400.16592	29.4
401.17307	0.6
402.14267	2.3
403.19287	0.7
412.16483	1.6
413.17139	1.0
414.18237	5.7
415.18988	1.8
416.16025	2.5
417.16873	6.4
418.17633	7.2
422.15048	0.5
424.16913	0.5
430.17853	2.6
431.18448	2.1
440.16165	3.2
441.16864	1.2
442.17505	0.8
444.15616	1.9
458.17117	22.5
459.17868	12.1
460.18665	3.2
490.19748	4.2
491.20557	2.4
555.25977	1.1
557.23822	2.4
581.23895	5.0
599.25024	100.0
600.25421	1.8
631.27545	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	630.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19439	0.8
50.46241	0.7
54.16829	0.7
55.05514	2.1
55.93538	0.6
57.07080	70.4
59.05006	16.4
65.56022	0.6
69.07085	1.6
69.28963	3.7
69.29389	2.3
71.08636	65.5
73.06549	4.4
83.08627	0.9
85.10188	60.7
87.04477	11.9
87.56326	0.7
89.06037	100.0
99.11754	5.9
103.07600	6.7
107.07065	1.9
108.40630	0.6
111.11749	1.0
117.09145	3.5
130.08652	1.7
131.07059	6.3
133.08612	82.0
135.10187	0.7
141.16382	5.8
161.11801	1.1
175.09674	6.2
177.11235	36.7
199.20583	9.6
219.12337	2.3
221.13858	8.9
222.23856	0.7
223.24388	0.8
235.15579	0.8
237.13559	1.0
239.14957	1.3
243.23225	7.4
265.16577	2.5
283.17621	2.1
287.25995	1.0
297.23465	0.7
309.19174	2.2
327.20215	1.6
351.75928	0.9
353.21820	1.1
371.22882	2.7
397.24518	1.9
415.25369	19.7
415.34052	0.9
441.81491	0.7
455.28464	3.8
459.27768	0.9
481.07965	0.7
497.28513	0.7
613.45349	5.6
630.48077	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	631.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01887	1.8
55.39419	0.3
57.03429	1.3
61.02927	0.9
62.03495	0.4
65.03947	0.6
68.99780	0.9
69.03432	7.4
69.07051	0.5
69.42184	1.9
69.42603	1.1
71.04998	0.5
73.02898	1.3
75.16633	0.4
79.05483	1.5
81.03420	7.4
81.07056	1.1
85.02908	13.3
87.00834	5.0
91.03957	0.5
91.05474	1.9
93.07076	0.4
94.04205	2.5
95.04952	0.9
97.02898	4.2
99.04448	2.5
103.03934	0.8
103.05473	2.1
105.01875	2.5
105.06382	0.6
105.07041	8.6
106.02882	0.7
106.04120	0.5
106.33862	0.4
107.04965	0.6
109.02211	0.6
109.02890	6.7
109.06507	1.7
115.05457	3.1
117.01887	0.6
118.04127	0.5
122.03664	4.6
124.03945	1.6
127.03924	9.8
128.06223	1.5
129.01802	0.9
129.07030	0.5
131.04927	1.5
132.05730	0.5
133.05623	0.4
133.06520	5.3
137.05981	50.0
139.05450	0.9
141.07014	0.7
143.04950	0.8
143.06052	0.7
143.42577	0.4
145.04977	2.2
145.06458	0.6
146.03612	3.9
147.02858	0.4
147.04408	0.7
149.06017	2.3
151.03931	0.5
155.06041	0.4
156.05670	1.0
157.54401	0.4
159.02919	4.0
159.08054	1.0
160.05206	0.6
161.05986	55.5
162.06712	0.7
163.07584	0.7
164.07091	0.8
166.84131	0.4
167.05005	0.5
167.07014	0.9
171.08075	1.6
175.07584	1.9
177.05466	0.8
181.06531	0.4
184.05174	3.5
185.06033	0.9
187.07556	1.5
189.07008	0.5
190.07718	0.7
191.08475	1.9
192.09361	1.9
199.07553	13.4
202.07774	10.4
203.08568	21.8
204.09322	1.2
205.06473	1.7
205.10234	0.6
206.07390	0.5
207.08168	0.6
207.11876	0.4
213.03865	0.6
215.08578	1.4
218.07237	1.1
219.08080	6.4
220.08839	6.8
221.05916	0.5
221.09695	0.6
222.06766	0.5
229.06488	0.6
230.07315	2.4
231.08057	37.1
232.08850	8.1
233.05951	0.8
233.09618	1.0
234.06860	0.7
235.07613	0.9
235.11194	1.8
237.09152	1.2
240.08479	0.4
241.08641	0.6
242.07216	0.5
243.08133	0.8
245.09764	2.3
247.07552	5.7
248.08331	18.4
249.09076	2.2
258.06793	3.2
259.07547	28.4
260.08319	14.8
261.05301	0.5
261.08994	1.8
262.09949	1.7
263.10687	19.8
264.07828	0.4
264.11279	0.5
265.08588	2.6
268.08139	0.6
273.09149	1.6
274.10001	0.6
275.07010	3.9
275.10419	0.8
276.07819	15.7
277.08542	3.9
279.09995	0.5
280.10883	1.5
281.08218	0.5
287.13638	0.5
289.08560	1.2
290.09460	1.0
291.10156	100.0
292.10864	5.1
293.08109	4.4
295.09692	1.0
295.13327	1.7
303.10138	0.5
305.11722	0.4
307.09674	1.0
308.10403	4.9
315.09915	0.4
321.11179	2.1
322.11923	0.4
323.12787	97.7
324.13144	1.3
333.11270	1.9
335.12805	1.9
347.12747	0.5
365.13779	2.3
383.15207	0.6
403.15475	0.5
431.14905	0.9
553.17761	0.5
571.18060	0.7
599.24689	1.0
627.48083	0.4
631.33221	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	630.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01869	2.2
55.05514	15.7
55.17310	0.5
57.03438	1.9
57.07078	14.0
58.06604	0.6
59.05004	7.7
61.02923	1.5
63.79564	0.5
67.05510	6.6
68.99767	0.9
69.03436	7.8
69.07070	100.0
69.32185	0.4
71.05000	1.6
71.08643	0.9
71.56808	0.8
73.02917	1.2
75.31131	0.5
76.02208	1.0
79.05485	2.5
80.03120	0.5
81.03423	10.6
81.07062	5.5
83.04985	2.2
83.08620	49.7
83.58915	0.5
85.02907	16.3
86.09683	0.6
87.00839	6.1
87.04469	0.7
89.06033	10.4
90.05527	1.0
91.03949	0.8
91.05493	2.4
93.07062	1.8
95.04964	2.1
95.08627	2.2
97.02895	5.2
97.06534	1.0
97.10161	4.8
99.04447	2.7
101.09695	0.6
103.03952	0.5
103.07555	0.5
105.01861	4.0
105.07041	3.2
107.04954	0.8
107.07086	1.6
107.08616	1.0
107.41137	0.4
109.02885	9.0
109.03590	0.7
109.06498	1.0
109.10159	3.3
111.03809	0.5
111.04434	2.9
111.08092	0.9
111.56898	0.4
116.01729	0.6
117.01881	0.7
117.09163	2.2
119.04977	0.5
119.08600	1.7
121.06531	1.2
121.10124	0.9
123.04424	1.0
123.11694	1.0
125.13284	5.6
127.03918	10.5
129.01859	0.7
130.04951	0.5
131.08611	0.7
133.08597	2.5
133.10139	0.8
137.06007	3.1
137.09616	2.4
141.12715	3.7
143.14322	20.8
145.04964	3.1
147.02917	0.8
147.08112	0.7
147.10197	4.9
147.11366	0.7
149.06000	0.7
149.09686	0.6
151.09651	1.0
155.10658	0.7
155.14343	0.6
157.15883	1.5
158.02737	1.3
159.02870	2.5
161.15376	3.4
161.87103	0.5
164.07086	1.7
165.11266	2.7
167.07059	1.9
168.07312	0.6
172.97458	0.5
173.11713	3.4
175.16814	0.5
184.17009	0.7
185.08197	0.5
191.12880	1.0
192.09962	0.5
193.06432	4.0
193.12277	0.9
195.12271	1.5
201.18513	16.4
205.14366	4.9
209.13840	2.5
211.13277	3.1
213.03993	1.7
215.20047	0.6
219.19531	0.8
223.15456	0.6
231.05019	2.1
255.06618	0.9
259.22705	13.0
273.18314	0.5
289.09180	1.1
291.19583	2.8
307.24664	0.6
309.20715	2.2
322.10754	2.6
344.14893	1.3
347.27960	5.8
360.37799	0.6
365.28995	72.7
366.29245	0.6
383.11282	0.6
463.81714	0.5
468.57855	0.6
537.68951	0.6
612.34875	0.7
630.37207	5.3
630.46179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49440	0.6
55.05497	1.2
56.01270	0.6
57.07082	5.5
58.06590	1.6
61.02917	0.6
61.53320	0.6
62.59476	0.5
67.05507	0.8
67.44800	0.6
69.07056	0.7
70.06601	16.7
71.56588	1.0
79.05451	0.7
80.45527	0.6
81.07043	1.2
83.08595	1.0
83.77327	0.7
85.02914	0.6
85.10207	1.5
88.07635	17.5
91.05459	0.8
95.08598	1.4
102.09187	13.7
105.07053	1.3
109.10141	1.0
131.04898	1.1
149.02356	35.2
149.03362	1.5
164.07193	0.7
175.03937	0.9
177.05524	0.7
182.70314	0.6
184.20576	0.9
189.93245	0.6
193.04984	44.2
219.06657	1.4
223.04059	0.6
225.05482	0.8
228.23247	40.1
237.07608	12.0
269.04556	0.9
272.25833	0.9
297.04034	1.7
311.85706	0.8
313.07065	2.1
341.06528	8.6
359.07654	5.2
364.17816	0.8
385.09198	17.1
429.11868	23.5
589.06854	1.3
607.07928	2.5
612.34613	1.1
630.32776	100.0
631.33154	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	630.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.8
56.96572	1.4
69.03421	1.7
70.06592	1.4
71.56950	1.7
72.12330	0.8
81.03417	0.9
82.90146	0.9
84.08154	1.0
85.02909	5.2
86.09682	1.4
91.05505	1.6
94.85600	0.8
95.04975	0.8
97.02882	1.8
107.04954	1.4
109.02894	2.1
111.04463	0.9
119.04929	1.1
123.04440	18.7
127.03934	6.9
128.98634	0.7
135.04445	4.2
137.02393	5.5
137.05951	1.3
139.03914	4.4
149.02501	0.8
151.03932	13.9
151.07445	0.9
153.01849	2.3
161.02347	1.4
163.03938	5.3
163.07524	0.9
164.06894	0.8
177.05443	1.5
178.08655	2.1
179.03406	15.6
179.08937	0.8
187.03944	1.6
189.01929	1.8
189.05542	0.8
191.00146	1.1
191.03403	1.3
197.05981	0.9
201.05533	2.1
203.03462	2.1
207.02930	1.1
209.01154	1.0
210.99078	1.0
215.06985	1.4
219.06551	0.8
221.10652	1.2
223.12286	0.8
229.05026	1.7
243.06438	1.4
261.07602	2.0
266.08698	1.3
271.03061	1.2
271.06027	25.9
289.07089	100.0
290.07294	1.0
297.07739	1.2
299.05551	1.0
309.07626	1.0
310.04755	3.0
311.05527	11.5
312.06107	2.2
313.07248	2.3
323.05576	9.4
324.06131	2.7
325.06964	2.5
337.07059	5.6
338.07687	2.2
339.08698	0.8
341.06561	14.5
342.06903	1.1
349.06949	1.3
351.08606	2.7
353.06610	10.7
355.01212	1.2
355.08069	1.2
357.02823	1.7
363.08743	1.8
365.06671	7.7
367.08102	2.4
369.02936	1.8
371.03604	1.0
371.07764	3.3
373.02393	9.5
375.03946	1.4
377.06253	1.6
379.01459	2.5
379.08160	1.5
381.09540	1.3
383.04034	1.1
385.02274	3.2
387.03876	7.4
389.06296	1.0
391.03247	2.1
391.08035	1.6
395.07669	10.0
396.07693	0.8
397.02356	16.8
398.02417	1.2
399.03830	1.8
401.05817	1.8
403.03366	4.7
404.03775	0.8
405.05081	2.0
407.07541	4.9
409.02377	3.1
411.03992	2.0
415.03427	14.7
417.04932	2.2
419.07565	3.0
421.02829	0.9
425.08926	5.6
427.03421	10.6
429.04828	2.7
433.04404	2.7
437.08652	3.0
439.03024	3.6
443.09909	6.0
445.04358	7.4
447.06015	1.2
449.08759	0.9
451.03229	0.9
451.12076	4.5
455.09955	3.7
457.04416	7.9
461.08911	1.3
463.03549	1.5
469.04468	4.3
473.10776	14.2
474.11041	2.2
475.05453	2.6
479.09674	1.0
481.04428	1.2
487.05347	7.1
491.11920	3.9
497.10828	6.2
499.05588	1.7
505.06085	1.1
511.05713	1.3
515.11896	3.3
517.06927	1.0
521.10950	1.1
523.06030	1.0
527.11829	3.7
529.06543	7.3
539.11920	4.0
540.11993	0.9
541.06146	1.4
545.12805	2.5
547.07642	5.2
557.13208	4.6
559.07617	20.9
560.08069	2.3
575.13959	5.7
586.26172	1.2
593.14886	6.4
613.07043	0.9
630.25073	3.6
649.10815	5.9
650.11725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91204	2.2
51.99909	1.7
53.03936	4.8
54.09449	1.9
55.01862	5.2
55.05264	2.1
55.05512	23.4
57.03446	9.2
57.07078	28.9
59.04994	8.7
65.03934	2.2
67.05508	90.0
69.07069	22.4
69.26918	4.9
69.27341	12.2
71.05006	3.6
71.08233	2.7
71.08634	63.0
79.05497	66.4
81.03426	3.8
81.07059	78.9
83.04965	9.1
83.08619	15.8
85.06544	7.0
85.10201	15.8
87.04480	3.5
89.06030	7.2
90.01913	7.8
91.05488	48.3
93.07051	91.1
94.07353	3.1
95.04965	13.3
95.08613	64.2
97.06534	6.6
97.10155	6.3
98.03316	1.9
99.08104	24.5
105.04527	2.1
105.07037	40.2
107.04910	9.9
107.08600	46.6
109.06532	5.5
109.10164	22.5
111.08076	2.6
113.09675	3.4
117.07024	12.9
117.09151	3.3
119.08593	27.8
121.10159	37.2
123.08057	5.5
123.11717	5.2
127.11234	2.1
129.06999	3.8
131.08559	13.8
133.08574	4.7
133.10141	18.4
135.08070	3.3
135.11708	28.2
137.09619	5.4
141.07068	2.0
141.09082	2.7
143.08557	6.3
145.10141	16.7
147.11694	11.5
149.13277	14.1
151.11201	15.7
155.08556	2.1
155.17838	1.9
157.10123	3.9
159.11676	9.5
161.13263	17.2
163.11183	8.2
163.14790	6.0
167.10750	2.1
169.10043	2.5
171.11687	6.5
173.13251	5.6
175.14775	4.8
177.12695	2.2
177.16319	2.7
178.07018	2.1
179.14317	67.5
183.11647	2.3
185.13277	5.6
187.14735	2.7
189.12724	3.0
199.14769	3.6
201.16365	2.5
219.17416	4.1
220.17836	4.4
221.15474	2.5
227.33264	2.3
235.16849	4.2
241.19481	3.3
243.21094	14.4
259.20383	4.4
261.22162	16.0
277.21658	51.1
295.22748	5.5
310.60211	2.0
317.24777	11.4
335.25800	51.2
337.26898	2.5
350.24408	2.3
351.25287	41.9
370.88025	2.0
513.39429	7.5
515.37329	7.2
517.39032	3.2
519.41815	2.5
611.46698	100.0
612.46667	2.3
615.57947	2.0
629.47791	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	629.273
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
55.05517	0.3
57.07054	0.3
67.05511	0.4
69.23992	2.1
79.04264	0.2
81.07051	0.5
89.06023	0.6
93.91319	0.2
218.70293	0.3
421.23279	0.2
541.22925	0.3
550.45898	0.3
629.27344	100.0
630.27740	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02200	1.0
55.05500	3.4
57.03422	3.9
57.07079	100.0
58.04217	6.9
59.05005	44.3
60.04548	1.1
67.05512	5.6
68.63543	1.0
69.07049	3.7
71.04987	1.5
71.05938	3.2
71.08636	69.3
72.05763	4.5
73.02901	3.0
73.06545	4.7
79.05492	1.9
81.07067	5.7
83.08604	3.0
84.72842	1.1
85.10184	60.9
87.04475	9.4
88.05225	1.8
89.06039	8.6
90.01915	19.7
93.07022	3.1
95.08605	3.8
97.10172	4.2
98.32438	1.1
99.08097	1.5
99.11732	13.5
101.06004	2.2
101.09645	4.4
103.07570	4.6
105.07016	1.7
109.10146	2.6
111.11718	2.5
111.13026	1.1
113.13281	3.7
114.06792	1.2
115.07611	1.9
117.09149	14.1
119.08587	1.4
121.10146	1.3
122.85932	1.2
123.11688	1.5
131.07043	1.2
133.08611	5.1
147.10172	1.8
152.15594	2.7
155.17934	7.9
161.11740	2.2
177.11157	1.2
178.07150	2.6
179.12848	2.7
183.17430	3.8
207.15704	1.3
208.15489	2.8
212.21484	1.7
213.22154	16.0
219.15884	1.8
220.83342	1.2
222.09697	3.4
232.96336	1.1
237.17006	1.5
254.25046	1.5
266.12347	2.3
266.19473	1.8
271.26340	16.0
284.13452	3.0
284.29437	1.5
295.21350	1.4
324.23676	1.7
342.17609	2.0
390.35846	1.6
414.14478	1.3
478.41135	7.9
481.33896	1.1
517.38232	2.4
611.46570	2.0
629.29443	3.3
629.46661	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	629.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07041	1.0
59.04981	0.5
67.05484	0.7
67.22639	0.3
69.23673	0.3
71.08599	0.7
71.26109	0.4
73.02908	0.3
79.05495	0.3
81.07020	0.6
81.58540	0.3
85.10165	0.6
87.04456	0.7
89.05980	0.5
95.08563	0.4
98.53255	0.3
102.49802	0.3
133.08591	0.5
139.82582	0.3
181.51440	0.3
222.56714	0.4
224.48169	0.3
267.84308	0.3
410.13892	0.7
411.14648	1.5
412.15430	0.8
424.15408	1.9
425.16196	5.1
426.16830	2.3
427.17929	2.8
437.16354	1.0
438.17142	1.2
439.18057	11.2
440.18579	8.3
441.19272	2.1
442.20056	1.8
451.18454	0.5
452.14227	4.0
453.10733	0.4
453.15497	34.5
454.21109	4.1
455.20859	40.1
456.21384	1.7
466.16208	1.1
467.17056	35.4
468.17606	9.6
469.22623	0.5
472.17456	0.4
480.18289	0.4
481.18542	5.7
482.19351	25.7
483.20145	2.2
485.18094	1.1
486.18753	0.6
494.18613	1.5
495.20670	1.7
499.19806	0.8
500.20602	0.6
508.19806	1.2
509.21738	1.1
512.20502	0.7
513.21411	1.5
514.22003	0.7
523.20093	0.5
524.21594	1.0
525.22638	1.0
526.22125	1.0
527.22900	0.9
528.23657	5.0
537.21490	0.6
540.20520	0.7
541.24860	4.4
542.25391	0.5
553.22144	11.8
554.22052	1.1
555.22937	0.5
569.23981	100.0
570.24176	2.8
597.23096	1.6
600.22241	2.0
601.26630	4.3
629.26013	85.0
630.26160	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	628.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35867	0.7
53.00287	0.7
53.03941	0.8
55.05517	5.6
57.03432	3.6
57.07078	100.0
57.43859	0.7
59.05005	55.0
63.70761	0.8
67.05512	8.9
68.05812	1.4
69.07077	5.6
70.07383	0.8
71.08635	98.6
71.40816	1.3
79.05495	4.2
79.63136	0.7
81.07056	6.1
82.07380	1.8
83.08614	5.2
85.10186	95.9
87.04480	4.3
89.06036	26.1
91.05480	4.3
93.07056	5.1
94.07381	1.2
95.08620	4.7
96.08907	0.9
97.06531	1.0
97.10148	3.3
98.59031	0.8
99.08086	2.2
99.11742	12.9
101.05988	0.9
101.09662	5.7
103.07574	3.3
105.07056	4.2
106.07321	0.9
107.08589	5.3
108.08884	0.9
109.10149	2.1
110.10468	0.9
115.07620	0.9
117.06982	2.4
117.09137	18.6
119.08559	4.1
120.08871	1.3
121.10118	1.6
125.09632	1.4
129.06972	1.7
130.08592	0.8
131.08548	3.3
133.07649	1.3
133.08609	21.6
133.10161	2.2
135.11684	1.5
141.16385	11.6
143.08543	2.2
145.10098	3.3
146.10497	1.6
147.10187	0.9
147.11688	2.1
157.10133	1.4
159.11694	2.0
159.13823	0.8
161.13269	1.8
171.11760	1.4
173.11749	0.8
175.13301	1.0
175.14764	0.7
177.11252	5.4
189.11256	1.1
191.12753	2.5
197.13338	1.5
199.20570	29.9
213.22157	1.0
221.13817	2.7
227.12842	1.1
239.14873	9.7
240.23257	1.9
257.24777	39.0
275.19958	1.9
279.18051	1.4
297.19086	6.1
315.28976	2.8
335.25803	2.0
337.22122	1.3
355.23462	3.6
470.01096	0.9
504.34485	0.8
514.35718	0.9
516.37640	0.9
518.40277	1.2
610.45654	8.4
611.46954	1.1
628.46564	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	629.2249
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
69.72740	1.9
69.73149	0.9
74.59654	0.4
76.46690	0.5
85.54109	0.4
98.20810	0.7
104.28889	0.4
116.43999	0.4
135.68001	0.4
167.87967	0.5
218.77643	0.5
233.34727	0.5
344.81882	0.5
396.12222	1.4
397.13187	2.5
398.13953	1.1
399.14883	0.9
409.12781	0.5
410.13818	3.3
411.14532	7.7
412.15298	4.8
413.15985	4.4
423.14685	1.7
424.16272	2.6
425.16364	15.2
426.16989	9.4
427.17834	3.1
428.18689	4.3
437.16541	0.8
438.12302	3.2
439.13611	22.6
440.13788	0.7
440.19009	8.8
441.19345	43.6
442.19739	1.8
451.18326	0.8
452.14392	3.9
453.15414	25.9
454.15878	6.4
455.16757	0.6
456.18243	1.3
457.15317	0.5
458.15591	0.5
463.14227	0.7
466.16809	1.6
467.17221	29.6
468.18005	23.7
469.18869	12.3
471.16666	1.7
472.17667	1.0
479.17209	0.6
480.17694	1.5
481.14478	9.5
482.16022	1.8
484.21884	3.8
485.18118	2.2
485.22043	1.3
486.18835	0.8
487.20804	0.6
495.17068	1.8
496.17374	11.2
497.18015	0.7
498.19006	2.1
499.19437	1.6
500.20752	5.1
508.20029	0.5
509.18347	1.5
510.19107	0.9
512.21436	2.3
513.21844	7.3
514.22003	1.4
523.19861	1.1
526.18530	0.8
528.20099	1.3
540.19653	0.5
541.20905	48.4
542.21344	1.3
551.19446	0.5
553.20795	0.7
554.17767	0.5
569.20349	100.0
570.20734	2.7
572.19006	1.0
573.23547	3.5
597.19806	36.6
598.19800	1.1
600.22601	1.3
601.22961	17.8
615.20496	0.8
629.22418	96.1
630.22449	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	627.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.6
55.01866	13.0
55.05513	41.1
55.85650	2.9
57.03435	8.8
57.07076	98.7
59.05003	29.8
62.08463	3.0
63.95150	3.3
65.03940	4.4
67.05505	97.0
69.07068	33.8
71.05044	3.2
71.08237	6.0
71.08632	95.8
71.56532	5.3
73.06605	3.8
76.24768	3.7
79.05495	76.5
81.07060	100.0
81.18538	3.9
83.04958	5.5
83.08633	19.2
85.06549	6.8
85.10184	78.6
87.04472	15.3
89.06031	96.2
89.06561	5.9
91.05482	54.9
93.07046	77.2
95.04975	8.8
95.08609	60.8
97.06537	17.3
97.10157	11.0
99.08125	3.4
99.11736	10.5
105.07041	57.0
107.04969	8.4
107.08605	46.1
109.06523	11.6
109.10172	36.6
110.61308	3.9
111.08097	3.5
117.07012	19.4
117.09129	4.3
119.08586	41.3
121.06499	4.8
121.10142	35.1
123.08109	3.9
123.11709	13.0
128.06224	4.0
129.07024	8.9
131.07065	4.5
131.08575	27.0
133.08609	61.4
133.10100	25.4
135.08095	4.4
135.11703	14.6
137.09589	4.5
141.06987	4.7
141.16368	4.2
143.08560	13.9
145.10156	24.2
147.11694	26.7
149.09602	16.0
149.13298	5.0
155.08612	6.5
157.10168	11.1
159.11732	19.7
161.13278	11.1
163.11186	8.7
163.14839	5.0
165.12801	6.6
169.10172	5.2
171.11719	9.3
171.64821	3.3
173.13287	13.7
174.09793	3.7
175.09779	4.0
175.14862	6.3
177.11237	23.1
177.12598	5.2
183.11656	6.9
185.13243	4.8
187.14890	7.6
193.12285	3.8
199.14806	3.9
199.20599	11.3
211.14838	5.6
229.19551	4.4
239.17909	4.5
247.20522	5.5
257.19025	9.5
267.15820	3.4
267.21521	3.7
275.20074	56.2
277.21686	6.1
293.21176	8.6
331.22873	3.8
333.24115	4.4
335.25720	28.1
349.23813	27.6
371.22675	4.3
372.33917	3.3
535.41510	8.1
609.45056	43.8
627.46228	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22518	0.2
63.41077	0.2
69.03408	0.4
70.06580	0.3
70.99282	0.4
81.03392	0.2
85.02876	0.5
91.05503	0.2
97.02797	0.2
105.04487	0.2
118.06540	0.2
119.04926	0.3
123.04414	1.6
127.03889	0.2
134.06026	0.4
135.06801	1.2
137.05957	0.4
151.07545	0.9
153.05470	0.3
161.04723	0.4
163.06288	17.4
176.07085	2.4
177.07895	0.5
178.08632	100.0
179.08974	0.6
194.08151	1.6
215.09570	0.2
221.05893	0.3
267.06528	0.9
278.07861	0.2
299.09045	0.5
300.12238	0.3
310.10901	0.2
312.12305	0.4
313.09616	0.4
314.10294	0.2
326.10590	0.9
327.11011	2.0
328.11865	1.9
329.12640	0.4
330.17062	0.4
331.17422	0.3
342.13412	4.9
364.16028	0.2
466.18625	4.3
628.23871	46.6
629.24640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.9
53.03941	6.3
55.01876	4.0
55.05516	35.5
57.03454	11.0
57.07080	11.3
59.04996	5.4
65.03949	3.0
67.05511	69.2
69.03433	3.2
69.07069	27.3
69.20425	22.8
71.04989	4.7
71.08637	69.6
73.85313	2.0
77.01487	2.1
79.05499	61.7
81.03414	4.2
81.07066	74.1
82.69117	2.0
83.04984	7.5
83.08618	15.9
85.06554	5.5
85.10177	7.3
87.04455	2.8
91.05492	61.6
93.07053	63.6
95.04961	11.2
95.08620	49.8
97.06527	8.6
97.10175	8.2
99.08106	38.9
103.05467	2.5
105.07038	60.8
105.08168	2.3
107.04976	7.3
107.08614	34.0
109.06514	5.3
109.10185	20.0
111.08078	2.8
117.07048	23.3
119.07790	3.7
119.08596	45.8
121.06520	3.6
121.10157	26.7
123.08111	2.8
123.11674	4.9
125.09611	2.9
127.11240	2.6
128.06297	3.1
129.07005	18.1
131.08585	27.0
133.06517	2.5
133.10144	33.3
135.08037	5.0
135.11703	26.4
137.09560	5.0
139.11299	2.0
141.06963	4.4
141.09079	2.9
142.07813	5.2
143.08592	23.3
145.10144	32.1
146.10486	1.8
147.11710	30.1
149.13280	11.3
151.11183	13.5
155.08577	7.1
157.10159	19.8
159.11729	25.2
161.13258	28.7
161.14453	3.1
163.11180	8.3
163.14847	3.5
169.10199	13.6
171.11729	21.6
173.11902	3.9
173.13284	16.3
175.14902	13.9
177.12816	5.8
177.16446	2.4
179.14339	37.2
181.10167	6.2
183.11761	8.9
185.13254	14.9
187.14806	6.2
189.12868	3.7
189.16371	2.5
195.11707	5.6
197.13264	6.3
199.14861	11.5
201.16400	4.4
209.13283	5.7
211.14801	3.4
213.16412	6.7
215.18059	3.2
217.19478	3.1
219.17503	2.4
223.14848	4.2
225.16457	2.6
231.17479	2.7
231.21158	4.2
235.14893	2.4
237.16431	3.1
241.19562	23.1
243.21213	2.4
251.18002	2.4
257.19028	3.4
259.20590	30.7
273.18579	2.5
274.18634	2.5
275.19986	10.2
277.21674	38.3
293.21204	6.1
293.71664	2.6
295.22879	3.6
297.22107	2.3
315.23248	8.7
333.24274	30.1
335.25839	6.6
351.25381	30.5
367.87262	2.3
419.33371	3.8
435.32556	4.4
437.34244	18.6
455.35535	3.0
501.35608	3.6
511.38135	16.4
513.35730	7.7
517.40552	6.0
529.38770	5.7
535.41516	8.4
553.42957	3.2
591.44531	2.7
609.45142	75.4
627.46198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25332	1.4
52.96179	1.6
53.00704	1.6
53.03940	3.8
55.01874	17.9
55.05268	2.7
55.05518	40.9
57.03444	15.0
57.06804	1.5
57.07070	6.6
59.04997	2.8
65.03944	4.8
67.05509	100.0
69.03436	2.7
69.06723	2.8
69.07075	42.5
69.21127	9.2
69.21559	7.1
71.05000	8.2
71.08636	3.3
79.05499	81.5
81.03412	2.8
81.07063	95.1
83.04997	9.1
83.08625	21.8
85.06544	3.9
87.04463	2.2
89.06008	2.0
91.05489	62.2
93.07053	80.8
95.04988	10.4
95.08614	70.0
97.06536	28.9
97.10178	15.2
98.21484	4.9
99.08111	4.7
101.60915	1.9
103.05460	2.4
105.04525	2.0
105.07037	54.2
107.04963	15.1
107.08605	60.8
109.06511	8.5
109.10170	36.0
111.08102	5.5
113.09650	2.8
115.05470	4.6
116.56587	1.9
117.07018	24.0
119.08588	49.0
121.06513	5.0
121.10141	30.2
123.04436	1.4
123.08095	5.4
123.11688	10.4
125.09637	15.6
128.06248	2.7
129.07013	14.9
131.08571	41.1
133.10144	39.0
135.08118	6.2
135.11711	18.4
137.09604	4.5
137.13412	2.5
139.11234	2.9
141.07033	4.5
142.07791	2.3
143.08577	16.3
144.09399	1.8
145.10139	38.6
147.08049	1.7
147.11691	26.6
149.09630	23.9
149.13260	7.8
151.11235	4.7
155.08600	8.4
157.10158	16.2
159.11703	26.5
161.09694	2.7
161.13297	10.5
161.14450	1.6
163.11192	10.6
163.14862	3.0
165.09129	2.1
169.10098	11.0
171.11690	16.4
173.13264	18.8
175.14865	5.0
177.12770	3.9
179.14340	3.6
181.10194	2.8
183.11708	9.8
185.13283	12.0
187.11226	1.8
187.13379	3.3
187.14883	7.5
189.11287	7.9
189.12752	2.7
189.16464	4.2
190.17273	1.6
191.14323	2.1
195.11745	5.6
195.13683	2.1
197.13297	9.1
199.14796	8.5
201.16428	4.6
209.13293	4.1
211.14815	3.4
213.16464	5.3
215.18010	2.3
219.17543	3.2
221.13376	1.7
223.14777	2.2
225.16487	3.3
227.12848	9.4
227.17892	2.1
229.19553	4.5
239.17998	7.2
241.19618	2.0
243.16017	2.1
243.21199	2.6
247.20717	2.7
257.19073	14.3
259.20697	5.8
261.22211	6.4
275.20084	61.9
277.21793	4.0
293.21033	7.6
315.23215	1.9
331.22830	3.2
333.24338	3.9
335.25839	57.8
349.23752	31.2
367.25406	2.1
367.30255	4.4
383.33252	2.4
431.32397	2.3
441.33957	2.0
505.35168	3.2
513.39575	1.9
515.37585	8.7
517.40149	4.4
535.41492	6.7
553.42865	3.9
555.40863	3.4
557.38062	2.2
578.45038	1.6
591.44354	5.1
609.45129	80.0
627.36957	2.8
627.46216	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	627.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01873	2.3
55.05515	10.6
57.02112	2.2
57.03455	2.9
57.07060	6.4
59.04999	4.2
67.05502	29.6
69.07063	7.5
71.05021	2.2
71.08629	8.9
74.60897	1.6
79.05486	21.7
81.03439	1.8
81.07054	27.0
83.04963	2.1
83.08614	4.0
85.10179	3.4
87.04453	2.1
91.05477	20.3
93.07050	24.4
95.04977	5.4
95.08599	20.7
97.06533	3.6
97.10184	4.6
98.21526	4.0
99.08089	3.4
105.07021	16.2
107.04951	4.0
107.08582	16.7
107.09217	2.0
109.06509	4.1
109.10172	8.8
111.95888	1.6
114.38584	1.6
117.07020	6.5
119.08567	14.1
121.10138	10.3
123.10109	1.8
129.06998	3.6
131.08588	7.7
133.10120	10.0
135.08110	1.6
135.11685	9.5
137.09587	2.1
139.62816	1.7
143.08627	2.4
145.10139	5.6
147.11703	4.4
149.09659	3.6
149.13275	2.5
151.11205	3.8
157.10149	2.7
159.11688	2.1
161.13258	4.5
163.11171	2.5
169.10172	2.5
169.17661	1.6
171.11742	2.5
173.13252	2.4
179.14288	8.8
183.11864	1.8
185.13162	1.8
187.11368	1.7
219.17470	4.9
239.46791	1.9
242.55176	1.7
259.20609	2.7
275.20081	10.7
277.21634	15.0
289.49911	1.9
335.25748	9.0
349.23813	7.3
351.16614	1.6
353.17706	6.2
365.18045	2.4
367.19440	4.5
381.16791	2.0
381.21036	3.7
383.22336	2.1
395.18692	4.5
395.23148	2.6
409.20651	3.9
411.21826	5.6
422.21075	2.5
424.22446	5.5
425.19272	8.1
436.22513	2.7
437.23523	6.2
438.20422	4.1
439.21295	7.0
440.22406	4.8
454.23795	4.0
469.26205	3.3
470.23157	4.1
481.22641	2.0
497.26495	13.3
498.26471	4.0
509.25208	2.3
525.25403	3.5
526.25458	2.1
535.41821	2.1
541.27991	12.1
551.27332	2.3
583.29242	16.4
584.26111	10.8
585.27057	100.0
599.28497	2.1
609.45148	12.9
626.45056	2.6
627.28082	75.6
627.45093	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	627.2832
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.26879	0.6
53.03935	0.9
55.01870	1.0
55.05524	1.7
59.86727	0.6
62.58912	0.6
63.27988	0.6
67.05509	3.7
69.07067	1.1
69.82462	2.9
70.02966	1.1
79.05511	1.6
81.07063	2.7
83.04974	0.7
83.08618	0.9
85.02911	0.9
91.05493	2.4
93.07059	2.9
95.04992	0.8
95.08623	1.7
98.20750	0.8
105.07027	3.5
107.08595	0.7
109.10164	1.1
116.90597	0.6
117.07024	1.4
119.08594	1.5
121.06491	1.2
121.10154	1.0
131.08578	1.7
133.10173	1.5
135.08220	0.7
136.07568	1.3
138.09221	1.2
145.10112	1.3
159.09216	0.8
172.10028	0.8
174.09143	3.6
187.08743	0.7
187.12349	3.1
188.10762	1.9
197.07104	1.0
197.10849	0.8
203.11783	0.7
211.08603	1.6
211.42485	0.7
212.09547	1.1
213.10310	0.9
215.11848	2.3
224.09433	1.3
225.10309	3.0
226.10916	0.7
227.11852	3.6
235.08755	0.8
237.06538	0.7
237.10417	0.9
239.11871	2.7
240.12654	0.8
241.13391	1.9
243.11302	18.5
249.10239	1.5
251.11835	1.9
252.09035	1.5
253.09807	1.5
265.09845	0.9
267.11258	6.0
269.12878	2.0
277.09821	1.6
277.13391	0.7
285.12521	2.1
291.11295	0.8
295.10770	2.7
300.11575	1.3
300.24387	0.8
301.15640	3.1
309.12283	1.9
314.13025	1.4
316.10849	1.3
319.10782	1.4
323.14203	1.1
325.15494	7.5
327.13416	5.2
328.11029	1.6
328.14713	1.9
329.11853	0.9
330.12527	2.9
330.16080	1.1
336.13602	0.8
339.17798	0.7
340.10959	1.0
342.12363	2.1
342.16061	1.0
343.13257	2.1
344.14093	3.5
345.14694	0.9
346.15585	2.0
348.13501	2.6
351.13220	1.1
352.14120	1.0
354.12485	1.1
355.13373	1.0
356.14114	2.6
357.14868	1.6
358.15631	2.6
360.17111	0.8
362.14966	0.9
370.15698	1.9
371.16528	0.8
372.17194	2.9
384.17340	1.2
386.15018	2.0
386.19144	1.1
390.27530	0.7
398.14563	1.0
400.16714	2.4
402.14200	0.7
407.15326	1.0
412.16623	1.4
417.16803	1.5
418.17773	1.6
419.19153	0.8
422.17896	0.8
423.17926	1.1
431.18759	1.7
432.19272	2.3
435.18573	1.1
437.19919	2.5
445.29550	2.8
446.29764	3.7
447.22104	1.8
447.30231	7.7
449.15210	0.9
449.20273	1.0
450.16452	1.6
451.17343	1.3
460.18808	1.3
461.23657	1.5
462.24100	1.9
463.21432	2.7
465.18945	9.6
465.31299	1.1
466.19696	0.9
467.20593	0.8
472.19586	0.8
474.19693	0.7
476.20038	1.0
477.19363	1.6
478.20486	1.5
479.20419	5.5
480.21362	3.7
481.22577	2.1
489.23166	1.3
490.22467	0.8
491.20969	1.5
492.21640	2.2
493.23206	3.5
503.20789	0.8
504.21631	2.4
507.24121	5.1
508.21307	0.8
517.22894	1.2
520.20929	1.4
535.23303	5.7
537.21393	1.0
549.25122	9.6
552.23511	1.5
553.24402	1.9
567.26050	49.2
577.24225	1.1
595.18103	0.6
595.25519	38.0
627.28113	100.0
628.28284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.27
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33614	0.3
61.24936	0.3
66.99744	0.3
69.03448	0.3
70.58395	0.9
72.47144	0.3
74.97549	0.3
85.02875	0.4
91.05474	0.3
96.67762	0.3
132.04434	0.8
135.04370	0.3
139.07866	0.3
161.04701	0.4
162.05537	0.3
165.06989	1.5
166.07788	1.1
178.07756	1.8
179.08572	7.1
180.05775	0.3
189.06973	1.1
189.09125	0.4
190.09430	0.4
190.11761	0.3
191.08632	2.5
192.08458	0.3
193.06520	0.8
194.07253	3.6
204.08147	0.4
205.06227	0.3
205.08838	1.5
206.09657	17.6
207.08043	6.7
207.09961	0.4
208.11122	0.4
209.05959	1.3
217.06482	0.9
217.08833	1.4
218.09634	0.4
219.08051	3.2
219.10205	1.8
220.07707	0.7
220.10448	1.4
222.06717	0.7
223.07564	1.1
224.08376	6.1
224.10602	1.1
233.08389	1.2
234.09137	7.0
235.07542	1.0
235.09766	0.5
236.08327	3.6
236.10730	1.1
237.09120	3.4
238.08661	0.9
239.09433	0.8
240.10139	0.5
249.09174	4.5
250.08678	0.8
252.10187	1.1
253.11046	0.4
254.11792	0.9
262.08533	0.6
263.09387	0.8
263.70102	0.3
264.10220	8.9
264.13107	0.5
265.10965	5.2
266.11725	3.9
282.11218	1.9
297.13684	0.4
314.13855	100.0
315.14142	0.9
457.95062	0.4
461.25198	0.3
627.32507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19570	0.1
63.46838	0.1
69.70490	0.8
81.03389	0.1
85.02901	0.1
91.05456	0.1
97.02895	0.1
102.14654	0.1
104.10712	0.1
104.50443	0.1
106.02905	0.2
117.03378	0.2
118.06569	0.2
121.02883	0.7
123.04408	0.4
127.03820	0.2
131.07274	0.4
137.05962	0.2
145.02885	0.7
147.06778	0.1
148.05070	0.2
148.07578	3.5
150.06737	0.4
154.69817	0.1
159.06808	0.2
160.07532	0.5
161.06024	0.1
161.08403	0.2
162.05507	0.3
163.06311	1.2
164.07092	0.4
165.09105	0.5
174.05542	0.7
176.07072	6.4
177.05576	1.0
177.07846	6.5
184.07387	0.1
190.08643	0.6
192.10194	100.0
193.10652	0.7
288.12289	0.2
311.05466	0.2
312.05966	0.2
324.05951	0.2
324.12445	0.2
326.13879	0.6
340.15375	0.6
342.06897	0.2
388.10336	0.2
437.93906	0.1
456.10120	0.2
464.20764	1.8
626.25970	22.6
627.26379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.6
57.07077	100.0
58.06580	4.4
59.04746	4.3
59.05008	50.4
67.05501	4.1
69.39061	9.8
69.39474	9.8
71.08231	3.7
71.08632	66.3
78.55426	2.4
81.07030	4.6
81.49531	2.6
82.16599	2.9
83.08614	4.3
85.10183	58.3
89.06019	10.4
91.05458	3.7
93.07030	4.2
97.10163	3.4
99.11738	8.7
101.09689	6.6
109.10143	3.2
113.13338	2.8
117.09122	20.4
147.10176	4.3
155.17967	8.4
175.13298	4.8
198.12498	2.6
205.14459	3.2
213.22162	20.9
254.24786	2.8
271.26352	26.7
284.19568	2.5
329.30795	2.9
387.41791	2.9
409.13474	2.7
410.45886	2.7
534.60022	3.7
545.30365	2.8
609.45020	3.6
626.65918	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	626.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.3
61.02918	0.4
69.03435	1.7
70.00081	0.4
70.00491	0.6
70.06583	0.5
71.01348	0.3
73.02911	0.5
81.03398	0.6
84.08121	0.2
85.02905	2.5
87.04476	0.4
91.05491	0.9
97.02884	1.2
107.04999	0.5
109.02855	0.4
115.05452	1.6
118.06558	0.7
119.04923	0.7
120.04457	0.5
122.03631	0.3
123.04436	1.1
127.03934	0.4
129.21696	0.2
135.04443	0.3
136.07602	0.3
137.02440	0.2
137.05992	7.0
138.05516	0.2
138.73885	0.2
139.03899	0.2
143.04939	3.5
145.04916	0.2
146.06010	0.5
147.04391	1.6
149.05940	0.2
150.05501	0.2
151.03864	0.3
151.07544	0.6
153.01814	0.2
153.53822	0.2
161.05995	4.5
162.05513	0.4
164.07077	100.0
165.07425	0.6
167.07054	0.4
175.03935	0.4
175.07570	0.4
176.07156	0.2
177.05492	0.3
178.08820	0.2
179.08615	0.3
193.08899	0.2
205.06503	0.7
207.06499	0.5
207.08112	0.5
223.07619	0.5
233.06053	0.2
235.07558	0.6
237.09183	0.3
247.07793	0.2
250.06314	0.5
250.08598	0.4
251.07106	0.9
253.08636	0.6
262.06259	0.4
263.07004	0.5
265.08749	0.4
267.10519	0.2
271.06403	0.2
272.06256	0.3
273.07449	0.5
278.05688	0.4
278.08185	0.5
279.06546	0.3
281.08252	0.3
283.09692	0.4
285.11212	2.2
287.05478	0.2
293.08121	1.7
299.05673	0.2
299.09207	0.2
300.12305	0.5
302.13870	3.3
302.16989	0.3
308.06708	0.2
309.07562	0.2
310.10791	0.8
311.09015	1.2
323.09219	0.3
326.07962	0.3
326.12360	5.0
328.11826	3.1
338.07782	0.2
340.11874	0.4
341.10281	0.8
356.08505	0.2
358.12979	0.8
365.05630	0.2
440.11163	0.2
459.29349	0.2
464.19202	6.4
472.16336	0.3
488.12393	0.4
490.17261	0.6
520.18414	0.5
538.18250	0.2
572.15582	0.2
626.24487	39.4
627.24609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55180	0.9
53.03952	1.2
60.49479	0.8
62.03814	0.8
69.03421	1.8
71.25579	1.1
81.03406	1.8
84.04515	0.9
84.08162	0.9
85.02905	3.6
96.04491	0.8
97.02891	2.0
107.04981	1.6
123.04446	2.2
129.35809	0.9
131.04970	2.1
137.06004	2.7
147.04443	3.3
149.06010	1.8
151.03912	1.1
153.01857	1.1
161.05974	1.3
162.05550	2.9
164.07062	4.1
167.07060	24.4
175.03981	1.5
176.07101	1.9
179.08603	3.1
181.04982	1.6
189.07062	2.8
193.06596	1.1
205.06642	3.0
206.07347	2.3
207.06425	1.6
207.08078	9.0
210.06883	2.0
217.06512	3.4
220.05284	2.0
221.06058	5.9
222.07661	1.1
223.07602	2.1
224.08478	0.9
225.09305	1.1
233.05971	2.2
234.06834	6.9
234.08978	1.9
235.07549	26.4
237.05507	2.3
237.07802	1.2
238.06323	2.7
241.08585	0.9
245.06087	2.4
248.04759	1.1
249.05443	4.2
250.06245	2.6
250.08646	1.6
251.07169	4.9
252.07887	6.2
253.08615	7.2
256.07120	1.1
261.05438	1.2
262.06271	31.1
262.08670	2.2
263.07068	27.7
264.07431	1.0
265.04980	6.2
265.07422	2.3
266.05786	5.6
266.08215	1.1
267.06543	3.2
267.10287	1.8
269.08115	1.9
270.08829	1.1
271.06183	1.9
272.06378	2.1
274.06863	1.0
277.05020	2.5
278.05621	1.2
278.08331	1.5
279.06320	5.0
279.09146	1.9
280.07336	7.8
280.09879	3.8
281.08087	17.9
282.08292	1.9
283.06058	4.4
290.05734	6.0
291.06583	4.1
293.04221	1.5
293.07141	1.0
294.05130	2.7
294.07919	5.0
295.06033	4.1
295.09680	6.0
297.07437	1.2
298.08231	1.7
299.05386	1.0
300.06006	1.2
301.10666	1.2
307.08578	1.6
308.06497	12.7
308.09183	2.7
309.07407	11.6
310.07632	3.0
311.05502	2.3
311.08893	1.0
313.10706	15.1
323.09164	38.7
324.09164	1.5
325.06281	1.2
325.09991	4.6
326.07791	9.4
329.06717	2.2
329.10318	1.6
330.07016	1.8
330.13348	5.3
340.11896	16.7
341.10220	46.1
358.12872	100.0
382.13120	1.5
388.18646	1.0
400.13983	4.1
426.14288	1.0
436.14072	1.3
484.16098	3.0
502.17117	7.2
520.18195	18.1
599.18604	0.9
626.24445	80.2
627.24866	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	626.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03423	0.8
57.59756	0.3
61.02901	1.0
69.03433	3.9
70.14850	1.3
73.02916	0.9
80.07131	0.3
81.03399	1.5
85.02905	7.0
87.04474	0.9
91.03902	0.5
91.05476	0.9
97.02892	3.2
99.04492	0.6
107.04916	0.4
109.02868	1.0
109.06509	0.4
115.05455	4.0
119.04914	1.0
122.03654	0.7
123.04456	2.2
127.03903	1.1
133.06491	0.8
137.05981	14.5
143.04929	8.0
147.04442	0.7
151.07533	1.2
161.05981	10.9
164.07068	100.0
165.07417	0.6
174.37712	0.4
175.03810	0.3
175.07509	0.8
179.52586	0.4
189.41699	0.3
207.06418	0.8
207.08104	1.0
225.09109	1.0
235.07538	1.0
250.95651	0.3
253.08614	1.0
262.06265	0.4
263.07382	0.4
267.10132	0.5
285.11197	6.7
287.05347	0.6
288.05859	0.6
302.13864	7.2
323.09085	0.4
326.12360	8.9
358.12881	1.0
464.19208	11.8
488.18027	0.8
553.64508	0.4
611.10168	0.4
626.24445	58.0
627.24512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01876	11.3
55.05513	31.8
57.03440	9.1
57.07076	5.1
59.04990	1.6
60.03317	1.1
65.03946	3.3
66.91789	1.1
67.05508	57.8
69.03436	2.3
69.07076	22.3
71.04995	5.6
71.08628	2.1
71.57215	1.9
74.30230	1.1
74.68875	1.3
77.03948	2.2
79.05495	41.4
81.03417	2.0
81.06580	2.6
81.07063	50.6
83.04981	7.7
83.08615	13.9
85.06563	4.5
91.05487	38.5
93.07050	38.4
93.07629	2.1
93.92532	1.1
95.04988	6.5
95.08614	32.2
97.06539	16.3
97.10185	12.5
99.08131	3.4
105.04543	1.9
105.07040	38.5
107.04988	5.0
107.08595	27.0
109.06533	7.5
109.10159	22.0
111.08101	4.6
115.05511	2.7
116.06242	1.5
117.07013	17.1
117.07732	1.4
119.08591	34.8
121.06503	3.1
121.10143	17.1
123.04441	1.3
123.08103	3.8
123.11741	6.5
125.09631	8.0
128.06258	4.7
129.07004	16.4
129.07739	1.5
130.07791	2.3
131.08566	25.6
133.06491	2.5
133.10149	24.9
135.08052	6.1
135.11723	8.5
137.09648	1.9
139.11212	2.1
141.07013	7.4
142.07838	2.6
143.08594	19.0
145.06532	1.9
145.10136	22.9
147.08061	2.1
147.11705	14.9
149.09630	7.9
149.13287	4.2
151.11235	1.8
154.07784	2.4
155.08542	10.4
156.09389	2.4
157.10146	16.4
159.08180	1.5
159.11707	19.9
161.09682	3.7
161.13257	12.3
163.11258	2.8
163.14914	1.7
165.07097	1.4
167.08626	4.9
168.09428	1.4
169.10135	13.0
170.10951	2.0
171.08293	1.4
171.11723	15.9
173.09706	1.4
173.11877	1.9
173.13210	10.7
175.11307	2.6
175.14911	3.4
177.12769	1.4
181.10199	6.1
183.11734	13.8
185.13304	12.9
187.14931	5.6
189.11276	4.6
189.16422	1.6
193.10158	4.0
195.11658	6.8
197.13313	8.6
198.14110	1.6
199.11337	1.8
199.14847	7.8
201.16379	1.5
207.11792	3.6
209.13373	7.2
209.15247	1.5
211.14886	5.7
213.16443	3.5
215.18034	1.8
217.15979	3.3
221.13406	2.7
223.14856	3.1
225.16454	3.8
227.12645	9.1
227.18047	3.5
229.14368	2.1
231.17552	1.4
235.14960	2.4
237.16374	1.8
239.18054	3.8
241.19481	7.1
245.19141	1.8
249.16446	3.1
251.18042	2.9
255.21208	1.9
257.19119	6.1
259.20538	8.5
261.12921	1.3
263.56705	1.5
273.18518	8.8
275.20087	21.1
279.16150	1.5
285.22330	1.6
291.19836	3.5
297.22186	1.9
315.23257	3.0
321.22269	1.6
323.23575	1.4
333.24396	9.6
335.26028	6.0
339.27020	1.5
347.22455	3.1
349.23700	11.1
365.28519	3.4
379.30151	2.6
381.31766	3.6
421.31134	1.8
439.32486	2.5
497.37347	1.8
513.35388	6.5
515.39197	6.6
527.37262	1.8
533.39490	9.4
551.41016	4.4
553.38861	3.7
565.27783	1.6
567.40057	1.5
589.42932	1.8
607.43658	48.2
608.29138	2.6
625.30243	10.0
625.44824	100.0
626.45184	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07606	0.8
53.03940	3.4
53.28138	0.9
55.01878	7.4
55.05268	1.5
55.05515	24.0
57.03438	6.1
57.07065	3.0
59.04998	2.1
60.96353	0.9
61.25191	1.1
65.03925	2.4
67.05507	38.3
69.03429	1.8
69.06721	1.6
69.07071	18.8
70.13999	1.5
70.14347	4.3
71.05003	4.9
72.27666	1.0
74.20394	1.0
79.05061	2.0
79.05499	29.4
81.03440	1.1
81.07062	39.1
83.04986	3.4
83.08627	12.3
85.06548	1.8
91.05484	24.0
93.06465	1.9
93.07047	28.9
94.11211	1.0
95.04972	4.5
95.08611	23.6
97.06538	7.1
97.10178	9.6
99.08112	1.1
105.06386	2.1
105.07040	25.5
107.04973	2.0
107.08601	18.5
109.06533	2.9
109.10164	16.2
111.04543	1.0
111.08086	3.8
115.05489	3.2
117.07034	14.7
119.08598	19.6
121.06462	1.7
121.10146	13.4
123.08101	2.3
123.11708	10.0
125.09599	6.5
128.06261	3.1
129.07010	12.9
130.07768	1.0
131.08563	19.2
133.10135	19.1
135.08095	2.3
135.11705	7.3
137.09627	1.4
137.13206	1.2
141.07047	4.7
142.07797	3.0
143.08569	17.7
144.09377	1.2
145.10127	18.0
147.08028	1.6
147.11705	9.2
149.09628	2.3
149.13271	2.4
151.11253	1.2
153.07069	1.4
155.08569	13.2
156.09367	1.9
157.10150	16.9
159.11690	15.9
161.09595	1.8
161.13197	5.7
163.14828	2.1
165.07018	1.2
167.08572	6.5
168.09251	1.3
169.10123	15.1
170.11005	1.6
171.08113	1.0
171.10231	1.9
171.11684	16.9
173.13284	10.0
175.11099	1.2
175.14830	2.1
179.08563	2.0
179.14378	1.3
180.09361	1.9
181.10097	8.8
182.10976	1.5
183.11705	15.4
185.09799	1.3
185.13277	11.9
187.13377	1.8
187.14861	4.5
189.11223	3.6
189.16374	1.6
193.10168	3.2
194.10924	1.1
195.11752	7.1
196.12372	1.3
197.13243	10.1
199.13261	1.6
199.14844	7.5
201.16354	2.5
207.11717	4.1
207.13550	1.0
209.13278	6.7
211.14771	6.7
213.12798	1.2
213.16438	4.6
215.18033	2.7
219.11626	1.4
221.13295	3.3
223.14798	5.4
225.16383	6.1
227.12843	3.6
227.17972	3.8
229.14409	2.1
235.14912	2.0
237.16415	2.9
239.17996	3.2
241.19479	3.2
243.15894	3.7
249.16322	2.0
251.17990	1.7
253.19632	2.4
257.19034	2.1
259.20618	3.2
263.17978	2.1
265.19461	1.3
271.20670	1.2
273.18634	2.0
275.20041	4.9
283.20737	1.9
297.22287	1.8
309.22229	1.3
315.23233	1.1
321.22275	1.2
333.24396	2.7
339.26981	1.4
341.24774	1.6
349.23993	3.6
363.26685	1.7
365.28366	7.9
367.26233	1.1
379.29922	2.1
381.31918	2.3
383.29636	1.9
421.31100	2.2
439.32263	3.6
495.35144	1.6
497.37726	1.4
507.34866	1.4
513.35846	15.9
515.38641	6.9
527.37231	1.9
533.39923	8.6
543.37427	1.0
551.15430	1.3
551.41119	6.6
555.37030	1.5
589.42670	3.3
597.44580	1.5
607.43604	46.8
625.44647	100.0
626.45123	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	625.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.9
55.01860	6.2
55.05502	20.7
57.03435	15.5
61.02912	11.5
67.05507	75.9
69.03436	30.2
69.07071	21.8
71.04996	12.9
71.55756	4.6
71.56189	5.2
73.02921	11.9
74.12135	5.4
79.05496	50.1
81.03441	32.5
81.07065	86.9
83.04984	24.5
83.08621	23.4
85.02901	24.6
85.06532	10.4
91.03977	8.5
91.05489	42.2
93.07054	71.0
95.05006	9.6
95.08624	32.2
97.02893	19.4
97.06534	13.1
99.29668	4.7
104.42541	4.8
105.07037	24.3
107.04946	6.2
107.08617	32.0
109.02903	8.8
109.10175	8.1
111.04449	6.4
111.08053	9.5
117.07030	15.9
119.08589	20.2
121.06504	19.7
121.10158	23.1
123.04446	6.7
123.08049	7.1
123.11730	6.1
125.18000	6.1
127.03896	12.3
129.05486	11.3
129.07021	10.9
131.08575	31.6
133.10138	23.6
135.11699	12.9
143.08543	6.6
145.10072	8.8
147.11668	11.5
149.13313	25.4
155.08522	6.9
157.10136	9.3
159.11691	18.9
161.09637	5.7
173.04500	9.7
173.13264	6.9
177.12779	7.1
181.10291	4.7
183.11760	5.7
195.13774	14.7
206.28795	6.3
208.41542	5.4
213.99454	5.0
269.17474	38.6
300.23145	5.8
301.06784	5.3
327.14526	6.2
338.23486	6.0
339.17871	7.2
353.25256	6.1
371.25824	9.0
389.26526	7.7
395.20743	8.0
413.17044	7.3
413.21768	15.7
445.29407	35.7
453.20816	10.5
463.30695	89.3
518.15759	6.7
607.34705	44.2
625.31757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01867	1.4
55.05518	8.1
57.03434	2.4
61.02914	2.8
65.03942	1.2
66.97977	1.0
67.05186	1.0
67.05511	18.9
69.03423	2.1
69.07064	6.2
69.85839	5.0
71.04988	2.4
77.12623	0.9
79.05498	17.4
81.03417	3.3
81.07056	20.0
83.04984	1.9
83.08612	3.0
85.02892	2.4
85.06547	1.3
91.05483	20.4
93.07054	16.8
94.17400	1.2
95.04934	2.0
95.08617	12.5
97.02895	2.5
97.06540	2.4
97.10131	2.1
100.55312	1.1
105.07045	19.5
107.04944	1.3
107.08602	6.7
109.06503	1.9
109.10150	4.4
111.08105	1.1
117.07022	11.0
119.08592	15.1
121.06512	3.2
121.10119	6.5
123.08065	1.0
123.11687	1.2
127.03907	1.2
128.06248	1.5
129.07004	8.3
131.08585	18.6
133.06491	1.4
133.10155	9.8
135.08080	1.1
135.11673	2.3
137.06010	1.5
137.09616	1.2
141.06995	3.7
142.07825	1.4
143.08585	7.0
145.10143	11.8
147.08041	2.2
147.11668	3.5
149.09644	1.5
149.13307	1.2
151.94112	1.0
153.67979	1.1
155.08569	4.3
157.10158	5.9
159.11682	3.2
161.09674	1.1
161.13290	1.9
167.08571	1.6
169.10164	2.8
171.08182	1.5
171.11656	4.3
173.13235	2.4
175.11288	1.1
181.10034	2.1
183.11725	3.0
185.09740	1.3
185.13225	2.3
195.11699	2.3
197.13277	3.6
209.13322	1.8
211.14830	1.8
216.14926	1.1
226.48628	1.1
247.16977	1.3
259.16968	1.6
261.18530	1.5
264.35229	1.0
275.19989	1.3
298.14224	2.0
310.56561	1.2
325.25079	1.4
335.23630	3.0
343.26233	2.5
353.24811	7.4
371.25839	11.0
376.12164	1.1
389.26917	10.6
405.87732	1.2
445.29529	100.0
463.30603	25.1
535.98151	1.0
625.35144	2.2
625.44617	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01870	2.7
55.05517	10.8
57.03432	4.2
61.02916	4.5
65.03938	1.8
67.05170	2.2
67.05510	30.1
69.03419	4.0
69.07069	14.2
69.20489	1.3
69.55065	9.4
71.04993	3.5
73.02935	1.7
79.05502	21.2
81.03419	5.2
81.07067	30.4
82.13514	1.3
83.04974	3.9
83.08640	7.0
85.02905	4.3
85.06544	1.8
91.03973	2.1
91.05485	30.4
91.06017	2.7
93.07048	26.7
95.04977	3.6
95.08617	16.8
97.02907	3.5
97.06537	3.4
97.10165	5.0
105.07045	29.9
107.04955	2.9
107.08598	13.3
109.02888	2.6
109.06517	4.8
109.10175	7.0
111.08086	1.9
117.07025	16.8
119.08586	21.1
121.06512	3.7
121.10167	10.0
123.08065	1.7
123.11720	2.4
125.09645	5.6
127.03960	2.1
128.06224	2.7
129.06993	13.6
131.08574	25.5
133.06508	3.1
133.10149	15.4
135.08083	2.5
135.11710	2.8
136.57643	1.4
137.09673	1.8
141.06998	4.7
142.07771	2.0
143.08554	10.1
145.06520	2.6
145.10118	14.6
147.08060	3.1
147.11717	4.4
149.09668	4.2
149.13278	2.5
155.08540	6.4
157.10136	7.2
159.08115	1.8
159.11693	6.4
161.09595	2.1
161.13318	2.1
167.08589	1.8
169.10147	5.4
171.11664	7.5
173.13316	4.3
175.11159	2.4
181.10172	4.0
183.11736	3.8
185.13269	5.2
187.11171	2.1
187.14841	1.4
195.11636	1.6
197.13243	3.4
199.11105	1.6
199.14906	2.7
209.13339	2.1
211.14801	3.8
218.47530	1.5
223.14809	2.8
227.12773	3.9
247.16931	2.0
267.15924	1.6
307.55530	1.5
315.26932	1.6
325.25333	1.7
335.23639	4.0
343.26370	3.3
353.24881	14.3
371.25790	15.2
389.26855	21.9
413.21494	1.8
427.28922	3.1
437.21149	3.4
445.29541	100.0
452.10580	1.6
454.72330	1.5
463.30573	60.5
553.72791	1.6
625.31836	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	625.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01859	1.7
55.05519	6.8
57.03419	2.0
65.03934	1.2
67.05508	19.2
69.03419	0.9
69.07072	7.1
69.27872	0.5
69.87556	1.4
69.87966	1.2
71.04981	1.6
74.25079	0.6
79.05497	13.4
81.03380	0.8
81.07061	20.3
83.04968	1.7
83.08611	3.4
85.02901	1.3
85.06545	1.2
86.01017	0.5
91.05487	20.9
93.07049	14.4
95.04971	1.7
95.08611	13.2
97.02876	0.6
97.06528	2.1
97.10168	1.6
97.91933	0.6
99.08073	0.6
101.55726	0.5
103.05472	1.0
105.04530	0.6
105.07034	20.7
107.04973	2.1
107.08598	8.1
109.06520	2.0
109.10154	3.8
109.94223	0.5
111.08102	0.7
115.05442	0.9
117.07015	10.4
119.08588	14.0
121.06481	2.7
121.10142	7.0
123.08059	1.4
123.11707	1.2
125.09594	0.9
125.49709	0.6
126.40214	0.5
128.06223	1.7
129.07001	7.8
130.07803	0.6
131.08578	18.6
133.06479	1.6
133.10143	9.9
135.08086	1.5
135.11716	2.9
137.09598	1.5
141.07036	2.8
142.07724	0.6
143.08566	7.9
145.06476	1.2
145.10130	10.9
147.08046	2.1
147.11678	3.0
149.09637	1.8
149.13263	1.4
151.11142	0.9
153.06934	0.5
155.08549	4.4
157.10146	6.1
159.08118	0.8
159.11710	5.6
161.09584	1.0
161.13263	0.8
163.11203	0.6
167.08586	2.1
169.10162	4.6
171.08070	0.6
171.11673	4.3
173.09496	0.6
173.13220	2.8
175.11169	0.6
175.14835	0.5
177.12943	0.6
181.10130	2.0
183.11713	2.2
185.13286	2.7
187.11243	0.8
187.14833	1.5
188.73886	0.6
195.11734	2.4
197.13266	3.3
199.11182	0.9
199.14848	1.1
201.16464	0.8
203.10614	0.7
209.13336	1.8
211.14830	2.0
213.12737	1.1
213.16194	0.8
215.14241	0.7
217.15999	0.8
223.14818	1.1
227.14374	0.8
227.18022	0.6
233.13150	0.5
233.15399	1.0
241.15935	0.7
243.17395	0.7
247.17036	1.5
249.16423	0.7
259.16965	0.8
261.18533	0.8
275.20050	0.7
287.20062	0.5
325.25238	2.0
335.23685	1.6
343.26428	3.1
353.24756	9.3
371.25833	8.7
389.26852	9.5
417.29932	0.6
427.28387	1.6
445.29526	100.0
446.30243	0.8
463.30603	25.6
625.25800	1.0
625.35535	0.7
625.44849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01869	2.8
55.05515	11.7
57.03435	3.9
57.07059	1.6
61.02916	1.3
65.03939	1.8
67.05510	30.8
69.03427	1.5
69.07075	12.2
70.04102	3.9
71.04990	2.1
73.02923	1.1
77.03919	1.3
79.05064	1.5
79.05501	24.7
81.03458	1.3
81.07059	32.1
83.04972	2.4
83.08623	7.0
85.02925	1.9
85.06530	1.5
91.05485	32.5
93.07054	27.3
95.04971	4.3
95.08053	1.8
95.08615	23.1
97.06525	4.9
97.10168	3.2
99.08117	1.2
102.48453	1.0
103.05469	1.8
105.07040	35.9
107.04954	2.8
107.08606	13.9
109.06520	4.5
109.10169	8.3
111.08086	2.6
114.91420	0.9
115.05463	1.6
117.07030	17.5
119.08583	21.8
121.06506	3.8
121.10126	9.0
123.08089	1.6
123.11729	1.2
125.09642	2.2
128.06215	2.9
129.07019	13.1
130.07776	1.1
131.08580	29.3
133.06511	2.6
133.10136	13.1
135.08078	2.5
135.11708	5.0
141.07027	5.5
143.08562	13.2
145.06447	2.3
145.10143	16.4
147.08046	3.1
147.11694	5.8
149.09592	2.7
149.13272	2.4
151.03957	1.1
155.08554	7.6
157.10146	9.5
159.08040	1.9
159.11726	7.9
160.03107	0.9
161.09668	2.2
161.13266	2.9
163.11156	1.2
167.08484	2.3
168.09332	1.3
168.30199	0.9
169.10149	9.0
171.11707	6.9
173.09593	1.7
173.13287	5.1
175.11238	1.9
181.10072	4.6
183.11739	7.7
185.09599	1.9
185.13272	4.0
187.11165	3.3
187.14809	2.3
189.12691	1.5
193.10129	1.1
195.11703	4.1
197.13303	4.8
199.11139	1.7
199.14795	2.4
201.12747	2.1
203.14256	1.4
209.13228	2.6
211.14839	3.2
215.14330	1.6
219.13838	1.3
223.14815	2.5
225.16495	1.5
233.15515	1.3
233.25905	1.0
237.16417	1.4
247.16940	1.5
259.16852	2.1
261.18591	1.4
272.80606	1.1
275.20004	1.4
325.25189	2.1
335.23798	4.5
343.26437	4.7
353.24728	14.8
371.25839	18.9
388.74335	1.0
389.26852	17.4
405.66861	1.3
417.30191	1.2
427.28381	3.6
445.29529	100.0
463.30591	64.8
463.35941	0.8
513.35565	1.0
551.40814	1.7
607.43488	6.7
612.46686	1.1
625.34375	1.5
625.44684	12.0
632.69598	1.2
634.00439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.5
55.01863	8.0
55.05506	17.1
56.96564	3.2
57.03436	4.7
57.07082	3.9
58.06602	2.5
60.71291	2.0
61.02912	6.6
67.05507	33.7
68.99798	3.3
69.03439	20.5
69.07078	26.3
70.06592	6.1
70.91401	4.5
71.04987	6.9
72.08150	2.4
73.02914	6.2
79.05499	25.6
79.10841	2.1
81.03413	22.3
81.06579	4.6
81.07058	93.0
83.04993	2.7
83.08629	11.3
84.08138	3.3
85.02908	35.8
85.06545	24.2
86.09684	3.8
87.00831	17.5
87.04485	3.2
91.03918	2.8
91.05492	19.0
93.07046	55.4
95.04973	16.0
95.08610	70.9
97.02895	19.6
97.06521	10.4
97.10176	22.1
99.04446	11.9
99.08072	13.7
103.05540	2.8
105.01866	7.6
105.07031	24.8
107.08602	71.1
109.02877	16.5
109.06513	4.9
109.10166	46.6
111.08075	16.0
111.11735	4.7
114.77229	2.0
115.03983	2.6
117.01847	2.8
117.03373	2.5
117.06994	2.6
119.04913	2.8
119.08608	23.4
119.55414	2.7
121.06484	4.8
121.10153	42.8
123.04463	3.2
123.08018	2.8
123.11718	29.8
125.09628	5.4
125.92062	2.4
127.03911	23.6
127.07569	2.6
127.11191	2.2
129.06987	2.4
131.04947	2.6
131.08569	8.0
133.06514	3.2
133.10130	23.9
135.08067	3.5
135.11696	27.5
137.05977	20.0
137.09607	3.8
137.13268	15.6
138.06357	4.6
139.11174	5.2
143.10651	5.7
145.02820	4.6
145.04980	9.8
145.10118	9.9
147.04521	2.9
147.08029	2.5
147.11688	15.7
149.05981	3.0
149.13269	55.9
151.11186	8.4
151.14836	2.7
153.01814	4.8
153.12721	3.6
157.10138	5.6
157.12242	2.6
159.02882	6.0
159.11694	8.1
161.05945	2.5
161.13261	9.5
163.07547	3.1
163.14854	22.6
165.12764	3.5
167.07069	4.1
169.12285	4.7
171.10236	3.0
171.11656	2.8
173.09665	3.7
173.13312	8.1
175.07539	8.5
175.14816	8.0
176.07840	3.4
177.05464	9.2
177.12698	5.0
177.16447	4.4
180.00975	2.6
187.07529	3.1
189.16394	4.3
191.14316	25.2
195.13687	3.1
201.16367	2.5
207.06505	3.8
207.13747	2.4
207.17412	3.4
209.15375	65.2
223.16943	3.7
227.16426	100.0
231.04979	3.2
231.17468	2.8
235.16911	3.7
236.10333	2.8
249.18489	10.3
262.08716	3.1
267.19604	3.7
269.17459	4.5
287.05463	4.0
287.23648	6.5
293.24768	6.5
303.08597	6.5
305.24768	52.0
311.12881	2.8
311.25821	13.6
313.06912	4.0
323.25790	53.2
341.26871	57.4
348.96909	2.7
413.26996	3.4
431.27734	2.7
535.28906	3.2
625.29291	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	625.1763
Annotation	PROTOPORPHYRIN IX CONTAINING ZN
Peak:m/z	Relative Intensity
57.03432	2.7
69.03439	1.6
69.77086	9.8
70.06629	2.5
81.03429	3.8
82.19807	1.6
85.02902	8.2
101.14912	1.4
103.03951	2.2
107.04940	2.3
109.02889	1.7
116.59013	1.6
119.04979	2.6
121.02849	2.2
121.06504	2.4
131.04893	2.3
135.04419	2.2
137.02322	8.1
139.03918	2.3
141.10506	1.8
144.33389	1.5
149.05983	8.7
151.03923	29.1
151.05095	3.2
153.01828	1.9
165.01848	2.0
171.04330	2.1
174.33783	2.0
175.03911	6.0
177.01851	2.7
179.03470	2.9
187.03899	2.1
189.01817	9.1
191.03461	2.9
195.02846	4.0
201.01810	2.9
203.03378	8.9
204.69112	1.8
207.02934	4.8
207.09204	2.4
215.03479	2.3
217.05006	4.1
219.02898	7.3
221.04311	2.9
221.10855	2.2
225.05385	1.7
227.03545	3.4
229.05035	4.7
231.02934	1.9
233.04518	3.2
241.05006	2.2
255.02904	6.1
257.04675	2.2
267.06445	2.1
271.05994	3.9
273.03860	2.7
285.04031	2.2
287.05463	9.9
294.05295	3.4
295.06027	4.2
296.06760	3.0
298.04794	2.7
298.08267	3.9
307.05878	2.6
308.07013	3.0
309.03867	2.4
309.07416	3.5
310.04681	12.8
310.08145	2.8
311.05566	2.9
311.09131	4.7
312.06299	7.1
313.07083	8.6
320.06830	2.2
322.04694	11.4
322.08206	3.0
323.05411	5.4
323.09024	2.9
324.06305	23.5
325.07065	91.5
326.07779	6.6
327.08612	8.7
328.05936	2.9
333.07605	2.9
334.04694	2.2
334.08408	3.5
336.06412	13.6
337.07062	51.7
337.11093	3.0
338.07898	12.9
339.08624	17.0
340.05719	5.3
343.08252	6.3
348.10016	2.3
349.07083	5.2
350.07849	10.5
350.68610	1.8
351.08646	26.7
352.05637	5.6
352.09473	9.7
353.06552	5.0
353.10413	2.6
355.08136	100.0
361.06876	2.3
362.07898	7.4
363.08533	9.6
364.09515	2.2
365.06265	3.6
365.10318	17.4
366.07269	8.8
367.08130	61.5
374.08405	1.6
375.08459	3.0
376.05542	2.3
376.09671	2.5
377.10352	8.3
379.08136	58.2
381.05496	2.6
381.09750	21.7
385.09201	20.3
389.06372	2.1
390.07385	2.9
391.08014	19.4
391.12256	2.1
392.08905	2.4
393.09601	10.3
393.14645	3.6
395.11316	10.2
397.09171	5.9
403.07983	5.2
404.08878	2.7
405.09650	12.6
409.09204	57.7
415.08203	4.0
417.09439	2.7
419.11304	5.4
421.09238	37.0
423.10596	2.9
431.11066	5.7
433.09201	27.7
439.10275	40.4
445.10168	4.7
451.10333	24.1
457.11417	44.1
461.12665	2.5
463.10214	5.6
469.11368	27.5
475.12073	12.2
487.12399	95.4
493.11230	7.6
505.13419	31.2
511.12393	36.3
517.11517	3.9
523.12036	5.4
529.13409	34.3
535.12122	7.3
541.13434	33.4
553.13501	32.6
559.14496	20.1
571.14532	41.9
589.15601	42.1
607.16577	27.0
625.17328	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	625.178
Annotation	Isoscoparin 4'-O-glucoside
Peak:m/z	Relative Intensity
52.13745	0.7
55.01859	1.0
57.03429	1.1
59.85465	0.7
68.99773	0.9
69.03383	0.8
69.87082	0.6
70.06593	3.4
71.56036	0.5
72.08145	0.7
81.03394	1.8
84.08098	0.7
85.02901	4.2
91.05447	1.4
97.02875	1.2
107.04929	1.3
109.02876	1.4
110.07148	2.2
119.04916	1.4
120.05212	0.6
120.08131	0.8
121.02839	2.6
127.03911	1.2
129.10173	0.8
135.04454	1.2
137.02328	0.8
137.05942	2.0
137.97675	0.7
141.01808	1.2
145.02777	1.0
147.04442	1.8
149.02345	0.8
149.05948	2.4
149.08075	0.6
151.03925	6.0
151.07475	0.8
153.01808	6.7
154.02098	0.7
163.03940	1.4
164.07066	1.5
165.01834	7.6
167.03406	1.5
167.07051	0.7
171.02750	0.8
175.03888	1.8
177.05423	1.0
178.08565	1.0
182.29469	0.6
183.02892	1.8
185.05774	0.6
187.03909	0.8
195.02901	2.7
205.04982	0.8
215.03273	0.8
223.12271	1.1
241.05154	0.8
243.02975	0.9
254.05692	0.9
257.04556	0.7
268.07309	0.9
269.04388	0.9
270.05258	0.8
271.06027	26.3
272.06357	17.7
273.06567	16.1
282.05249	4.1
283.05942	0.8
284.06870	0.8
286.04773	3.1
286.07785	0.7
287.05505	53.7
288.05740	0.7
296.06723	6.6
297.07468	3.8
298.01578	1.1
298.04730	14.0
299.05536	2.9
300.06351	5.2
301.03812	1.2
301.07050	10.8
308.06897	0.8
309.07581	1.5
310.04648	5.4
310.08377	3.0
311.06049	0.7
311.09122	4.6
312.06247	1.4
313.07062	100.0
314.07803	5.9
315.08792	0.6
320.06906	1.6
323.05551	0.9
323.09039	0.9
324.06277	10.9
325.07162	11.7
325.10745	1.6
327.08679	3.3
328.05750	16.9
328.08719	0.7
329.06500	1.3
335.09198	1.4
336.06317	2.3
337.06989	4.3
338.07764	7.2
339.04922	2.0
339.08649	16.0
341.06540	1.1
343.08124	85.3
344.08414	1.0
348.06113	1.5
351.08609	2.2
352.05569	1.3
353.06116	1.5
353.10211	17.0
355.08090	5.7
363.08380	3.2
364.05719	2.5
365.06552	0.9
366.07321	1.5
367.08133	46.2
376.05817	2.6
379.08102	13.6
381.09793	4.0
383.08054	1.1
385.09152	1.9
391.08026	10.8
394.06766	2.6
397.09177	22.1
409.09189	23.6
421.08661	1.4
427.10233	25.0
439.10321	2.0
445.11304	39.3
449.10614	4.3
451.10501	0.9
457.11411	2.0
463.12537	7.7
469.11716	1.4
475.12796	3.0
487.12665	4.7
505.13425	17.3
511.12366	1.6
529.13635	5.8
541.13318	1.5
553.13239	1.2
555.05463	0.7
559.14532	10.0
571.14624	4.7
589.15503	8.3
607.16418	13.5
625.17566	8.2
625.25452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24724	1.4
53.78016	1.4
55.01875	2.1
57.03432	3.5
59.86293	1.4
62.38470	1.7
64.19948	1.5
67.05502	1.6
68.99790	1.6
70.06606	1.8
76.02239	7.1
81.03428	9.4
82.03783	1.8
84.04523	4.1
84.08123	1.4
85.02906	10.2
90.05563	4.3
91.05470	4.0
93.03417	2.3
95.04965	1.7
95.27591	1.6
97.02856	1.9
97.61077	1.3
103.03970	1.3
107.04960	3.5
109.02910	3.2
111.89828	1.3
115.09093	1.4
116.01699	1.5
119.04954	2.5
121.02886	1.6
121.06504	1.3
133.02834	1.7
135.04428	8.4
137.02356	24.8
137.03404	2.5
137.06001	1.7
141.74666	1.4
149.05997	9.3
150.06380	2.7
151.03897	2.6
151.07654	2.5
158.02710	8.7
159.03052	1.7
159.04355	1.8
161.02342	4.5
165.01811	2.5
173.06015	2.2
176.03760	3.9
177.01830	5.0
177.05423	2.2
178.08601	4.8
179.03482	2.6
187.03934	2.5
189.01892	11.1
191.03416	4.8
192.10237	12.3
193.06453	15.4
193.12285	3.0
194.06793	4.1
195.02873	8.0
199.03902	1.8
201.05518	2.4
203.03413	14.4
205.05177	1.6
207.02899	5.8
207.09352	1.8
215.03456	3.4
217.04971	5.9
219.02864	4.4
221.04483	3.1
227.03404	2.7
229.01414	1.6
229.04984	2.5
231.02844	1.7
235.05937	2.4
243.02881	2.6
252.36996	1.7
255.02861	4.1
257.04501	2.9
264.10312	2.0
265.10510	1.8
266.11758	10.2
267.06470	1.8
267.12173	9.1
268.16208	1.5
271.06049	3.9
273.06635	1.6
283.05942	3.7
284.06787	3.4
287.05542	6.6
295.06033	6.7
297.07452	2.4
298.14346	3.2
299.05569	23.5
299.14639	4.2
300.06287	3.3
301.06979	1.9
307.05942	2.0
308.06796	2.4
309.07541	6.1
310.04840	9.0
311.05530	100.0
312.06192	7.5
313.07083	14.9
322.10818	8.9
323.05530	59.8
323.11188	7.3
324.06174	10.9
325.03558	3.7
325.07071	21.6
327.04980	4.2
328.05835	5.6
329.06424	4.0
330.17047	4.0
333.07761	3.4
335.05460	7.1
336.06323	6.1
337.07065	37.7
338.04120	1.7
338.07773	5.9
339.05084	6.2
339.08640	5.6
341.06573	60.0
342.07294	3.6
348.06299	1.9
349.07092	7.1
350.04117	2.3
350.07959	2.5
351.04916	8.8
351.08646	22.7
352.05664	5.9
353.06564	40.9
355.08197	4.4
357.05884	2.1
361.07098	3.5
362.07654	2.5
363.04694	2.4
363.08746	9.9
365.01974	2.1
365.06549	34.8
365.10825	3.1
366.07376	2.8
367.04156	2.2
367.08188	13.9
369.06076	6.7
371.07480	3.6
373.07330	2.0
376.05887	2.6
377.06558	16.7
378.07056	2.3
379.08163	17.1
381.05862	4.4
381.09711	5.9
383.07593	3.4
389.06726	9.6
391.08038	9.0
393.05637	8.7
393.10492	2.2
394.06976	2.1
395.07590	18.6
397.09036	3.1
401.06625	6.1
403.07968	2.7
405.05408	2.0
405.10001	2.8
407.07651	44.1
409.09119	5.8
411.06961	2.2
419.07339	10.6
421.09061	2.8
423.06824	3.3
425.03091	3.3
425.08658	49.0
431.09213	3.0
433.09018	3.6
435.07013	3.6
437.08554	13.3
439.10013	2.2
443.09882	10.2
449.08954	2.6
451.10355	2.9
455.09860	23.5
457.11026	2.9
461.08362	3.0
471.09503	2.9
472.09888	2.0
473.10944	37.2
475.10629	3.6
479.09802	11.4
487.12125	1.9
491.09863	3.8
493.11349	2.8
497.10828	46.7
503.09772	4.5
505.13467	11.1
509.10809	43.7
511.12170	2.8
521.10797	19.5
527.11810	28.5
529.13190	2.8
535.96887	1.5
539.11847	32.2
557.12970	44.7
571.14215	3.8
575.13959	57.7
589.15295	5.3
593.14667	5.8
607.16675	3.4
625.25018	25.2
626.25989	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	624.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.8
57.03441	8.1
59.04962	1.0
61.02908	2.0
65.03928	0.8
66.91752	0.7
67.05491	1.0
67.99444	0.7
69.03427	1.0
70.06580	1.7
71.04983	0.8
71.57205	1.0
72.01045	0.7
79.05482	0.9
81.03396	2.4
81.07040	1.3
85.02914	4.0
91.05486	19.6
93.07030	1.0
95.08594	1.0
99.04443	4.5
103.03921	2.8
103.05430	1.6
105.06990	2.4
107.04980	5.0
107.08577	1.0
109.02869	2.3
117.05499	22.2
119.04956	16.1
123.04413	2.0
127.03944	5.4
129.07005	1.1
130.06483	2.5
131.04929	1.8
133.06491	1.6
133.10109	0.8
137.05983	3.8
145.05110	1.2
147.04413	1.0
147.08078	0.8
149.05991	73.5
157.08624	1.5
159.08057	1.9
161.05972	3.3
165.06967	3.5
167.07031	5.2
171.34895	0.8
174.05513	2.1
175.06247	1.7
175.07590	1.7
177.05507	0.8
178.07768	1.3
179.08554	3.0
187.07610	4.4
189.07004	0.9
190.07710	1.4
191.06976	1.9
191.08574	15.9
193.06429	1.8
193.08867	2.0
195.08138	1.1
199.07559	2.7
201.07600	6.2
202.07835	1.6
203.08437	1.0
205.06598	1.6
206.07394	0.8
206.09666	1.5
207.08173	3.6
207.10033	0.7
208.11191	11.4
209.05928	2.2
209.09880	1.1
211.06242	1.1
218.07312	1.2
219.08183	15.9
221.09840	1.6
223.07524	2.3
234.09109	1.4
235.09898	0.9
236.07101	1.0
236.10687	11.2
237.07716	6.9
238.08607	1.2
249.09129	9.4
250.08601	4.0
251.09232	5.8
252.07765	2.0
255.06512	1.4
263.09845	1.1
264.10226	26.6
265.11014	10.1
266.11789	100.0
267.12390	1.2
276.10522	1.0
277.08582	1.7
278.11884	1.9
279.06552	0.9
281.11792	3.5
286.07819	1.0
298.14407	46.4
309.11130	3.5
321.11197	1.2
324.12256	1.4
326.11517	3.9
339.12210	2.4
340.12991	4.0
341.13840	16.4
352.13126	1.0
353.13989	1.7
396.15369	1.5
415.17465	10.3
430.16476	3.0
462.19232	1.0
523.19885	2.2
541.20850	1.3
592.21808	19.8
593.23053	0.9
624.24420	90.8
625.25049	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	624.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01865	2.6
57.03452	0.9
61.02920	1.0
64.76402	1.0
69.03438	8.5
69.58540	5.7
70.06584	1.2
73.02923	1.3
79.05502	1.2
81.03424	9.2
81.07069	2.0
85.02911	19.5
87.00836	7.9
91.05483	4.5
93.07052	1.1
94.04214	2.0
97.02901	7.9
99.04463	3.8
103.05464	2.0
104.19881	0.9
105.01861	5.5
105.07041	5.8
109.02911	8.4
109.06536	2.0
115.03988	0.9
115.05473	2.8
117.07017	1.8
119.04939	0.9
119.08569	1.1
121.06531	1.3
122.03667	5.8
127.03944	16.3
128.06178	1.0
129.07018	1.6
131.04956	2.4
132.05721	2.0
133.06505	3.6
137.05988	100.0
143.04849	1.0
145.04984	6.8
145.06514	1.8
146.50391	0.7
147.04405	1.4
147.08052	2.3
149.05960	3.7
151.03864	1.1
151.07594	1.0
155.04892	1.4
159.02931	4.8
159.08115	3.4
160.05199	1.5
161.06004	17.1
162.06754	1.6
163.07495	1.7
164.06958	0.9
173.05933	1.0
175.07565	26.4
177.03986	1.0
177.05467	1.0
177.09131	1.6
187.07529	8.5
187.82709	0.9
189.09145	1.4
190.07764	2.2
191.08556	8.0
193.08618	1.4
199.07555	4.2
202.07738	1.2
203.08563	1.6
205.06650	0.9
205.08572	1.8
207.08154	0.8
213.03957	0.9
217.08560	0.9
218.07338	1.3
219.08076	13.4
220.08839	1.9
224.57784	1.1
229.08716	0.8
231.05081	2.6
231.08080	3.1
232.08781	1.0
233.09610	1.1
235.07536	1.4
236.08348	3.3
237.08955	0.9
247.07558	5.5
248.08449	2.4
251.10712	18.1
253.08774	1.1
255.06503	6.0
256.06927	5.5
259.07681	2.3
260.08273	1.4
261.09045	1.8
263.10745	1.0
264.07748	1.6
265.08542	1.3
271.06024	0.9
276.07828	1.0
277.08893	1.2
279.10196	14.4
280.10861	1.7
281.08185	1.2
283.09952	1.0
291.10178	6.5
292.10986	1.3
296.10471	1.5
303.10190	1.9
309.11096	0.9
311.12808	49.6
321.11368	2.0
323.12872	16.6
333.11212	2.5
335.12793	3.3
341.13828	5.4
353.13867	4.2
359.12845	0.9
377.13806	1.3
401.13962	3.9
419.14908	1.9
460.42728	1.2
523.15845	3.0
529.09393	0.9
541.17096	2.5
559.17950	2.5
592.22931	1.0
616.61011	0.8
624.25378	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01858	3.7
55.05516	12.6
55.80788	1.0
56.31921	1.2
57.03423	5.1
61.02928	16.9
64.37080	1.1
65.03928	2.0
67.05504	24.0
69.03416	5.2
69.07076	11.4
71.04993	3.2
71.06919	1.7
73.02902	5.0
79.05488	22.1
81.03397	3.1
81.07061	23.0
83.04980	2.3
83.08617	9.3
85.02907	16.6
85.06531	1.5
91.03976	10.0
91.05483	27.8
93.07043	20.6
95.04946	3.0
95.08612	15.4
95.78823	1.1
97.02893	10.8
97.06500	4.0
97.07077	1.1
97.10154	2.6
103.05451	3.2
105.03408	1.2
105.07030	21.5
107.04942	5.0
107.08575	8.8
109.02930	1.3
109.06509	4.1
109.10166	6.6
111.08086	1.8
115.05439	2.7
117.07023	19.1
119.08580	14.6
121.06500	5.1
121.10185	5.8
123.08035	3.4
123.11691	1.1
125.09579	1.4
127.03909	2.8
128.06215	4.7
129.07010	24.9
131.08569	28.9
133.06483	2.9
133.10165	9.0
134.92238	1.1
135.08044	3.2
135.11696	4.0
137.09616	2.1
141.06978	10.5
142.07751	2.5
143.08572	21.4
145.06464	4.1
145.10115	13.0
147.08078	5.5
147.11667	3.7
149.09573	6.0
149.13335	1.5
151.11189	1.3
153.06949	1.6
155.08578	14.9
157.06441	1.4
157.10143	12.1
159.08064	3.1
159.11716	8.4
161.09544	1.5
161.13177	1.3
163.11136	1.5
165.12843	1.6
167.08583	8.0
168.09427	1.2
169.10117	12.2
171.07973	2.1
171.11697	6.9
173.09618	3.4
173.13309	2.3
175.09753	1.2
175.11183	2.8
179.08514	5.1
181.10100	9.7
182.10809	1.6
183.11679	8.0
185.09639	1.6
185.13274	5.7
187.11142	2.8
187.14772	1.6
189.12688	1.4
193.10121	3.8
194.10941	1.2
195.11711	8.3
197.09592	1.9
197.11688	1.2
197.13251	7.3
199.11078	1.9
199.14810	3.1
201.12872	1.6
201.16496	1.5
203.14401	1.3
204.09074	1.1
205.10045	1.6
207.11693	3.1
209.13307	4.8
211.11203	2.5
211.14787	2.7
213.12743	3.1
215.14322	6.4
217.15956	1.9
221.13210	7.4
223.14757	4.9
225.12796	1.8
225.16434	2.0
227.14255	2.0
233.13202	2.2
233.15399	2.0
235.14825	3.5
239.14377	5.2
239.18066	1.2
241.14017	1.3
243.13712	1.8
245.15546	1.1
247.14867	2.0
249.16455	1.4
253.15903	3.5
257.15265	3.0
271.06131	2.1
271.16913	3.6
285.18646	1.6
292.79163	1.2
303.19693	1.6
305.22665	1.1
315.21112	2.4
323.23608	4.8
333.22119	11.7
341.24664	4.3
351.23175	38.5
352.23709	1.4
369.24216	27.7
387.25342	15.6
415.28351	1.6
425.26871	8.4
433.29443	2.1
434.31168	1.1
443.27957	100.0
461.28989	68.6
463.80075	1.2
503.57147	1.4
505.94165	1.5
605.33008	1.7
623.15070	4.5
623.33966	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	623.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.3
55.01865	6.8
55.05508	21.8
57.03439	7.9
58.36588	4.1
59.04998	5.9
61.02914	13.4
61.08105	3.8
65.03930	5.0
67.05518	21.1
67.05799	4.1
69.03427	28.8
69.07064	21.7
70.06574	10.2
70.34744	3.8
71.04984	11.1
71.57240	4.3
73.02923	5.6
73.06576	3.4
77.03974	4.2
79.05502	24.3
81.03434	25.2
81.07061	71.7
83.04985	6.5
83.08611	8.7
84.08113	8.1
85.02495	4.8
85.02915	48.8
85.06549	11.4
87.00822	18.9
87.04479	6.3
87.78883	4.5
89.03960	4.9
89.06028	5.0
91.03962	6.2
91.05488	27.2
93.07060	57.4
95.04974	15.8
95.08046	6.9
95.08617	79.9
97.02905	28.1
97.06535	12.8
97.10163	17.7
99.04449	11.9
99.08087	9.6
105.01880	10.9
105.07037	60.8
107.08599	66.7
109.02885	28.3
109.06507	12.0
109.10164	48.8
111.08083	10.3
113.37120	4.5
117.07006	11.0
119.04949	11.9
119.08591	66.5
121.02888	6.6
121.06513	4.1
121.10149	52.2
123.08058	6.0
123.11721	22.7
125.09638	12.8
127.03928	39.5
129.06985	5.5
131.08588	19.6
133.10146	53.1
134.48877	4.1
135.08038	7.1
135.11694	43.1
137.05978	11.2
137.09622	13.7
137.13216	5.1
139.11185	11.8
143.08629	6.2
143.10686	6.2
145.02834	5.5
145.04984	7.5
145.10098	28.7
147.11705	54.4
149.09630	5.7
149.13257	22.6
151.11189	13.6
153.12746	7.2
157.10051	8.8
159.02898	11.1
159.11710	22.4
161.13231	21.3
163.07506	4.8
163.11182	12.9
163.14812	8.8
165.12761	14.1
167.07021	5.4
171.11745	5.7
172.85152	4.1
173.13252	22.9
175.03889	9.2
175.14836	14.4
177.12801	5.9
181.12344	4.9
187.14774	19.5
191.14313	31.4
193.15961	7.7
195.13861	6.1
199.14893	5.4
205.15750	7.9
207.06557	16.1
209.15416	84.9
211.14767	5.4
217.12253	6.2
227.16443	72.7
255.06525	40.7
257.22653	6.0
267.21115	13.7
271.05984	34.7
273.22079	5.8
275.23682	7.0
283.10754	6.5
285.22162	22.8
291.23129	24.5
301.07031	9.3
303.23190	100.0
307.06168	6.2
309.07538	5.5
311.10034	6.1
321.24219	49.1
323.09573	5.1
337.10547	4.9
339.25369	21.8
357.26285	11.1
431.14670	6.1
623.24182	6.1
623.35309	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33710	0.3
53.03949	0.6
55.01865	1.5
55.05512	3.0
57.03428	0.6
57.07059	0.6
58.81447	0.3
67.05512	5.4
69.07079	2.3
79.05492	5.3
81.07054	4.9
82.80637	0.4
83.04967	1.4
83.08630	1.5
91.05476	4.5
93.07056	4.3
95.04978	1.0
95.08621	2.3
96.24792	0.3
97.06532	1.8
97.10187	1.5
105.07035	4.5
107.04981	1.2
107.08603	3.7
107.84338	0.3
109.10172	2.0
117.07021	2.3
119.08571	3.1
121.10181	1.2
123.08084	0.5
125.08750	0.4
125.09669	1.1
129.07002	0.8
130.07841	0.4
131.08589	2.0
133.10120	1.9
135.08084	0.6
135.11668	0.4
140.75641	0.3
141.06996	0.7
143.08604	1.0
145.10118	2.8
147.08047	0.4
147.11697	1.3
149.09581	1.6
155.08603	1.0
157.10146	1.2
159.11742	1.3
161.09700	0.4
161.13284	0.5
169.10211	0.9
171.11702	1.1
173.13251	0.5
175.15021	0.3
179.14456	0.4
181.10114	0.4
183.11711	0.6
185.13289	0.6
189.11267	0.8
195.11644	0.4
197.13310	0.9
207.11768	0.6
209.13264	0.5
211.14832	0.5
221.13322	0.4
239.18066	0.4
257.19028	1.5
271.06058	1.3
275.20078	5.1
293.21207	0.6
331.22754	0.3
349.23740	0.6
387.16022	0.6
388.16769	0.4
389.17758	1.1
390.18564	0.5
391.19232	0.4
401.17700	1.1
402.18387	0.9
403.19528	2.1
404.20081	1.0
405.20834	1.3
415.19449	0.9
416.20209	1.1
417.17053	1.7
417.20987	1.6
418.17426	0.5
418.22263	0.6
419.22440	4.3
429.16214	0.5
429.21317	0.8
430.17606	1.1
430.22488	0.6
431.17706	3.6
431.22998	1.6
432.19150	1.6
433.19815	1.7
443.18604	3.6
443.28107	0.4
444.19479	1.3
445.20129	7.9
446.20932	5.0
447.22070	4.5
448.22598	0.5
449.23560	1.5
457.20297	1.1
458.20984	1.5
459.22147	3.5
461.19437	0.9
462.20551	1.5
463.21335	1.8
473.23676	0.6
475.21512	1.5
476.21994	5.1
477.23001	5.4
489.22998	1.4
491.20602	0.5
503.24347	1.0
505.22208	1.0
521.22192	1.0
521.82886	0.4
525.36023	1.1
531.24072	0.8
531.38837	0.5
533.25500	14.7
535.23785	1.3
548.24005	0.6
560.24561	0.4
563.26526	17.6
565.27301	0.4
592.27002	0.5
593.27515	3.5
605.27612	1.5
605.42542	1.6
623.28650	100.0
623.43054	9.4
624.28784	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.2
53.96300	3.1
54.75058	2.3
55.01868	7.6
55.05501	9.7
56.96556	2.9
57.03432	6.5
57.07059	3.3
57.42262	2.8
61.02914	8.5
67.05511	26.0
68.99795	2.8
69.03429	24.9
69.07073	22.2
70.06576	3.3
71.04989	7.1
71.56783	3.7
73.02913	5.5
76.23617	3.1
79.05499	20.9
81.03420	24.0
81.07064	100.0
83.04969	11.6
83.08628	8.5
84.08149	14.4
85.02910	45.8
85.06548	4.9
86.09706	4.8
87.00832	20.9
87.04463	4.8
91.05491	16.2
93.07049	29.0
95.04980	7.2
95.08619	35.0
97.02898	33.9
97.06526	8.0
97.10162	12.7
99.04483	12.2
105.01846	20.4
105.07038	26.6
107.04980	3.6
107.08586	27.7
109.02904	22.1
109.06503	10.5
109.10165	30.1
111.04426	8.3
111.08061	3.0
117.07001	6.6
119.04917	4.2
119.08589	21.3
121.06517	4.7
121.10143	22.0
122.86370	2.6
123.04418	3.7
123.11711	60.2
125.09603	4.3
127.03930	43.8
127.07553	6.3
127.11378	2.9
131.04951	3.6
131.08588	12.4
133.10149	16.8
135.11705	32.5
137.05949	10.3
137.09587	3.9
137.13254	7.3
139.11189	6.2
141.12733	8.0
143.08582	4.4
145.04964	14.3
145.06468	3.5
145.10133	10.1
147.04356	3.1
147.11717	20.1
149.09554	3.3
149.13272	5.4
151.07527	7.4
153.12723	7.9
157.06448	3.1
157.10162	4.2
157.12225	4.3
159.02924	3.1
159.11699	11.2
161.13214	4.6
163.11153	3.2
165.12723	3.3
167.07124	3.1
169.12256	8.3
171.11652	4.4
171.13782	4.7
173.13281	5.2
175.07684	3.0
175.11279	2.6
177.05463	4.8
177.12724	4.9
177.16425	3.2
181.12202	5.2
187.13335	49.2
187.14847	4.9
193.06433	4.8
199.07533	5.8
201.00769	3.1
207.06528	6.5
213.03964	6.8
213.18442	4.7
218.86246	2.8
227.07094	2.9
231.05046	9.0
255.06544	52.9
259.12265	3.3
267.21143	3.8
271.06088	32.0
275.23685	8.4
285.22159	6.6
291.23074	6.0
303.23203	44.9
321.24203	31.9
339.25204	3.8
375.30676	3.0
399.16544	11.0
417.17523	4.6
579.27747	3.2
591.41150	3.2
623.25024	4.3
623.36621	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
57.07069	0.6
65.39050	0.6
67.05507	1.2
70.38035	0.6
71.56738	0.9
76.13157	0.6
79.05493	1.3
79.42371	0.5
81.07049	1.5
85.11044	0.6
91.05479	1.2
93.07014	0.9
95.04962	0.7
95.08614	1.0
102.79172	0.6
105.07024	1.0
107.08620	1.2
114.14933	0.6
117.07035	0.6
121.10177	0.7
134.25705	0.7
167.08659	0.6
271.06122	2.0
387.16211	0.8
389.17691	4.0
391.19083	3.2
403.19455	3.4
404.19794	1.3
405.20840	8.6
406.21664	1.6
416.19965	0.8
417.16495	6.3
418.17743	2.2
419.18335	3.8
421.20886	0.6
429.20737	0.7
431.18112	4.9
432.19446	7.0
433.20169	9.5
443.19037	0.9
445.20303	3.0
449.23520	1.5
459.21985	2.4
461.19235	3.1
462.20554	0.8
463.21582	2.1
475.21747	1.6
476.22192	4.4
477.23489	4.5
489.22858	1.9
491.24567	1.6
519.23938	22.3
521.21826	0.8
545.25714	0.8
551.26526	1.1
563.26538	14.4
579.25806	5.4
605.42401	0.8
612.66302	0.7
623.28656	100.0
624.28906	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18822	0.3
55.05498	0.5
55.96234	0.3
57.07073	0.5
59.05008	0.7
67.05506	0.6
69.88554	1.4
71.08620	0.6
72.79459	0.3
76.44599	0.3
79.05495	0.3
79.26629	0.3
81.07065	0.5
85.10168	0.3
89.06027	1.0
91.05487	0.3
95.08620	0.5
106.07255	0.3
114.47703	0.3
117.76881	0.3
119.08627	0.3
133.08618	0.3
133.12437	0.3
138.79558	0.3
145.10188	0.3
193.63612	0.2
200.32004	0.3
209.10831	0.3
215.15091	0.3
223.12398	0.4
235.12373	0.3
289.18137	0.3
389.17908	0.7
390.18637	0.3
391.19305	0.9
392.19940	0.7
401.17911	0.5
402.18741	0.6
403.19400	1.4
404.20111	0.8
405.21063	1.7
406.21371	0.3
407.22418	0.8
415.19431	0.9
416.20099	0.6
417.16888	1.2
417.21756	1.8
418.17343	0.6
418.22180	0.4
419.17566	0.4
419.22812	3.2
420.23181	0.8
421.23767	0.6
429.16537	0.6
429.21399	0.6
430.17874	1.1
431.18030	3.0
432.18594	0.5
432.23422	0.7
433.20245	5.0
434.21375	0.4
435.21780	0.8
441.16983	0.3
443.18695	1.1
444.19012	1.7
445.19827	4.2
446.21030	3.0
447.21902	4.7
448.22668	1.1
449.23550	0.5
457.20261	0.4
458.20886	5.2
459.21780	5.1
460.22751	3.3
461.19861	0.9
462.20667	0.5
463.21207	2.1
471.22635	0.3
472.22537	0.5
473.23370	1.0
475.21448	0.9
476.21756	1.3
477.22940	2.0
485.23810	0.6
486.24435	0.8
489.18744	0.4
489.23587	0.3
490.24207	0.4
491.24423	0.5
503.24295	0.3
504.25085	0.6
504.32053	0.3
505.21765	1.4
507.27631	0.3
517.22333	0.9
518.23132	4.7
519.23669	0.5
521.22266	1.1
530.23450	0.7
531.24030	0.6
532.24951	0.6
533.25610	7.9
535.27649	1.7
545.25476	4.0
546.26019	0.8
548.23712	0.3
549.25073	0.4
563.26483	7.2
573.24988	1.1
577.27899	0.8
591.26111	0.9
605.27594	10.6
623.28656	100.0
624.28888	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43250	0.6
64.38287	0.7
71.09248	1.3
110.94798	0.8
127.96182	0.6
139.98048	0.6
154.20903	0.6
223.12376	0.7
237.13925	0.7
262.17242	0.7
280.08212	0.7
377.17560	0.8
380.12982	0.8
390.18719	0.8
391.19302	2.4
392.20010	2.5
393.20932	1.7
399.16129	1.0
400.16843	0.8
401.17761	1.9
403.20178	1.0
404.20508	1.4
405.20917	3.5
406.21649	4.0
407.22339	9.8
413.17734	1.3
414.18433	3.0
415.19318	4.6
419.22812	1.5
420.23132	2.5
421.23923	10.0
422.24606	2.4
427.19519	1.4
428.20059	1.6
429.20926	11.3
430.21677	2.0
431.18350	1.4
433.24738	1.3
442.21698	1.3
443.22748	6.5
444.23514	3.8
445.20331	2.3
447.17398	1.4
456.19803	0.8
457.23807	2.7
458.25000	6.0
459.21872	6.2
460.22885	1.6
461.18896	3.6
462.20313	1.7
463.21378	1.1
470.20837	1.3
471.22092	1.5
472.22607	6.3
473.23376	2.7
474.20453	1.1
475.21091	5.5
476.21716	4.6
477.23083	2.5
478.23306	1.2
485.23523	13.2
486.20490	2.7
486.25095	1.2
487.20612	1.1
488.22211	1.8
489.22925	3.0
493.26050	1.0
499.21262	4.9
500.21823	1.4
501.22574	0.9
502.23550	1.5
503.24576	6.7
513.22705	3.3
514.23969	1.1
517.26196	8.7
529.25604	2.2
531.23810	1.0
535.27258	6.3
545.25513	79.4
546.25909	1.6
563.26788	0.7
564.27557	2.0
567.00836	0.8
573.25006	16.2
591.26208	1.3
605.27600	85.6
606.27966	1.5
623.28662	100.0
624.28723	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94993	0.3
57.07011	0.6
57.74485	0.3
59.04942	0.6
59.90158	0.2
67.05441	0.4
71.08560	0.6
75.32536	0.2
81.06973	0.3
84.42004	0.2
85.10093	0.8
89.04725	0.3
89.05945	0.7
89.06437	0.3
93.06931	0.4
94.29475	0.3
104.44029	0.3
125.65704	0.2
133.08510	0.7
137.00917	0.3
149.47102	0.3
167.18088	0.3
187.41992	0.3
196.10039	0.3
211.12195	0.3
237.13802	0.3
271.05823	0.3
289.17343	0.3
348.15164	0.3
387.16193	0.4
389.17795	0.5
390.18481	0.3
391.19052	0.3
402.18854	0.4
402.66440	0.3
404.20654	0.5
405.20657	0.5
406.21548	0.3
407.22348	0.3
412.18069	0.4
413.17892	0.6
414.18250	0.9
415.19269	1.9
416.20062	0.9
417.16269	0.5
417.21222	0.4
418.17630	0.5
419.22223	1.2
427.19324	1.1
428.20163	1.0
429.20935	4.4
430.21503	1.0
431.18536	1.0
432.19061	0.7
433.19443	0.8
433.23898	1.0
434.20819	0.8
442.21967	0.7
443.22574	3.3
444.23541	2.7
445.23935	1.3
447.22729	1.8
448.22122	0.5
449.23444	1.3
455.18698	0.5
456.19455	1.0
457.19244	0.6
457.24036	1.2
458.25095	2.1
459.21472	2.7
460.23425	1.3
461.18597	0.7
461.23383	1.8
462.20300	1.5
463.21216	0.4
470.20978	0.7
471.22055	0.9
472.22632	3.9
473.23776	2.2
474.20456	0.8
475.20956	1.3
476.22064	1.6
477.22604	2.7
485.23367	5.4
486.24133	1.1
487.25348	3.3
488.22333	0.5
489.22552	1.0
502.23495	0.5
503.24564	2.6
504.24921	0.4
507.24033	0.3
513.22546	0.4
517.26196	4.1
518.23413	0.4
519.23865	1.0
520.25018	0.6
521.21759	0.8
527.24512	0.6
531.23907	4.5
535.25769	0.9
545.25494	46.9
546.26331	1.3
548.24353	0.8
562.25342	0.3
563.26404	12.1
573.25287	0.6
577.28131	0.8
591.25781	1.2
594.25787	0.3
595.29047	0.5
605.27582	4.0
623.28601	100.0
624.28882	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1763
Annotation	Naringenin 7-[3-acetyl-6-p-coumaroylglucoside]
Peak:m/z	Relative Intensity
55.01871	0.2
65.03956	0.2
68.99797	0.2
69.03427	0.1
69.43358	0.5
81.03422	0.4
81.07040	0.1
85.02909	0.1
85.28705	0.1
89.03960	0.1
91.05485	1.7
98.97572	0.1
103.05429	0.1
105.03374	0.1
109.02868	0.1
117.18917	0.1
119.04956	1.7
121.02886	0.2
127.03944	0.1
127.09863	0.1
128.06221	0.3
129.06999	0.4
131.04921	0.2
131.08566	0.1
133.02870	0.4
134.03636	0.1
137.02342	4.5
141.07007	0.1
143.08556	0.3
145.02879	0.9
147.04399	1.1
149.02362	0.5
152.06219	0.1
153.06981	0.9
157.03949	0.1
157.06522	0.7
162.29521	0.1
165.07074	0.1
167.03508	0.1
169.06509	0.2
171.08075	0.7
175.03923	1.7
181.06485	1.9
184.05235	0.2
185.05951	0.2
197.05832	0.1
198.06627	0.1
199.07550	7.4
207.06543	4.7
209.05887	0.2
210.06755	0.1
211.07611	0.3
226.06148	0.1
227.07039	3.7
235.62213	0.1
237.05473	1.4
255.06529	100.0
256.06924	0.8
260.88934	0.1
271.06015	0.2
285.07797	0.1
351.10834	0.4
369.11774	0.3
623.17096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1244
Annotation	Apigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
52.76078	0.1
54.25758	0.1
67.01845	0.4
68.99805	0.3
69.03405	0.2
70.06559	0.2
71.01331	0.2
71.55956	0.1
73.02885	0.3
85.02909	1.1
91.05453	0.3
95.01284	0.3
95.01837	0.1
97.02856	0.2
98.06074	0.1
103.03927	0.2
109.02837	0.1
111.57670	0.1
113.02361	0.2
119.04212	0.2
119.04945	1.6
121.02878	0.7
129.01793	0.1
131.03360	0.1
137.02342	0.2
137.05911	0.2
141.01819	0.7
145.02820	0.6
149.49030	0.1
153.00578	0.2
153.01833	3.9
159.02861	0.2
163.03860	0.4
171.02858	0.4
187.03889	0.2
210.86487	0.1
225.05467	0.2
229.04965	0.3
233.79083	0.1
243.06505	0.2
247.06003	0.3
271.06015	100.0
272.06406	0.8
289.07068	0.1
295.05939	0.2
299.05411	0.1
311.05521	0.2
313.06787	0.2
325.07123	0.2
337.06900	0.3
341.06601	0.2
381.03375	0.1
427.03439	0.2
447.09296	4.0
457.11142	0.2
497.11066	0.2
543.08032	0.2
589.02234	0.1
623.12390	4.1
623.22290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	5.3
63.94926	0.5
67.07867	0.5
67.26443	0.5
68.28676	0.5
69.03432	0.6
70.06596	1.4
71.56863	0.5
73.02904	1.2
73.06554	2.2
81.03429	0.7
84.08157	0.6
85.02921	1.3
87.04473	14.2
89.06037	100.0
91.05485	1.4
91.07636	0.6
93.59447	0.5
95.04941	0.5
97.06519	0.5
101.06004	0.6
103.05477	1.1
103.06950	0.4
103.07585	2.4
105.07024	0.7
107.04977	0.6
107.07085	1.8
112.07574	0.5
117.09192	1.5
127.03957	0.6
129.10205	0.5
130.08693	1.1
131.04926	1.6
131.06172	0.5
131.07037	3.1
133.02805	0.4
133.08611	60.0
135.10187	0.9
136.07578	0.7
137.05994	2.3
138.06334	0.7
147.04414	0.8
147.10141	1.0
149.05998	0.8
155.61154	0.5
157.08710	0.5
163.07631	0.6
164.07043	0.5
175.03955	0.6
175.09669	2.5
177.05484	1.5
177.11232	24.4
190.06284	0.6
191.12776	1.0
207.06520	0.6
221.08180	2.0
221.13847	6.0
233.11838	1.0
234.12192	0.6
235.12376	0.6
237.13235	0.5
238.79831	0.6
239.14906	0.7
240.10960	1.8
250.14452	0.6
253.10976	0.8
254.11305	0.8
255.06682	0.6
256.13907	0.5
265.16602	1.8
271.06097	1.1
283.17520	1.7
293.09970	0.6
307.06418	0.6
309.04028	1.6
309.19165	1.5
310.10797	0.7
311.11209	0.9
321.18524	0.6
327.20267	1.3
329.36279	0.6
353.21753	1.4
393.06024	0.7
397.24405	0.6
459.27750	0.9
475.97507	0.5
496.86636	0.6
503.30603	1.3
547.25287	1.0
547.33319	12.0
590.22693	2.3
605.37201	3.4
622.24634	1.8
622.40338	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1236
Annotation	Apigenin 7-glucuronosyl-(1->2)-glucuronide
Peak:m/z	Relative Intensity
55.01850	0.1
65.10405	0.1
67.01876	0.4
68.99464	0.1
68.99795	0.4
69.03386	0.1
70.34089	0.1
70.77234	0.1
71.01311	0.4
71.12088	0.1
71.56667	0.1
71.57053	0.1
73.02883	0.3
79.24926	0.1
85.02911	1.0
91.05452	0.3
95.01308	0.2
95.15015	0.1
97.02894	0.1
99.02135	0.1
111.00781	0.1
113.02335	0.3
119.04253	0.1
119.04953	1.5
121.02866	0.7
121.37006	0.1
129.01878	0.1
131.03397	0.2
137.16856	0.1
141.01836	0.8
145.02866	0.6
153.00571	0.2
153.01828	4.2
159.02827	0.3
163.03891	0.3
171.02849	0.3
187.03912	0.2
207.09178	0.1
221.10736	0.2
225.05489	0.3
229.04984	0.3
243.06538	0.3
247.06091	0.2
267.11484	0.1
270.05090	0.1
271.06012	100.0
272.06311	0.9
277.05136	0.1
297.10934	0.1
308.12897	0.1
313.06989	0.1
325.10840	0.1
328.15723	0.1
353.32239	0.1
357.17941	0.5
429.08301	0.1
447.09268	4.1
538.82477	0.1
623.12463	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	621.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35261	1.0
69.35686	1.1
79.14000	0.3
106.88667	0.3
106.89450	0.3
129.47527	0.3
195.09096	0.3
221.10620	0.6
224.27527	0.3
228.87347	0.3
298.13287	0.3
323.14264	0.3
373.14859	0.4
374.15378	0.5
375.16028	1.0
384.16208	0.3
387.16046	0.8
388.16824	1.4
389.17563	2.9
390.18680	1.5
391.19000	0.9
401.18124	1.3
402.18976	1.7
403.19440	5.2
404.20056	2.9
405.20770	1.6
413.17523	0.3
415.19128	1.2
416.15466	1.6
416.20657	0.7
417.16003	3.9
417.20975	2.8
418.16888	0.5
418.21460	1.4
419.22403	8.7
420.23123	0.6
429.16867	0.6
429.21695	0.4
430.17532	1.7
431.18073	7.8
431.23495	0.7
432.19196	2.3
433.20200	1.8
443.18887	0.6
444.19608	0.5
444.91037	0.3
445.20224	6.4
446.20981	5.4
447.21860	10.8
448.22464	0.4
457.20453	0.4
458.21109	0.6
459.17572	1.6
459.21973	2.3
460.18851	1.3
461.19708	0.9
463.20242	0.3
473.19699	1.3
473.24493	0.4
474.20425	11.2
475.21298	16.1
487.21405	5.0
488.22144	1.7
491.20303	0.3
501.23129	2.5
502.23651	0.6
505.26990	1.3
517.22333	0.4
518.23151	0.6
519.20532	0.9
529.22418	0.5
531.23639	0.4
533.25568	12.1
546.22845	1.2
561.25000	71.6
562.25354	2.0
565.27765	0.4
589.24469	1.9
593.27667	3.3
621.27112	100.0
622.27155	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	621.2712
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.65897	0.5
55.05498	0.6
67.05522	0.6
71.56792	0.8
73.23003	0.4
79.05482	0.9
81.07068	1.0
81.21727	0.5
91.05492	0.9
93.07068	0.8
95.08612	0.6
105.07062	0.9
117.07044	0.8
119.08543	0.6
129.13193	0.4
259.28986	0.5
325.12210	0.5
336.00211	0.5
374.15750	0.6
375.16330	0.7
387.16165	0.8
389.17816	2.5
390.18585	1.6
391.19397	0.9
401.17606	0.8
402.14291	0.7
402.18887	1.2
403.19452	4.2
404.20169	1.9
405.20786	2.0
416.16019	1.1
417.16257	4.1
417.21222	1.9
418.21674	1.7
419.22290	6.6
429.21317	0.6
430.17889	1.6
431.18207	6.1
432.19366	2.7
433.20358	2.0
435.22266	0.5
444.19626	0.7
445.20114	5.8
446.20981	5.0
447.21902	8.6
459.21768	2.2
460.18271	0.8
461.19962	0.9
473.19482	1.7
473.24481	0.9
474.20358	5.0
475.21310	8.1
487.21310	3.6
488.22198	1.2
491.20593	1.1
501.23196	1.4
505.26270	1.0
518.23053	0.7
519.20319	0.6
533.25592	14.5
561.25000	20.8
562.25708	0.6
565.27875	0.7
589.24750	1.0
593.27222	3.2
621.27118	100.0
622.27478	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	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.04885	0.3
62.05827	0.3
62.09481	0.3
67.28704	0.2
69.57733	0.3
69.58044	2.1
75.33442	0.3
81.02575	0.4
195.09146	0.4
207.09341	0.3
269.49667	0.3
346.45779	0.3
374.15475	0.4
375.15964	0.9
376.17191	0.3
387.16205	0.9
388.16776	0.7
389.17657	2.3
390.18481	0.7
391.19067	0.6
401.17917	0.8
402.18671	1.0
403.19464	4.3
404.19962	2.0
405.20596	2.6
415.19391	0.6
416.15775	0.5
416.20569	0.6
417.16238	3.6
417.21405	1.4
418.17120	0.5
418.21796	1.0
419.22348	7.6
420.23343	0.4
429.17072	0.4
430.17679	0.9
430.22540	0.5
431.18164	6.0
432.19229	2.9
433.20062	2.1
443.18668	0.4
444.19781	0.4
445.20087	6.2
446.20975	5.0
447.21802	8.5
448.22775	0.5
458.21454	0.4
459.17337	0.6
459.23129	1.6
460.18094	0.4
460.23193	0.5
461.19751	1.3
472.18793	0.3
473.19147	0.8
473.23901	1.2
474.20398	6.0
475.21243	6.8
477.23236	0.4
479.24158	0.4
487.21356	2.8
488.21902	0.6
490.23532	0.4
491.20847	1.0
501.23260	1.6
505.26898	1.9
519.20374	0.8
520.24957	0.3
529.22736	0.5
533.25531	14.5
561.25018	19.9
562.25653	0.6
589.24103	0.7
593.27777	3.8
621.27100	100.0
622.27344	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88091	0.6
55.05499	1.0
56.05036	2.0
56.96570	4.1
57.03444	1.0
58.06595	1.2
60.08170	6.2
64.24116	0.6
67.05514	2.3
71.07375	4.8
71.55977	1.0
72.08157	0.7
74.50229	0.7
81.07056	2.2
84.96033	0.8
86.09715	22.4
91.05491	0.8
102.92632	1.1
104.10753	100.0
105.07094	0.7
109.10186	1.0
110.97590	0.6
118.92096	1.2
125.00013	1.4
128.98671	0.8
132.09167	0.6
136.49747	0.7
136.93048	3.9
139.52936	0.7
147.70517	0.6
154.94160	4.2
162.94742	2.7
172.95277	4.2
180.95740	8.6
198.96820	19.6
210.96867	1.9
216.97845	8.9
221.98445	2.1
228.97926	2.8
239.99423	0.8
240.09950	2.0
254.99382	1.9
300.05170	0.8
319.19431	14.1
337.20493	16.4
360.21948	3.2
443.18790	1.6
455.19128	1.9
473.20007	4.5
499.21353	4.4
502.26111	8.0
506.73740	0.9
558.28699	17.7
559.28241	0.8
618.23029	1.7
618.30963	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	619.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	0.2
67.05531	0.2
68.14654	0.2
68.37730	0.2
69.83110	0.3
69.83518	0.8
71.04984	0.2
71.08641	0.2
79.05475	0.2
81.07076	0.5
83.08617	0.3
87.04483	0.6
89.06039	0.2
91.05495	0.3
93.07041	0.2
95.08628	0.4
95.22787	0.2
97.06540	0.2
98.20969	0.4
105.07066	0.2
109.10154	0.2
111.31356	0.2
119.08632	0.2
121.10141	0.2
145.10150	0.2
151.46280	0.2
219.17923	0.2
220.25569	0.2
223.14879	0.2
267.15640	0.2
338.94135	0.2
478.71341	0.2
619.43872	100.0
620.44330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
55.01883	6.1
55.05516	31.5
57.07078	25.2
59.05000	9.6
61.13461	4.6
65.03939	5.3
67.05504	49.0
69.03426	16.3
69.07050	23.8
70.00558	4.0
70.03583	18.2
71.04999	6.3
71.08640	6.4
79.05489	43.0
81.07058	51.6
83.04978	29.6
83.08611	19.0
85.06543	12.0
85.10127	7.1
85.14196	5.6
87.04481	6.4
89.06033	12.0
91.05484	68.3
93.07048	82.1
95.04991	24.7
95.08612	38.3
97.06536	24.1
98.21417	6.4
105.07034	94.1
107.04976	5.6
107.08597	81.3
107.68029	6.1
109.06523	27.2
109.10168	39.4
113.09654	8.1
115.05455	5.3
117.07016	27.8
119.08586	81.9
121.06520	12.9
121.10156	98.6
123.08075	18.3
123.11687	10.6
125.06017	28.7
125.09628	21.6
128.06229	16.2
129.06987	18.6
130.07817	10.7
130.54684	4.9
131.08577	52.1
133.06473	5.5
133.08617	13.0
133.10156	44.2
135.08041	18.5
135.11687	16.4
137.09639	14.7
139.11156	5.9
141.07005	8.3
142.07802	34.6
143.08563	45.0
144.09325	14.2
145.10114	100.0
147.08041	18.2
147.11688	21.8
149.09634	21.2
149.13286	6.0
151.07491	7.6
155.08585	24.5
155.10641	7.3
156.09370	13.8
157.10139	59.3
158.11003	6.0
159.08078	19.1
159.11714	39.5
161.09637	17.2
161.13289	5.3
163.11200	37.1
165.07066	5.4
165.09100	11.4
167.08577	8.4
167.10674	77.7
168.09373	11.7
169.10156	36.4
170.10912	8.5
171.07991	6.4
171.11717	30.1
173.09579	5.2
173.13290	16.4
175.11205	16.1
179.08556	12.6
181.10167	18.8
181.12224	45.6
182.10930	9.8
183.11681	26.9
185.13258	15.2
187.11186	9.2
189.12750	11.9
191.14339	12.1
193.10162	17.3
194.10918	8.8
195.11751	25.1
196.12433	6.6
197.13309	27.2
199.11145	6.5
199.14883	9.6
201.12794	8.8
203.14397	9.8
207.11716	15.5
207.13831	8.8
208.12401	6.5
209.13280	13.7
211.14789	11.2
213.12766	5.7
215.14314	12.0
220.12532	6.1
221.13246	18.5
221.15401	25.1
222.13873	5.5
223.14851	19.6
225.12880	7.1
233.13283	9.8
233.15390	30.4
235.14865	11.7
237.16322	9.6
241.15823	7.1
247.14781	11.9
261.16388	12.0
263.18018	8.1
269.19003	9.8
281.19006	5.7
283.20514	4.9
287.17953	6.6
311.20081	6.5
379.26102	7.0
562.77997	6.1
599.40668	14.6
617.42169	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	616.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35027	0.5
50.72448	0.4
55.05510	0.7
56.05034	1.4
56.96579	4.1
58.06586	0.9
60.08167	6.1
67.05502	2.2
69.03415	0.5
69.44106	0.5
69.44460	3.8
71.07386	4.8
72.08162	1.2
73.70959	0.5
79.05482	1.4
81.07054	2.3
81.07462	0.6
83.08613	0.5
86.09714	23.3
89.06113	0.5
91.03947	0.6
91.05479	1.3
93.07047	1.2
95.08603	0.7
97.02911	0.8
97.96857	0.5
98.97604	0.8
102.92618	0.8
104.10750	100.0
110.97617	0.9
118.92110	1.4
119.08559	0.6
121.10188	0.6
125.00025	2.2
128.98619	1.3
136.93105	2.7
145.10129	0.5
154.94171	4.2
155.43330	0.5
161.86682	0.5
162.94737	2.0
172.95256	4.3
180.95752	7.7
181.02603	0.5
181.41689	0.5
184.07332	6.1
190.96300	1.6
198.96808	17.3
210.96765	1.4
216.97881	7.2
221.98419	1.8
227.09489	0.5
228.97905	1.8
233.98282	0.6
236.98384	0.9
239.99516	0.8
240.09879	2.5
254.99475	1.1
255.74333	0.5
258.04303	0.8
269.10626	0.8
282.04065	1.2
287.11725	0.5
300.05386	1.4
314.06799	0.8
317.17914	28.1
335.18930	9.1
358.20544	2.6
373.20526	1.2
412.14999	0.7
437.17468	1.7
441.17331	1.2
453.17102	3.4
471.18216	5.1
494.19995	0.8
497.19852	5.0
500.24609	10.8
504.71973	1.2
535.12677	0.6
556.27112	20.6
616.29108	16.4
616.39716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
57.07080	43.7
59.05005	17.9
67.05518	1.2
69.07057	2.8
71.08636	84.1
71.21140	1.1
72.00037	0.5
73.06562	3.0
73.08176	0.4
79.05495	0.9
81.07066	1.1
83.08627	1.1
85.10188	48.0
85.42918	0.5
87.04473	11.5
89.06037	100.0
91.05489	1.0
91.07574	0.9
93.07062	1.3
95.04993	0.9
95.08598	0.6
97.10150	1.2
103.07604	7.0
105.07028	0.9
107.04947	0.6
107.07070	1.9
107.08556	0.9
117.09119	2.7
121.06522	3.1
121.10138	0.6
127.14830	6.7
130.08638	2.5
131.07045	5.1
131.08566	0.5
131.10719	0.6
133.08614	76.6
141.16385	1.0
151.03891	3.6
161.11769	0.9
175.09669	4.8
177.11238	33.3
179.12703	0.5
185.19044	8.0
195.12305	0.7
211.45358	0.5
219.12219	2.1
221.13838	8.0
223.15361	0.8
229.21658	6.4
239.14804	1.3
265.16586	2.8
283.17480	2.7
309.19006	1.9
327.19998	1.8
341.11169	0.5
353.21616	1.4
371.22894	3.1
397.24176	2.0
415.20108	0.9
415.25394	15.0
455.28571	4.5
459.27646	1.5
461.37222	0.6
570.37280	2.1
598.37091	1.4
599.43634	4.6
616.46643	6.6
617.36053	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	615.443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20214	0.9
55.05501	3.1
57.03436	3.6
57.07081	100.0
58.04220	8.2
59.05008	34.0
65.03404	1.0
67.05506	3.4
69.07062	3.8
69.67250	5.2
71.05000	1.4
71.08636	72.5
72.05787	5.9
72.09007	0.9
73.02923	3.9
73.05297	1.0
73.06561	9.3
75.04489	1.1
81.07063	2.0
82.07848	1.8
83.08631	4.9
85.06561	1.7
85.10189	63.4
86.07327	3.3
87.04474	10.2
87.08112	2.6
88.05254	1.4
89.06043	12.1
90.01923	29.1
91.05493	1.4
95.08611	3.0
97.10172	3.3
99.08112	1.2
99.11742	13.1
100.08871	2.6
101.06037	2.7
101.09654	2.7
103.07577	6.6
111.11714	1.5
113.13275	4.9
115.07615	2.5
116.08384	2.3
117.09140	13.2
129.09169	1.3
131.07071	2.2
131.10658	1.1
133.08604	6.4
141.13072	0.9
141.16417	0.9
145.10179	0.9
147.10188	2.3
152.15628	2.1
153.55775	0.9
155.17999	8.5
159.10167	1.1
161.11775	1.6
165.11237	1.4
177.11206	2.8
178.07100	4.2
179.12775	1.8
183.17462	3.7
193.14355	1.0
205.14542	0.9
208.15460	2.2
208.76726	0.9
212.21410	2.9
213.22144	15.7
222.09729	7.8
222.17056	1.8
223.15408	2.1
230.56631	0.9
238.16473	1.1
241.21669	2.3
252.18236	2.0
253.16592	1.1
255.17094	1.0
266.12531	1.2
268.17697	2.7
270.25644	2.6
271.26328	5.6
281.19476	1.6
287.25833	1.2
299.19537	1.0
310.22333	2.5
328.16080	5.5
376.34155	2.9
386.20029	2.4
392.34259	1.1
464.39282	11.3
524.41718	1.8
539.24127	3.9
615.43695	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	614.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05193	1.2
55.05509	3.2
57.07078	98.5
59.05008	18.8
65.12286	1.5
67.05477	1.7
67.69604	1.4
69.07060	5.8
71.08634	100.0
71.57154	2.0
73.02921	92.7
73.06555	4.1
79.05471	1.4
81.07065	1.4
83.08626	2.9
85.10186	85.0
87.04479	8.9
87.08101	3.1
89.06037	75.0
97.10164	3.2
99.11741	11.2
103.03944	10.9
103.07570	9.5
107.07044	2.4
108.29709	1.3
111.11743	2.0
113.13305	2.7
117.05524	2.5
117.09159	3.8
127.14837	3.1
130.08641	2.4
131.07048	3.5
133.08606	59.0
141.16382	8.5
147.06487	2.4
155.17934	3.0
157.10162	1.6
161.08047	4.5
170.95168	1.5
175.09789	2.8
177.11238	23.2
191.09105	2.8
199.20570	8.8
199.96426	1.4
205.10774	16.6
207.12239	1.7
213.22116	2.5
221.13777	6.3
229.21690	2.9
239.14996	3.2
243.23212	5.0
249.13321	3.7
257.24655	2.3
265.16605	1.5
271.26349	3.7
283.17511	3.7
287.25879	1.7
315.28973	1.8
327.20023	3.0
371.22733	12.5
385.20401	2.5
399.22345	5.1
415.25339	4.5
597.45074	5.7
614.44482	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63649	0.2
57.07072	0.7
59.04987	0.3
59.26953	0.3
64.98582	0.3
67.05489	0.4
71.08620	0.7
85.10205	0.4
89.06031	1.3
119.08526	0.4
133.08594	0.9
138.16142	0.3
141.09164	0.3
141.76285	0.3
163.29999	0.3
229.57233	0.5
319.91513	0.3
495.17877	0.8
509.19620	0.4
510.20306	8.6
524.21863	3.9
539.24200	100.0
540.24261	1.5
583.22705	0.5
615.26062	2.8
615.35608	0.4
615.38855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
57.03424	1.9
57.07080	58.6
58.04220	5.1
59.03765	1.1
59.05007	34.9
60.83960	0.8
67.05493	1.3
69.07057	2.6
69.43020	5.6
71.08638	54.6
72.05761	4.1
73.02914	2.9
73.05315	0.9
73.06546	4.3
73.15414	1.0
75.04460	1.3
83.08610	3.8
85.10191	53.8
87.04487	7.7
87.08103	2.4
88.05241	1.3
89.06037	9.4
90.01398	1.7
90.01924	21.1
95.08592	2.3
97.10159	1.2
99.11730	5.9
100.08871	1.7
101.05993	1.3
101.09651	2.9
103.07573	3.1
107.08584	1.1
112.40321	1.0
115.07579	1.6
116.08344	1.3
117.09138	10.9
119.74620	1.0
133.08620	3.6
141.16420	4.9
145.08659	1.2
147.10179	1.6
161.11734	1.1
163.11237	1.2
169.15855	3.0
177.11267	1.3
178.07103	3.6
198.19830	2.2
199.20587	11.3
208.15355	1.7
222.09737	4.4
230.82343	0.9
240.23257	2.4
257.24753	13.3
266.12378	2.9
269.18054	1.0
284.13336	2.2
294.22681	1.1
324.23737	1.7
328.16397	1.2
340.23276	1.2
342.17688	1.1
352.26727	1.2
376.34601	1.1
400.22260	1.3
464.39465	6.7
510.20432	7.1
524.21631	3.2
524.41217	1.3
539.24213	100.0
540.24506	6.7
583.22845	1.8
615.26074	6.2
615.43433	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	614.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51439	0.2
53.03939	0.3
55.01861	0.3
55.05500	0.8
55.59853	0.2
57.03426	0.4
57.07070	0.4
65.03943	2.4
67.05491	0.8
69.03432	0.4
69.07066	1.2
69.87268	0.5
69.87658	0.4
79.05493	0.8
81.03425	0.3
81.07066	1.7
83.08624	1.0
85.02898	0.5
89.06052	0.3
91.01819	0.2
91.05483	32.4
93.07077	0.4
95.08620	0.7
97.02899	0.2
98.97578	0.4
103.05411	0.3
105.07042	0.6
107.04952	0.3
107.07314	0.7
109.02837	0.2
109.06516	1.5
109.10117	0.2
117.05772	0.2
118.06540	2.7
119.04948	14.3
119.08671	0.3
120.08117	0.7
121.06506	0.3
123.04488	0.3
123.11670	0.2
127.03918	0.3
130.06538	1.3
131.04840	0.2
131.07327	0.9
131.08589	0.2
132.08087	2.0
137.05978	35.4
144.08107	1.1
145.10144	0.3
146.09651	2.2
147.04333	0.3
152.94925	0.2
156.08060	0.3
157.15953	0.3
158.09714	0.6
160.11243	0.4
164.07033	0.5
170.09674	0.3
171.10419	0.3
172.11201	0.4
181.04980	0.4
202.08714	0.4
202.15906	0.5
226.16029	0.2
228.17540	0.7
230.15384	0.3
242.18930	0.3
244.20767	0.2
256.17020	1.0
275.20087	0.4
275.89679	0.2
281.04416	0.2
302.17636	0.3
312.23395	0.2
312.26819	0.5
321.26456	0.8
322.10773	0.3
324.26852	2.2
339.79321	0.2
340.26346	5.0
358.27475	0.9
361.06100	0.4
367.11798	0.9
368.25851	15.4
386.26901	20.5
404.27972	4.0
442.29581	1.4
460.30634	7.6
478.31635	10.2
516.58014	0.2
528.11499	0.3
529.10870	0.3
540.33380	1.8
614.36932	100.0
615.37396	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57186	0.2
55.05503	0.7
56.96561	0.2
58.96096	0.2
64.44305	0.2
65.03950	1.8
67.05495	0.4
69.03477	0.2
69.07058	0.7
71.56565	0.3
77.93397	0.2
78.38411	0.2
79.05494	0.7
79.12713	0.2
79.68623	0.2
81.03455	0.2
81.07045	1.3
83.08624	0.4
85.02907	0.2
91.05487	31.7
93.07069	0.4
95.08598	0.2
97.02908	0.2
97.06548	0.2
105.07028	0.3
106.06583	0.3
107.04986	0.4
107.07339	0.7
107.08569	0.2
109.02893	0.2
109.06524	1.4
109.10172	0.2
116.90115	0.2
117.07023	0.2
118.06533	2.2
119.04953	16.0
119.08566	0.2
120.08105	0.5
121.06606	0.2
121.10225	0.2
127.03984	0.2
130.06519	1.2
131.07300	0.7
132.08087	2.0
133.08884	0.5
134.09656	0.2
137.05988	37.9
138.06270	0.2
144.08073	1.1
145.08879	0.3
145.10034	0.2
146.09665	2.2
151.07646	0.2
154.08664	0.2
157.08856	0.2
158.09680	0.4
160.11243	0.5
161.05981	0.2
164.07101	0.3
172.11142	0.3
174.12775	0.3
179.34288	0.2
186.12935	0.2
200.14357	0.3
202.15979	0.6
216.17603	0.3
228.17487	0.8
230.15613	0.2
230.19107	0.2
232.17012	0.2
244.17101	0.2
256.16928	1.2
258.18582	0.2
272.20471	0.2
274.17825	0.2
282.14999	0.2
312.26840	0.5
320.18875	0.2
324.26926	2.5
340.26361	4.3
340.30399	0.3
348.12903	0.2
358.27530	0.8
367.11737	1.2
368.19095	0.3
368.25873	16.1
386.26907	23.9
387.27350	0.2
404.27985	7.1
442.29550	1.1
460.30624	9.6
478.31677	7.7
478.38593	0.4
523.29340	0.2
540.25708	0.3
540.33386	4.1
596.35522	0.3
614.36920	100.0
615.37445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01347	0.5
52.54618	0.4
55.05523	0.6
56.72395	0.4
57.07082	6.1
58.06596	1.7
65.03940	0.5
68.05018	0.5
70.06594	15.9
70.83987	0.5
70.84335	1.2
71.08644	2.4
72.08154	0.6
73.52695	0.4
81.07059	0.8
83.08646	0.5
85.10186	0.5
87.10056	0.4
87.81820	0.4
88.07635	20.3
95.08601	0.6
102.09182	15.6
107.08608	0.6
131.04939	0.5
149.02351	40.0
149.03276	1.7
151.03934	0.5
155.14355	0.5
159.69777	0.4
175.03870	0.6
176.68108	0.5
184.07324	0.6
193.04971	48.7
212.18132	0.4
212.23817	0.8
219.06544	1.2
225.05490	0.8
256.26370	38.1
269.04535	1.5
297.03873	2.2
313.07108	3.4
341.06567	10.4
355.48434	0.5
359.07635	6.5
385.09186	46.4
554.24536	0.5
582.24768	0.6
614.33282	100.0
615.33472	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76692	0.2
53.03941	0.3
55.05479	0.3
56.96553	1.5
57.37866	0.2
67.05462	0.3
76.94922	0.2
79.05470	0.3
81.07037	0.5
83.08572	0.3
84.96001	0.3
85.59615	0.2
91.05482	0.3
93.07009	0.4
98.97585	3.5
99.97887	0.3
100.11234	0.3
105.03365	0.5
105.07023	0.4
106.03134	0.2
107.04952	0.5
110.97475	0.4
112.99152	1.4
115.05458	2.0
116.98635	1.2
119.08566	0.4
128.06207	0.3
128.98595	0.3
131.00172	1.8
132.00386	0.3
134.99612	0.5
135.04396	0.6
135.08020	0.3
136.05186	0.5
137.05925	1.1
140.00163	0.3
143.00121	0.2
143.04922	4.8
149.01210	0.8
149.05923	0.7
151.03911	2.0
151.07545	5.7
158.99666	1.4
160.05144	0.7
161.01189	0.4
163.03954	0.2
163.06305	1.4
163.07442	0.3
175.07576	2.3
177.00729	1.5
178.01157	0.3
178.08647	8.9
185.52513	0.3
186.06712	0.4
189.09154	0.3
191.02264	0.3
193.04974	0.3
198.06773	1.9
199.02615	0.3
199.16924	0.3
201.09094	0.3
209.06015	0.3
214.06253	6.9
215.07097	0.2
219.01756	0.3
222.10078	0.2
225.05411	2.2
226.06253	0.9
227.07097	0.3
229.05188	0.3
229.08530	1.6
237.02855	0.5
241.08615	4.0
242.05753	7.0
243.06590	0.3
253.04936	1.0
254.05687	0.3
257.08093	7.4
267.10049	0.3
270.05197	2.2
271.06006	0.3
275.04352	0.5
281.11874	0.3
285.07581	100.0
286.08118	1.0
293.05469	1.6
294.05859	1.2
300.28909	0.4
301.14331	0.3
311.06604	0.3
312.12280	0.9
313.14328	0.7
314.10086	0.3
316.06866	0.4
317.17853	2.2
318.18250	2.4
328.15338	0.7
330.16989	4.3
335.18985	0.6
336.19330	0.7
341.10245	0.5
425.97794	0.2
553.26978	0.3
554.27094	3.5
614.23853	8.6
614.36829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03943	2.8
55.01862	0.8
55.05514	15.2
57.03442	5.0
57.07069	3.3
59.63915	0.7
62.88272	0.7
65.03942	2.6
67.05507	48.0
69.07071	16.8
69.35020	7.1
71.04991	1.8
71.08614	1.7
73.06562	0.8
79.05064	1.6
79.05496	25.2
79.59047	0.8
81.07063	49.8
83.04980	1.2
83.08617	8.0
85.06544	1.3
91.05486	19.4
93.07044	34.5
95.04986	2.4
95.08611	44.3
97.06517	3.4
97.10180	6.8
99.08090	1.8
105.07031	23.1
107.08603	21.7
109.06529	1.8
109.10158	21.6
111.08133	2.0
115.05499	1.4
117.07021	7.1
119.08583	20.3
120.66911	0.8
121.10146	16.2
123.11719	8.5
129.07019	4.1
131.08572	15.0
133.10132	16.4
135.11691	10.8
137.09621	1.1
137.13269	2.1
139.11124	0.8
141.07043	1.3
142.07773	1.0
143.08543	6.0
143.94220	0.7
145.10130	17.0
147.11681	12.6
147.12782	1.2
149.13260	7.9
151.11179	0.8
151.14845	1.1
155.08589	1.2
157.10138	6.1
159.11702	13.5
161.13245	8.4
163.14787	4.1
165.16510	0.9
169.10156	1.9
171.11684	5.3
173.13260	9.5
175.14798	4.5
177.16371	1.3
183.11688	1.4
185.13226	4.9
187.14877	5.8
189.12848	1.0
189.16420	3.1
191.18060	1.1
197.13297	1.5
199.14857	3.3
201.16418	2.9
211.14908	1.7
213.16434	2.5
215.17891	1.7
217.19589	0.9
225.16591	1.3
227.18153	1.0
229.19511	0.9
231.21083	1.4
233.19208	0.8
239.18170	1.3
241.19536	2.7
243.21126	1.2
259.20554	7.5
261.22266	8.2
263.23764	1.7
271.20853	1.2
273.22073	1.2
277.21729	2.1
279.23389	1.0
287.23883	1.7
299.23856	1.8
317.24945	1.3
323.26031	1.3
333.24341	6.1
335.25833	12.9
337.27399	5.7
383.33319	1.0
489.35617	1.9
503.37109	1.7
517.38885	1.4
521.43530	4.6
539.44299	2.2
543.40387	1.9
595.47357	10.3
613.48285	100.0
614.49078	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03931	1.3
55.01871	0.9
55.05265	1.3
55.05514	15.9
57.03436	4.6
57.07065	3.1
65.03933	2.5
67.05507	42.1
69.06725	1.0
69.07074	14.8
71.04981	1.5
71.08641	1.0
77.03906	0.7
79.05497	23.9
79.77124	0.5
81.07061	46.9
81.62791	0.6
83.04994	1.4
83.08623	7.3
84.12491	0.6
85.06544	1.6
85.35087	0.7
91.05485	16.6
93.07047	31.2
95.04980	1.7
95.08612	42.1
97.06539	1.7
97.10167	4.9
99.08070	0.9
101.25845	0.7
105.04537	0.7
105.07034	21.6
105.17724	0.6
107.08601	19.3
109.06532	0.7
109.10164	21.4
111.08131	1.2
117.07026	8.1
119.08585	18.1
121.10149	16.4
123.08090	0.8
123.11710	8.6
125.09633	0.8
128.06178	0.7
129.07016	2.7
130.07813	0.6
131.08580	14.4
133.10150	15.9
135.07967	0.6
135.11700	10.6
137.09589	1.1
137.13284	2.5
141.06927	0.9
143.08611	4.4
145.10126	14.0
147.11703	12.5
149.09758	0.7
149.13248	6.8
151.11182	0.7
151.14850	0.7
157.10149	5.3
159.11688	11.6
161.13266	8.6
163.14830	4.0
169.10185	2.2
171.11679	5.0
173.13281	8.9
175.13565	0.8
175.14844	4.7
177.12709	0.7
177.16429	1.4
179.14288	0.6
179.18073	0.7
183.11694	2.3
185.13297	4.4
187.14772	4.7
189.16423	2.8
191.17960	1.0
197.13249	1.8
199.14844	3.4
201.16333	3.0
203.17897	1.6
211.14853	1.4
213.16443	2.3
215.17934	1.7
217.19540	1.5
223.17110	0.7
225.16362	1.0
227.18097	1.1
229.19582	1.1
231.21220	1.5
233.19116	1.0
239.18152	0.8
241.19577	2.5
243.21085	1.5
259.20575	6.7
261.22153	7.1
263.23792	1.6
271.20377	0.8
273.22226	1.3
279.23257	0.8
285.22424	0.8
287.23773	0.9
289.25485	0.8
295.23056	0.8
297.24551	0.8
299.23669	1.0
301.25244	1.3
315.23291	1.2
315.26971	1.4
317.24899	2.1
323.25955	0.9
329.28479	0.7
333.24203	4.2
335.25797	14.9
337.27322	8.0
339.27155	0.9
347.25641	0.7
349.27243	0.7
355.30035	1.1
475.34396	0.9
489.35919	1.4
503.37305	1.8
517.38721	1.3
521.43738	3.7
539.44659	1.8
543.40283	1.7
595.47272	11.0
613.48273	100.0
614.48816	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	613.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16582	0.9
56.26994	1.0
56.96295	1.5
56.96566	29.6
63.73433	0.8
67.05480	2.3
71.55622	1.0
71.95259	3.6
74.97578	1.0
79.05521	0.9
81.07047	3.2
84.96032	5.2
91.05465	1.5
93.07018	1.6
95.08606	1.3
97.96764	1.0
98.97588	79.3
107.08540	1.5
109.06540	1.1
110.97594	5.3
112.99134	35.5
116.98624	32.7
119.08582	1.2
124.99118	3.2
128.98601	6.1
131.00172	43.3
131.08540	1.6
134.99629	6.7
140.00175	4.8
140.98589	2.6
143.00177	9.6
144.98146	1.3
145.10181	1.9
146.99652	2.1
149.01213	24.6
152.00198	1.4
152.98541	0.9
154.01726	5.1
158.01242	1.5
158.99657	38.2
161.01225	6.5
166.01720	1.4
167.02354	1.7
170.99654	3.4
172.02823	2.9
173.01245	7.7
175.02820	2.0
177.00725	32.8
185.01241	5.0
187.02724	1.0
189.00647	4.6
191.02269	6.5
195.01765	2.4
199.02769	9.1
200.02275	6.2
201.00714	1.1
203.02370	5.9
209.01248	2.7
211.12700	0.9
215.02290	3.4
217.03900	4.3
219.01782	8.7
227.02287	3.8
227.09555	1.1
233.03333	2.7
237.02855	6.1
255.03951	1.5
260.04404	1.2
275.04364	19.2
285.07684	5.0
293.02100	1.9
293.05438	47.3
311.06512	7.3
316.07059	9.2
317.17877	100.0
333.17642	1.4
334.08090	2.7
335.15009	1.9
335.18933	24.5
344.88123	1.0
358.20560	14.5
377.19986	8.1
391.21512	3.0
403.21680	2.5
497.24225	5.9
535.25397	1.3
553.26837	79.3
554.27051	1.1
613.31610	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25165	1.2
56.96567	24.1
57.03411	2.4
63.74622	1.2
67.05498	3.4
69.32428	9.7
70.11344	1.3
71.95244	2.4
79.05481	2.9
81.07056	6.6
84.08200	1.5
84.96019	4.6
91.05462	4.4
93.07039	2.1
95.08583	2.6
97.06497	1.9
98.21443	2.5
98.97587	74.5
105.07021	3.7
107.08594	1.9
109.06537	1.4
109.10075	1.9
110.97567	5.4
112.99138	30.0
112.99918	1.6
116.90525	1.5
116.98618	25.7
117.07037	1.6
119.08595	1.9
124.99094	4.0
128.98601	5.7
131.00168	36.8
131.08507	2.2
134.99620	5.4
140.00172	6.5
140.98605	2.6
143.00172	9.0
143.08562	1.3
145.10124	1.6
147.11697	2.5
149.01224	24.7
154.01768	4.9
158.01198	1.9
158.99655	35.0
159.11673	2.5
161.01282	8.4
167.02153	1.7
170.99646	3.2
172.02786	3.7
173.01233	7.1
175.02730	2.6
177.00717	34.3
185.01262	4.1
189.00705	3.6
191.02220	6.8
199.02734	8.8
200.02277	7.3
203.02255	5.4
209.01157	3.8
214.03955	1.5
215.02235	2.8
217.03793	3.3
219.01715	7.9
227.02162	3.8
233.03358	2.7
237.02805	5.7
268.16281	1.4
275.04327	16.7
275.19962	2.1
285.16809	1.4
288.79224	1.6
293.05444	46.2
311.06470	6.0
316.07040	12.0
317.17874	88.9
334.08218	3.5
335.18915	25.2
348.43106	1.3
358.20569	14.7
377.20062	8.6
391.21408	3.0
437.21991	1.7
497.24188	8.5
553.26868	100.0
613.29761	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	612.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81133	0.4
53.00331	0.5
53.03938	0.9
55.01882	0.9
55.02133	0.4
57.03446	2.3
61.02927	3.1
62.08980	0.3
69.03084	0.6
69.03434	9.0
70.82569	0.9
71.04985	0.7
73.02904	1.6
78.07133	0.4
79.56618	0.4
81.03437	3.9
83.05408	0.4
85.02909	15.1
87.04465	1.9
91.03979	0.8
91.05478	2.0
95.04975	0.5
97.02900	7.2
99.04442	1.8
101.02350	0.4
105.03370	0.6
105.07046	0.8
107.04918	0.5
109.02892	2.6
115.03932	0.5
115.05470	6.1
119.04931	1.0
123.04436	51.0
127.03936	3.4
131.04860	1.0
133.06482	1.2
135.04436	0.7
137.05992	6.8
143.04929	18.7
145.05002	1.1
147.04489	0.5
149.05965	2.3
152.07065	0.7
161.05989	38.7
164.07079	68.5
173.06065	0.4
179.08539	1.0
207.08116	1.9
223.07378	0.4
225.05518	0.4
225.09106	1.9
235.07535	2.1
242.05722	0.7
251.07048	0.5
253.08623	3.2
269.08051	0.7
271.09656	29.7
288.12332	21.3
326.12393	6.7
342.83716	0.4
450.17636	22.7
474.11072	0.5
498.11322	0.5
507.12515	0.4
550.59692	0.5
612.22900	100.0
613.23175	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.244
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03402	0.2
70.68251	0.3
83.67464	0.2
88.63214	0.1
95.03978	0.1
98.20864	0.1
116.70181	0.1
118.06494	0.2
119.04919	0.3
123.04477	0.2
123.26460	0.1
127.21130	0.2
134.06039	0.4
135.06812	0.9
142.43405	0.1
151.07520	0.3
163.06294	15.0
164.07074	0.3
176.07063	0.7
178.08641	100.0
179.08965	0.4
312.12308	0.4
326.13834	1.0
450.19177	1.8
612.24414	25.0
613.24768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.6
57.03436	6.0
57.07079	100.0
59.05002	54.7
67.05499	14.2
68.49879	2.5
69.07056	11.2
71.06334	3.7
71.08636	88.4
73.02921	50.1
73.85256	2.3
77.23244	2.5
79.05474	10.9
81.06644	2.3
81.07062	14.3
83.08626	6.0
85.10187	66.0
86.78539	2.3
87.04475	10.1
87.08079	3.3
89.06005	15.1
91.05492	8.4
93.07043	9.8
95.08605	13.0
97.10151	6.2
99.11736	10.2
101.09660	6.3
103.07568	8.3
105.07008	6.1
107.08582	8.4
109.10114	3.0
113.13293	2.7
117.07024	5.7
117.09144	15.3
117.60240	3.0
119.08588	6.8
121.10067	3.1
123.11759	2.7
129.50198	2.5
131.08557	6.5
133.08612	6.5
133.10121	5.1
143.08557	5.7
145.10161	6.1
146.10440	2.8
147.10159	2.8
147.11700	5.1
150.17700	2.2
153.65149	2.5
155.08551	4.2
155.17963	9.0
157.10104	3.5
159.11667	3.5
166.84531	2.3
169.10022	2.9
171.11722	5.2
181.10181	2.7
183.11722	3.1
185.19104	3.4
197.13292	4.2
199.20508	4.8
213.22182	9.5
239.15024	5.2
243.23257	7.1
249.13362	2.9
257.24731	17.9
271.26328	11.5
315.28885	8.4
387.20734	2.6
501.39392	2.6
520.42053	3.2
594.45892	5.8
612.31915	4.5
612.47076	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	613.247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.4
67.86655	0.3
69.03424	0.5
69.36522	1.0
69.36949	1.1
70.06575	0.9
71.04931	0.3
77.82831	0.3
81.03398	0.6
85.02898	1.1
89.73838	0.2
89.82782	0.2
91.05470	0.7
97.02892	0.5
97.13258	0.3
107.04954	1.0
111.81127	0.3
119.04918	0.8
123.04443	1.2
127.03901	0.7
127.31134	0.3
133.06488	0.4
134.06007	0.3
135.04379	0.5
135.06763	0.9
137.02382	1.7
137.05969	0.4
138.02692	0.7
147.04378	0.5
151.03893	1.2
151.07498	0.4
153.01831	0.4
156.51186	0.3
163.06297	16.2
164.06645	5.8
176.07173	0.4
178.08636	100.0
179.08980	44.0
189.01871	0.4
194.09662	0.5
195.02881	0.4
203.03433	0.7
204.03802	0.3
204.08141	0.8
206.08330	0.8
207.02936	0.4
207.09184	6.9
208.09521	2.2
209.09819	0.4
219.09274	0.4
221.10744	5.1
222.11089	1.8
223.12186	1.0
239.11755	2.1
240.12132	0.8
243.10229	0.6
249.10214	0.7
253.08899	0.3
267.11359	3.8
268.11664	1.3
269.11917	0.7
271.06073	1.0
271.09390	0.4
284.09799	0.3
284.12704	0.4
287.05426	0.5
289.07104	2.2
289.10394	0.5
295.06146	0.4
295.31076	0.3
297.07043	0.5
298.07916	0.4
299.05493	1.0
300.05920	0.8
301.06201	0.6
310.04645	0.6
311.05453	3.1
311.11566	0.3
312.05768	2.5
312.12119	0.6
313.06134	3.1
313.12650	0.6
314.07056	0.5
323.05450	1.7
324.05893	1.7
325.06308	2.9
326.07156	1.0
327.07510	0.7
327.14270	0.8
329.06198	0.5
331.07086	0.9
337.06882	1.5
338.07520	0.8
339.07898	1.7
340.08817	0.4
341.06430	2.2
342.06934	2.0
342.10666	0.3
343.07083	3.4
349.07016	0.5
351.08176	0.8
352.09085	0.4
353.06451	1.1
354.06693	1.7
355.07236	2.2
363.08548	0.5
364.09097	0.3
365.06094	0.7
366.07166	0.8
367.07233	2.8
368.08328	0.5
369.08810	1.0
371.07822	0.4
373.08154	0.6
379.07480	1.0
381.09146	0.6
383.10483	0.6
385.08286	0.4
390.06909	0.3
391.07605	0.6
393.09222	0.6
393.14493	2.1
394.14929	0.7
395.07550	1.6
395.15216	1.0
396.08035	0.9
397.08133	2.6
407.07074	0.5
408.07730	0.5
409.08444	1.3
411.15518	0.9
412.15778	0.3
413.16113	0.6
419.07919	0.4
421.08350	1.4
425.08762	0.7
426.08908	0.8
427.09207	2.3
427.44650	0.3
438.09192	0.3
439.09293	1.7
443.09915	0.8
444.10034	0.8
445.10300	2.1
450.18790	0.5
451.09372	0.5
451.19296	1.8
457.10452	1.5
463.10861	0.8
473.10526	0.5
474.10959	1.4
475.11398	5.6
481.10663	0.5
493.12567	1.7
497.10913	0.6
498.11237	0.3
499.11441	2.1
503.08569	0.3
517.12628	2.0
529.12384	2.1
541.12427	2.4
547.13416	1.1
559.13409	3.2
577.14648	2.9
581.20123	1.8
595.15710	2.2
613.24738	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01875	1.8
55.05516	18.0
57.03438	6.4
57.07087	3.9
65.03938	3.1
67.05508	44.2
69.06726	0.9
69.07072	14.2
70.80568	1.3
70.80879	1.0
71.04986	2.2
71.08635	0.7
78.03478	0.6
79.05499	34.4
79.05967	1.6
81.07062	47.0
83.04993	1.3
83.08615	8.3
85.06567	1.2
90.98875	0.7
91.05486	29.7
93.07048	37.1
95.04971	3.0
95.08616	34.1
95.09243	1.1
97.06532	3.0
97.10168	3.1
97.49467	0.6
99.08138	1.0
103.05480	0.7
105.04536	1.7
105.07040	33.2
107.07862	1.4
107.08600	19.9
109.06484	0.8
109.10167	13.9
109.60619	0.7
111.08108	1.0
111.11697	0.8
115.05476	0.9
116.06264	0.8
117.07030	12.4
119.08587	27.2
121.10156	16.5
123.08051	1.8
123.11733	3.8
128.06190	1.4
129.07013	9.2
131.08585	24.1
133.10143	21.7
135.08028	0.9
135.11703	11.8
137.13272	1.7
139.11176	0.9
141.07002	3.4
142.07776	1.1
143.08562	13.9
144.09337	1.2
145.10129	22.6
147.11697	17.8
149.09642	1.0
149.13274	6.5
151.11165	0.8
155.07451	1.1
155.08537	5.5
156.09402	1.2
157.10132	11.7
159.11710	16.5
161.13277	12.9
163.14854	3.1
167.08641	1.5
169.10138	6.9
171.11691	12.4
173.13269	12.8
175.14833	5.1
177.12787	1.0
177.16393	1.2
179.08551	0.9
181.10135	1.2
183.11681	6.2
185.13277	9.1
187.14857	6.1
189.16446	1.7
191.18042	0.9
193.10226	1.4
195.11745	3.0
197.13290	4.9
199.14856	6.8
201.16400	3.4
203.14352	1.0
209.13307	2.5
211.14790	3.8
213.16418	5.3
215.17979	2.3
217.19566	1.1
221.13217	1.1
223.14883	1.4
225.16458	2.0
227.18074	1.6
229.19630	1.4
231.17657	0.7
231.21156	2.1
237.16389	0.8
239.17986	2.9
241.19633	8.5
243.21201	1.2
245.19023	0.9
257.18973	3.5
259.20590	18.2
261.22125	4.0
273.22250	0.9
285.22202	0.8
297.22260	1.3
309.83560	0.7
311.23746	1.8
313.25262	1.0
315.23074	0.9
325.25104	1.1
329.13623	0.8
331.22684	1.5
333.24234	12.5
333.28098	0.8
335.25867	19.0
337.27408	2.0
339.26697	1.4
353.28598	1.5
397.30792	0.8
407.33322	1.2
519.42114	5.6
527.37250	1.2
537.42816	3.6
541.38733	1.1
555.42603	0.8
593.45569	8.5
611.46747	100.0
612.47021	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77782	1.4
55.05516	3.2
58.99857	2.4
67.05506	4.1
69.07050	1.4
69.08096	1.5
69.44978	1.2
69.83676	6.2
77.00905	8.7
79.05499	6.5
81.07065	4.3
83.08615	2.3
85.02896	2.0
91.03899	1.3
91.05441	7.6
93.07033	5.4
95.01952	7.8
95.08610	4.7
101.16335	1.3
105.07068	2.7
107.08582	3.0
119.08585	2.5
121.10153	4.5
130.51120	1.2
131.01894	9.9
131.08557	2.2
133.10097	3.2
133.15796	1.3
135.11653	2.0
137.05930	1.3
141.25168	1.3
143.05640	1.4
145.10100	2.1
147.04459	1.6
149.02975	4.1
159.11703	2.0
185.06639	1.5
198.98267	1.3
201.09723	2.6
213.09669	1.8
215.11275	5.7
218.93219	1.3
219.08614	2.1
229.12866	2.8
231.12311	1.4
243.14320	1.6
247.11844	3.2
261.13339	3.0
266.11823	4.7
275.14850	3.2
282.14935	3.4
289.16315	1.2
297.17041	4.2
299.18561	85.5
301.20081	3.3
313.16367	2.4
315.18127	22.0
317.19635	100.0
319.21176	2.9
334.17453	2.2
335.20740	21.6
338.19617	4.9
340.21210	27.8
357.19098	1.6
358.22263	2.3
366.69000	1.4
369.22427	1.7
401.20996	1.4
409.25720	1.7
482.41412	1.8
575.39691	11.6
611.31177	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	611.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.2
54.52062	0.7
55.05515	1.6
57.03432	1.5
57.07080	1.3
57.75581	0.6
61.02932	1.0
64.99465	0.6
67.05508	2.8
68.99800	0.9
69.03431	4.3
69.07075	3.0
70.06578	1.0
71.04974	0.7
71.98396	0.6
73.02936	1.4
79.05505	2.3
81.03424	3.3
81.07069	11.1
83.08650	1.6
85.02919	9.0
85.06544	3.2
87.00828	4.9
91.05486	3.3
93.07041	4.3
95.08613	10.1
97.02908	3.5
97.06503	0.8
97.10197	1.1
98.20720	1.7
99.04469	2.0
99.08128	2.8
105.01884	5.3
105.07072	2.6
107.08598	4.7
109.02885	4.2
109.10170	6.3
111.11755	0.9
113.09720	0.8
119.04963	0.8
119.08587	1.8
121.10181	2.6
123.11754	4.1
124.96915	0.7
125.09641	0.8
127.03928	7.1
129.01837	1.1
133.10100	0.7
135.11742	3.1
137.06026	1.2
137.13301	2.1
145.05005	2.8
147.11723	1.2
149.05966	2.0
149.13263	4.6
153.12802	0.9
159.02974	1.6
163.14864	3.4
165.09187	2.4
173.03282	0.7
176.07083	1.5
177.16411	1.1
179.08656	1.3
190.08696	1.4
191.08603	1.5
191.17972	1.0
202.08717	3.5
203.18034	1.2
206.09758	1.0
207.08153	1.1
208.11232	4.1
210.09180	0.9
213.07877	0.8
214.08688	1.9
217.19545	0.8
218.07355	1.4
219.08037	1.1
221.09726	1.2
224.07011	0.9
224.10764	1.4
226.08647	3.2
227.09616	1.1
231.05139	2.0
234.10603	3.5
235.07565	2.9
235.20644	1.1
236.10730	7.9
237.07889	1.1
237.11415	0.7
238.08629	1.6
238.12212	4.3
240.10291	1.4
242.11864	2.8
249.09021	0.8
250.09937	6.4
250.12361	5.0
251.09326	1.5
251.13042	7.4
252.10233	5.3
253.11034	2.1
254.11557	0.7
264.10205	9.7
265.12280	3.1
266.11786	55.2
267.12482	5.5
268.13422	0.9
273.25851	3.1
274.61319	0.7
278.11795	0.9
280.13507	1.5
282.11539	2.3
282.14893	47.0
283.15491	1.0
291.26849	9.4
292.13519	1.1
298.14496	1.7
308.16489	0.8
309.27960	5.1
314.17551	7.0
393.17245	0.7
495.22845	2.2
497.11377	0.8
547.26538	1.1
579.28510	8.6
595.27881	1.8
611.31250	100.0
612.31256	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.3
54.52720	3.5
55.01862	8.6
55.05518	19.2
57.03435	8.5
57.07072	11.1
59.04984	3.9
61.02921	9.4
67.05508	33.9
69.03432	21.9
69.07067	32.4
70.06574	8.8
71.04970	6.9
71.57014	4.1
73.02930	4.7
74.62775	3.0
79.05502	20.4
81.03416	20.6
81.07062	100.0
83.08611	14.6
84.04498	4.9
85.02494	4.2
85.02913	42.8
85.06546	36.5
86.09728	6.6
87.00847	18.3
91.05480	16.9
93.07047	30.8
95.04987	3.5
95.08618	84.4
97.02899	22.5
97.10184	10.5
98.97559	3.6
99.04439	10.1
99.08099	7.2
103.05448	3.9
105.01861	14.8
105.07019	16.3
107.04949	6.2
107.08610	28.8
109.02884	18.2
109.10168	53.6
111.08073	7.3
111.11716	7.6
117.05477	8.6
119.04916	9.4
119.08593	13.4
121.06509	5.8
121.10155	25.0
123.04432	5.2
123.11720	40.7
125.09601	7.7
125.13152	3.5
127.03911	29.7
131.04945	4.1
131.08601	7.9
133.02814	3.8
133.10126	11.4
135.04434	4.4
135.11694	16.6
136.07576	14.3
137.05966	16.0
137.13222	20.2
139.11188	3.4
143.08559	3.7
145.02815	4.0
145.04958	9.3
147.04414	7.3
147.11630	7.8
149.05933	3.6
149.13235	28.7
151.03926	3.4
151.14839	12.0
153.12727	5.2
159.02902	4.8
159.11673	4.9
161.05917	5.6
161.13316	8.2
162.09103	3.5
163.03934	9.9
163.14868	18.2
164.07059	13.5
167.07076	16.2
177.05501	8.1
177.16446	8.4
189.09236	3.5
190.09453	4.3
191.17859	4.7
207.06546	6.6
217.19569	4.8
219.08136	6.2
219.10147	21.8
220.10486	11.1
221.10741	7.8
224.16405	3.1
226.08543	3.5
231.04868	4.3
250.08879	3.8
255.06584	7.4
261.25784	3.8
264.10193	4.4
266.11722	30.2
273.25705	10.0
279.26822	8.9
282.11954	3.0
282.14777	21.0
285.12070	3.3
287.05502	13.1
291.10812	3.2
291.26862	42.2
297.27902	10.5
309.27887	35.5
311.05649	5.2
327.28903	21.0
341.10312	4.6
399.28973	4.3
418.23920	3.4
440.24963	4.9
473.10608	4.7
499.26602	9.9
503.29593	4.4
521.29254	3.5
530.79150	4.3
561.46735	3.5
575.14063	3.5
579.28577	4.0
580.29095	7.3
602.30420	4.8
611.31531	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	611.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
55.01886	2.8
55.05508	7.9
57.03444	3.4
57.07067	3.6
59.05011	2.5
61.02928	2.6
67.05509	10.2
69.03122	2.9
69.03436	28.0
69.07080	14.7
70.73311	2.5
70.73661	6.1
71.04990	4.6
73.02890	3.6
79.05498	6.9
81.03435	17.7
81.07062	100.0
83.04993	2.6
83.08619	7.2
85.02419	4.4
85.02911	55.3
85.06560	10.9
87.00835	22.7
91.03958	3.4
91.05497	5.7
93.07044	23.9
94.39736	2.1
95.04944	2.5
95.08607	39.2
97.02892	24.4
97.06539	5.0
97.10208	2.4
99.04462	11.2
99.08083	5.7
105.01875	29.1
105.07034	5.9
107.08611	11.4
109.02883	34.8
109.10162	16.3
111.04443	5.0
111.08089	12.7
111.11737	7.2
112.39590	2.0
115.03944	2.2
119.08608	4.6
121.10162	12.1
123.11694	8.8
127.03934	55.3
129.09094	6.1
133.10120	3.4
135.11699	10.5
137.13268	31.4
139.01524	2.3
145.05022	11.2
145.10201	2.6
147.02870	2.7
147.11670	2.6
149.13261	21.3
153.12738	4.4
155.14345	18.0
157.10117	2.6
159.02867	6.0
159.11684	2.4
161.13287	2.1
163.14871	5.4
165.88539	2.3
173.15393	16.4
182.53450	2.1
187.05978	3.8
213.03996	12.4
231.05029	26.6
249.06105	2.4
257.77231	2.3
291.26840	19.1
309.27942	6.1
327.28894	4.6
345.30042	4.5
367.17584	3.8
385.18570	22.9
403.19690	26.4
406.52969	2.4
498.46423	2.4
521.30670	2.7
593.29187	4.9
611.30640	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	611.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39015	3.0
53.03945	7.4
55.01877	6.1
55.05512	13.3
57.03442	6.7
57.07080	8.4
61.02928	7.0
64.96069	3.0
67.05521	20.0
68.99776	3.5
69.03420	26.7
69.07070	29.4
69.67865	19.9
70.06590	4.4
71.05000	6.4
72.55764	3.1
73.02933	6.5
75.23927	3.1
79.05514	15.0
81.03416	13.9
81.07063	89.4
83.08630	12.7
85.02914	55.3
85.06546	31.8
86.93130	3.0
87.00845	21.1
91.05481	11.8
93.07058	37.2
95.08609	70.6
97.02927	20.5
97.06514	4.0
97.10159	6.9
98.20725	3.4
99.04453	6.3
99.08101	26.6
102.63540	3.0
103.05466	5.7
105.01912	18.4
105.07048	10.9
107.08595	34.7
109.02879	19.5
109.10159	51.6
111.08087	10.5
111.11733	4.1
113.09627	5.7
119.04974	7.9
119.08607	12.8
121.10152	28.8
123.11739	23.3
125.09622	5.0
127.03925	30.7
127.11191	3.8
133.10149	9.8
135.04347	3.6
135.11722	17.1
137.06012	7.2
137.13280	16.2
139.11192	6.6
145.02859	3.3
145.05005	9.4
145.10065	4.2
147.04425	12.5
147.11728	9.7
149.13274	31.1
151.07520	4.1
151.14828	3.7
159.02945	9.9
161.13260	4.6
163.14854	13.0
165.16418	4.2
165.67998	3.1
167.07079	6.6
175.03947	6.3
177.05441	5.6
177.16400	17.3
188.11049	3.0
191.17918	3.6
195.17422	18.4
207.06482	15.2
208.11108	4.0
209.64555	3.3
213.18489	64.1
215.07162	5.4
217.19534	6.8
231.05014	7.2
235.20543	3.8
237.08012	3.5
259.82968	3.3
264.10135	7.1
266.11777	27.5
271.06198	3.4
273.25717	8.8
279.26950	6.4
282.11453	3.1
282.14899	11.9
283.06073	3.4
291.26837	36.2
297.27917	12.6
309.27936	48.7
311.05206	3.9
327.28937	41.2
341.06607	6.4
399.28717	5.3
472.71375	3.9
503.29523	3.4
611.27942	20.6
611.37207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01877	1.9
55.05514	5.4
57.07068	1.7
60.05611	1.6
65.03950	2.7
67.05505	12.9
69.03423	6.1
69.07067	18.1
69.68896	5.2
69.69302	4.1
70.06599	3.9
79.05482	11.1
81.03415	6.5
81.07057	45.3
83.08627	8.1
85.02899	10.7
85.06544	6.8
87.00832	6.0
91.05454	9.3
93.07047	12.8
94.04211	2.6
95.04963	3.6
95.08605	40.3
97.02897	6.6
97.06541	1.9
97.10173	7.3
99.04457	2.7
99.08101	6.7
103.05467	6.9
105.01891	5.2
105.07024	6.6
106.02952	2.0
107.04954	3.7
107.08597	15.3
109.02876	6.1
109.06499	2.0
109.10161	32.8
111.04469	1.7
111.08120	3.9
111.11710	6.0
113.09626	2.4
115.64207	1.7
119.04916	3.4
119.08597	4.6
120.08109	1.8
121.06491	3.7
121.10144	13.6
122.03654	6.5
123.11710	25.1
125.09643	2.2
127.03920	9.3
127.11188	1.8
131.04944	8.8
133.06496	13.5
133.10130	2.5
135.08080	4.8
135.11708	15.7
137.05978	100.0
137.13249	13.2
141.12733	2.8
145.04941	2.6
145.06398	2.1
147.11694	4.0
149.06024	4.0
149.13271	19.2
151.07550	6.7
151.14818	4.0
153.12753	5.3
157.06491	2.0
159.02963	2.1
161.05959	3.7
161.13258	3.2
163.07538	20.9
163.14804	16.3
165.09131	1.7
165.16342	2.0
171.08023	2.3
175.07542	6.1
177.16368	8.0
178.08644	4.9
179.08571	6.1
179.17944	6.1
181.08664	1.9
181.15958	2.4
187.07579	3.4
189.09122	4.4
191.08559	3.1
191.17921	6.5
195.17534	1.9
200.90695	1.7
203.10719	5.5
205.19601	8.1
206.09671	6.8
207.08112	4.3
208.11198	2.0
209.18904	2.7
217.19553	4.6
219.08081	2.5
224.08302	2.8
226.08633	2.0
234.09099	3.0
235.20772	1.7
247.24239	6.7
252.10201	2.5
264.10178	10.0
266.11819	16.0
273.25781	11.2
282.11176	2.4
282.15024	3.1
291.26825	37.4
295.06177	1.9
295.13351	10.6
298.14313	2.3
309.27859	19.4
314.13882	5.4
323.05496	2.4
327.15924	20.4
327.28879	10.8
337.07089	2.2
342.67929	1.8
344.18588	2.6
351.15799	3.3
611.27136	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
59.06390	0.6
61.02908	0.7
67.05490	1.2
69.03437	0.9
69.07055	2.1
70.06594	0.8
71.04987	0.6
71.56802	0.6
79.05495	0.9
81.03422	1.0
81.07053	2.5
83.08625	0.9
84.12431	0.5
85.02910	1.9
91.05463	1.2
93.07040	1.8
95.08604	1.9
95.37707	0.6
97.02875	0.7
98.97592	0.8
105.07043	1.8
107.08622	2.0
109.02874	1.1
109.10164	1.5
119.08601	0.9
121.10200	0.9
123.11711	1.0
127.03942	1.4
133.10139	0.8
133.59273	0.6
135.11681	0.9
137.06039	1.6
147.11658	0.6
149.13272	1.0
157.92690	0.6
163.15012	0.6
167.07063	1.4
176.07019	0.6
178.81841	0.6
203.05273	0.9
243.04677	0.9
245.06396	2.2
255.06601	2.1
264.10120	0.8
264.45798	0.6
266.11765	3.1
271.06113	1.1
277.17838	1.8
282.14981	2.5
287.03656	3.9
289.05316	9.7
311.05475	0.6
345.23932	4.8
347.25439	2.7
363.24954	4.1
365.71875	0.6
507.29437	2.0
525.30273	4.5
549.30792	4.4
567.31427	15.4
575.27765	1.0
593.29285	15.7
611.30414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54228	0.7
55.05517	1.0
61.02895	1.1
69.03450	0.7
71.04981	0.9
71.56629	1.3
79.05486	1.9
81.07034	1.6
83.04983	1.0
85.02890	0.8
91.03970	0.7
91.04962	1.4
91.05484	16.3
91.95582	0.7
93.06998	1.1
95.08609	1.3
97.02921	1.2
97.06588	0.8
105.07036	1.9
105.18350	0.8
111.06711	0.8
118.06501	1.2
119.04955	16.4
119.08542	0.8
121.10093	1.1
124.12143	0.8
130.06519	2.0
134.49844	0.7
135.04463	1.8
137.05952	3.2
149.05991	73.1
165.06992	2.4
166.07849	1.4
167.08595	1.3
173.06010	1.5
174.05533	2.6
175.06349	1.1
176.06990	1.0
178.07799	1.9
179.08607	3.8
180.08041	5.1
184.07408	0.8
188.06982	1.4
189.06944	1.3
190.07767	2.3
191.08592	18.8
193.06499	2.6
193.08871	1.0
194.07422	1.2
195.08086	1.9
198.07019	0.8
200.07047	1.2
202.08621	2.6
204.06606	1.3
205.06512	1.7
206.09619	8.4
207.08276	4.5
208.07442	4.9
208.11247	5.4
209.05998	3.4
209.09663	1.9
212.07053	1.0
214.08627	1.4
218.07294	2.1
219.08069	20.0
221.09746	1.8
223.07680	4.7
223.11195	1.3
224.08444	2.4
226.08653	2.1
234.09023	6.4
236.10634	4.9
237.05611	0.9
237.07573	1.5
237.09401	1.4
238.08635	51.1
239.07016	1.6
245.05052	1.0
249.09216	8.6
250.08614	1.8
251.09280	1.7
252.07811	5.4
252.10124	1.5
253.08575	1.6
262.08722	3.4
264.10196	26.2
266.11786	38.4
267.09958	0.8
277.10678	1.1
280.09869	1.0
281.10919	1.1
282.11243	7.0
282.14853	3.0
296.12833	100.0
297.13116	1.0
298.14395	83.2
301.16153	0.9
311.05594	1.1
314.14063	7.4
403.28384	0.8
406.19766	1.0
547.22296	1.1
579.24615	5.2
593.26538	27.6
611.27460	83.9
612.27802	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	611.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63470	1.5
52.99361	1.6
53.03949	2.8
53.66631	1.2
54.45050	1.3
55.01888	2.1
57.03439	1.7
61.02932	1.4
63.34965	1.3
64.93897	1.3
69.03433	6.1
71.00794	1.8
71.01126	2.6
72.25455	1.3
75.66114	1.2
77.37428	1.3
78.37253	1.2
79.05508	2.1
81.03426	4.0
81.07066	2.0
82.54770	1.7
85.02913	15.3
87.00836	6.9
91.05477	4.7
94.04188	2.5
95.04972	1.5
97.02884	6.4
99.04469	1.9
103.05483	4.9
105.01883	5.5
105.07065	4.1
107.04959	1.6
109.02882	6.4
111.04453	1.5
117.07015	1.6
119.04974	3.3
121.02877	4.6
121.06507	3.6
122.03658	4.5
127.03939	7.3
129.07028	2.3
131.04950	7.2
133.06503	15.3
135.04436	2.1
135.08096	4.8
137.02368	2.6
137.05981	100.0
140.25410	1.4
145.05031	3.5
145.06476	3.2
147.08047	1.5
149.05997	3.1
151.04016	2.1
151.07521	7.5
157.06519	2.3
159.02953	2.8
161.05923	2.8
163.07553	20.6
164.74380	1.3
165.09160	5.2
175.07620	5.2
179.08542	1.6
181.08749	1.8
187.07750	2.3
188.08420	1.6
189.01900	2.6
189.05431	1.5
189.09137	3.0
191.08577	8.2
195.03072	2.6
201.09203	1.5
203.03441	4.0
203.10716	4.3
206.09615	2.1
207.02991	2.2
208.11266	5.0
213.07823	1.5
219.08119	6.2
221.04295	1.4
224.10713	1.7
226.08736	4.1
229.05080	1.5
229.08751	2.1
231.05275	1.6
234.09177	1.5
236.10672	10.5
237.07724	2.9
238.08556	1.7
238.12312	5.3
245.90442	1.6
249.09187	3.4
250.12358	4.3
251.09422	2.7
251.13004	6.7
252.10303	4.1
253.10974	1.6
256.13586	1.3
264.10104	7.2
266.08932	3.3
266.11777	61.5
267.12625	6.1
278.11771	1.6
280.13437	5.9
282.14883	87.1
283.06070	2.9
284.06381	2.0
287.05521	1.9
294.04813	1.7
295.06006	11.9
295.13275	11.7
296.06442	6.0
297.06696	9.8
298.14334	8.7
299.05695	4.2
307.06036	3.7
308.06564	4.3
309.07108	6.9
310.04535	1.9
310.07928	2.5
311.05368	13.5
312.06009	2.8
313.07034	3.8
321.07574	3.1
322.07919	3.0
323.05182	11.2
323.08765	3.1
324.06229	5.2
325.06863	10.4
326.07596	4.5
327.07629	7.2
327.15872	15.9
337.06754	9.8
338.07764	4.0
339.08215	5.5
341.06561	7.5
349.06656	3.2
350.07669	1.9
351.08533	6.2
351.15942	3.6
353.06567	6.1
355.07913	2.5
357.08801	3.0
362.07718	1.7
363.08453	4.1
365.06747	5.0
367.08118	5.1
368.08298	3.2
369.17099	1.7
379.08032	5.3
380.08289	1.6
381.09009	3.8
391.08221	4.7
392.08566	2.6
393.08957	5.5
395.07480	2.5
403.07944	2.0
404.08319	1.4
405.09299	1.9
407.07336	6.7
409.09280	4.2
410.09537	3.9
411.09888	8.3
411.18170	2.1
423.10159	2.7
425.08813	5.1
429.10910	2.8
435.18466	2.1
441.11203	5.1
443.10220	2.5
455.10175	3.9
458.11859	1.8
459.11838	6.2
473.11047	4.4
483.11890	7.9
489.12857	3.1
491.14285	2.2
494.11700	1.7
495.11932	8.0
495.22821	2.8
497.10678	7.5
507.12030	3.0
509.10669	2.3
513.13171	6.5
515.12860	1.6
521.11456	2.4
525.12622	7.2
527.12408	4.2
539.12506	6.0
543.14056	11.4
545.15082	2.3
557.13220	8.6
561.15143	12.0
575.14203	12.3
579.28717	18.3
593.16754	2.3
611.31158	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
57.03430	3.2
61.02920	2.9
62.98203	1.4
68.11805	1.7
69.03435	2.2
70.32568	3.7
81.03423	3.2
85.02911	8.1
91.05459	1.6
93.03409	1.5
97.02882	1.7
103.03941	1.6
107.04997	2.3
121.02879	2.7
131.04970	2.7
135.04431	11.2
137.02351	32.0
143.01894	1.8
145.02782	1.7
160.96439	1.5
161.02377	5.9
163.03922	2.1
165.01874	2.0
177.01872	6.2
184.31836	1.5
187.03972	3.5
189.01886	10.5
189.05460	1.9
190.02588	2.0
191.03423	6.6
195.02921	7.0
201.01932	3.3
201.05527	3.1
203.03412	13.3
205.05008	2.5
207.02888	6.7
211.03893	1.9
213.05487	2.1
215.03400	3.6
217.04994	5.7
219.02855	5.5
219.06558	1.9
227.03496	3.7
229.05063	5.2
231.02873	2.8
241.05049	2.8
243.02950	2.2
243.06598	1.9
253.05092	1.6
255.02905	4.8
257.04486	1.9
261.04129	1.5
268.94684	4.3
269.04553	2.3
283.06033	4.4
284.06790	5.9
285.03922	3.0
287.05521	2.2
295.06097	6.8
296.06842	3.7
297.07574	5.4
299.05453	13.5
307.05872	2.3
309.04224	1.9
309.07605	5.2
310.04752	23.9
311.05524	96.3
312.06091	7.1
313.07153	11.8
323.05539	56.8
324.06308	20.0
325.03513	3.3
325.07043	16.9
329.06558	7.5
335.05594	8.7
335.09088	2.1
336.06250	4.3
337.07068	32.5
338.07843	11.7
339.04944	2.9
339.08728	4.9
341.06580	96.5
345.07471	2.2
347.09351	2.1
349.06854	9.7
351.04922	2.5
351.08670	17.4
352.05829	5.2
353.06567	63.3
361.07080	3.6
362.07809	2.0
363.08667	13.8
365.06583	46.8
367.04221	2.6
367.08145	22.0
371.07639	17.8
373.07056	3.5
377.06500	22.0
377.10583	2.9
379.08170	8.6
381.09753	13.3
383.07663	7.0
387.08508	2.3
389.06500	9.1
390.07419	3.0
391.08203	15.4
395.07645	62.8
395.12820	3.9
401.06717	4.5
403.08072	3.6
405.09714	6.6
407.02820	1.5
407.07632	36.6
417.09946	3.6
419.07736	28.9
419.94644	1.8
425.03036	3.4
425.08679	47.0
431.08737	2.7
433.09052	3.0
437.08734	22.2
443.09814	45.6
449.08957	4.7
455.09738	30.7
461.10010	9.6
467.73520	1.6
473.10831	100.0
479.09863	6.2
485.08826	1.9
491.11838	27.2
497.10846	33.0
503.09769	2.6
509.10876	4.9
515.11786	28.2
521.10956	8.0
527.11920	32.5
539.11896	26.6
545.12982	12.9
557.12927	34.7
567.25476	2.3
575.13995	36.4
593.15143	23.5
611.15820	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
52.60284	2.3
55.01878	3.1
63.59195	2.4
69.93541	10.6
70.45724	1.9
76.40228	2.0
85.02904	5.6
97.24156	2.2
107.04947	2.5
121.02837	2.3
135.04430	7.9
137.02347	31.4
161.02336	5.2
163.03932	3.3
171.04428	3.1
173.02393	2.7
175.03928	2.6
177.01820	6.0
178.08636	2.6
179.03432	3.1
187.03938	2.5
189.01831	13.8
190.19832	2.4
191.03433	4.2
195.02888	7.2
201.01926	2.6
203.03458	13.6
207.02870	6.1
215.03490	2.5
217.04916	3.6
219.02957	6.5
227.03427	2.8
229.04991	3.1
243.02928	2.7
257.04425	2.3
262.53296	2.4
279.06589	2.4
283.06073	4.1
284.06778	5.7
285.03873	3.0
295.05887	5.0
296.06403	2.1
297.07474	6.4
299.05447	6.1
307.06009	3.7
309.07504	5.8
310.04694	21.6
311.05515	85.7
312.06265	7.0
313.07120	7.5
323.05521	53.8
323.09097	3.9
324.06323	17.5
325.06989	18.0
329.06488	6.2
335.05377	7.0
336.06241	4.1
337.07071	29.8
338.07840	12.7
339.04907	4.0
339.08798	4.3
341.06570	97.6
349.07123	10.0
350.42972	2.3
351.04883	3.1
351.08670	16.2
352.05688	3.7
353.06540	68.6
353.10745	5.2
355.08035	3.9
361.06961	3.4
362.07724	2.9
363.08707	13.7
365.02484	3.3
365.06595	39.7
367.08224	24.2
369.05966	2.5
371.07660	18.1
377.06488	18.6
377.10501	2.7
379.08102	7.9
381.09891	11.4
383.07474	4.3
389.06604	6.9
391.08087	12.0
395.07611	54.9
403.07690	2.9
405.09830	2.7
407.07611	31.5
417.09656	4.1
419.07565	27.6
425.08649	42.8
429.09485	2.6
431.07602	2.9
437.08585	18.2
443.09805	37.6
455.09781	26.7
461.09973	7.8
473.10794	100.0
479.09549	6.7
485.08914	2.6
491.11902	25.8
497.10776	30.1
503.09940	3.4
509.10950	4.2
515.11688	20.4
521.10504	6.0
527.11926	30.5
539.11993	27.5
545.13135	10.6
557.12891	33.7
575.13855	32.1
593.15198	17.0
611.16028	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	611.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35633	1.6
55.67081	1.8
57.03432	5.1
69.91532	1.8
70.05747	9.3
81.03394	2.9
85.02900	5.8
93.03397	2.5
98.20849	2.1
103.03948	2.7
109.02876	3.0
121.02872	2.3
135.04411	9.6
137.02345	31.1
137.03383	1.9
147.04422	2.4
156.44911	1.7
159.04430	2.1
161.02336	6.9
163.03967	3.5
164.29971	2.0
165.01834	4.1
168.68687	1.9
177.01817	5.6
178.08678	9.2
179.03325	3.1
189.01796	10.6
191.03313	4.4
195.02856	5.4
203.03372	12.5
207.02867	6.6
207.09209	4.1
215.03406	5.1
217.05014	5.5
219.02826	6.4
221.10793	1.8
229.04982	5.3
233.04543	4.1
236.07523	2.0
239.11821	2.2
255.02870	4.8
257.04333	4.2
267.02814	2.2
267.11200	2.9
273.03989	2.3
283.05902	6.7
284.06830	5.5
285.04114	4.3
287.05460	2.5
295.06030	6.0
296.06903	3.4
296.25662	1.8
297.07648	5.8
299.05560	16.8
300.06125	3.4
307.06168	1.9
309.07755	2.7
310.04688	18.0
310.08002	3.2
311.05511	81.2
311.08841	4.4
312.06241	6.1
313.06973	9.1
321.07269	3.0
323.05530	54.2
324.06323	17.9
325.07108	15.0
329.06607	14.7
335.05478	5.3
335.09192	2.2
336.06302	4.7
337.07056	33.2
338.07968	11.3
339.04904	3.1
339.08615	5.8
341.06555	100.0
349.07098	8.0
351.04929	3.3
351.08655	16.2
352.05783	2.9
353.06573	60.2
353.10751	4.3
355.08240	3.6
361.06979	3.6
363.08624	11.6
365.06525	45.6
365.10785	2.8
366.07578	2.6
367.08105	21.8
371.07626	14.7
373.07022	2.6
377.06552	21.1
377.10693	3.6
379.08112	7.9
381.09857	10.9
383.07608	5.8
389.06564	6.4
391.07941	12.2
393.09842	2.4
393.14200	2.6
395.07617	54.3
401.06305	4.2
403.07877	4.0
405.09537	7.2
407.07556	28.3
413.09058	2.7
417.10110	2.3
419.07578	24.1
425.08603	40.8
425.13947	2.4
431.07822	4.4
437.08606	15.0
443.09796	45.7
449.08807	4.3
455.09686	26.2
461.09921	8.0
473.10843	88.7
479.09592	7.9
485.09430	2.7
491.11951	26.2
497.10764	35.8
503.09665	3.9
509.10693	3.0
515.11914	30.2
521.10706	5.2
527.11920	25.9
539.11938	22.1
545.13037	18.3
557.12994	25.2
575.05280	2.7
575.13898	27.1
593.15082	23.7
611.16003	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
57.03428	2.8
61.02943	1.5
69.22559	11.1
73.24542	1.2
76.12624	1.3
81.03439	2.4
85.02888	4.0
88.39832	1.4
101.88873	1.4
103.05468	1.2
103.44336	1.4
121.02850	2.7
121.82014	1.4
135.04457	9.7
137.02357	26.2
138.82072	1.4
149.02383	1.8
159.04404	1.6
161.02330	4.2
165.01848	3.2
175.03947	2.6
177.01852	3.9
178.08661	4.2
179.03416	4.1
187.03925	1.5
189.01859	10.7
189.05453	1.8
191.03389	3.7
193.05292	1.4
195.02888	5.6
199.03806	1.9
201.01906	2.0
201.05492	2.3
202.02533	1.4
203.03418	14.2
205.05003	2.3
207.02872	9.2
210.66017	1.6
215.03346	2.8
217.04868	7.0
219.02888	4.5
221.04478	2.6
222.23825	1.3
227.03409	3.0
229.04849	2.2
231.02913	2.4
233.04480	1.7
241.05045	1.7
245.04369	2.1
255.02782	4.0
257.04526	2.9
270.05014	1.5
283.05969	4.0
284.06720	6.5
295.06021	5.5
296.06641	2.7
297.07495	3.4
299.05478	21.7
300.06207	4.5
308.06766	2.0
309.07587	4.0
310.04681	13.0
311.05527	100.0
312.06433	8.3
313.07083	16.6
314.07727	2.1
323.05536	74.3
324.06235	15.1
325.03476	2.8
325.07040	24.0
328.05728	2.2
329.06570	8.5
333.07547	2.9
335.05502	8.0
336.06357	6.7
337.03195	2.6
337.07092	39.3
337.11133	2.3
338.04276	1.6
338.07565	7.1
339.04889	7.1
339.08740	6.6
340.05746	2.9
341.06604	81.6
342.07294	2.2
349.07089	8.5
350.07986	2.4
351.04874	6.2
351.08640	21.1
352.05807	8.7
353.06616	48.9
354.07178	2.1
355.08090	4.9
359.91360	1.5
361.06973	3.5
363.05048	2.0
363.08768	14.8
365.06555	41.4
365.10110	1.7
366.07285	3.4
367.08258	17.0
369.06009	6.8
371.07635	4.2
373.07297	1.8
375.08728	1.7
376.94781	1.5
377.06561	16.3
377.10626	2.2
379.08231	16.3
381.05838	5.5
381.10083	8.5
383.07498	5.8
389.06354	9.6
391.08133	12.4
393.06006	8.9
394.06992	2.1
395.07635	23.6
397.08847	2.1
401.06650	5.2
403.08240	2.5
405.09998	2.8
407.07648	43.8
409.09219	13.4
411.06937	3.9
413.08652	2.6
419.07443	16.9
421.09329	2.5
423.06558	1.6
425.08719	38.4
431.09149	2.0
433.09003	4.9
435.06851	2.9
437.08752	35.9
439.09958	1.7
443.09763	20.3
445.09457	1.8
447.11432	2.6
449.08862	3.0
451.10278	2.8
453.08453	1.6
455.09772	78.9
457.09811	1.9
461.09189	4.5
463.09940	1.6
471.09122	2.0
473.10876	47.9
479.09818	9.0
485.09366	2.5
491.11353	16.7
493.11243	2.1
497.10904	36.3
503.09866	4.8
509.04114	1.7
509.11011	21.6
511.12564	4.3
515.12170	8.3
521.10938	16.8
527.11920	19.7
529.12909	1.7
539.04413	2.4
539.12000	39.9
545.12408	3.2
557.12939	74.8
558.12970	1.5
575.14032	97.9
593.15063	17.9
611.15881	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	611.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50092	0.8
55.01881	0.9
57.41629	0.8
65.10023	0.9
67.78497	0.8
68.99763	1.0
69.03404	1.3
69.74168	0.9
70.06588	1.5
71.45247	1.2
72.17449	0.9
81.03397	1.4
85.02896	2.0
86.09701	1.1
86.99986	0.9
91.05444	0.9
97.02906	1.2
109.02882	1.2
121.02815	1.7
135.04388	2.8
137.02365	5.0
147.04483	0.9
147.94389	1.0
149.02351	2.2
161.02313	1.0
163.03931	1.6
165.01862	11.0
166.94598	0.9
167.03360	2.4
167.07208	0.9
177.01819	3.2
178.08630	7.0
183.02850	2.7
187.03935	1.2
189.01872	1.0
194.09741	0.9
195.02922	1.9
203.03415	1.2
205.04970	1.3
206.08438	1.7
207.09178	8.4
215.03322	1.2
220.09810	0.9
221.10783	9.6
236.07869	1.3
239.11763	1.8
243.02710	1.1
249.10204	1.5
255.06352	1.6
263.06552	1.4
267.11349	5.6
283.06088	8.7
283.09122	1.3
286.04532	3.4
287.05487	7.5
289.21011	0.8
295.06033	2.7
297.07513	6.8
298.11240	1.0
299.05508	100.0
300.06262	7.8
307.05881	1.2
309.07495	2.3
311.05576	17.0
311.09189	2.3
312.06390	1.9
313.03699	1.4
313.07077	3.5
321.07492	2.7
323.05582	6.3
324.06235	3.5
325.03577	2.1
325.07047	23.4
325.57410	1.1
327.05072	1.4
329.06537	72.0
337.07162	5.8
339.04880	2.1
339.08646	18.8
341.06610	5.7
342.10492	1.9
343.16653	2.8
344.16797	3.8
345.17102	4.2
349.06802	4.8
351.04907	1.4
351.08734	2.1
353.06537	29.6
357.61414	1.0
358.12885	1.2
359.13083	4.3
365.06558	13.4
367.08170	5.1
377.06494	11.6
383.07629	3.0
391.08093	1.2
393.14355	4.5
395.07648	17.8
407.07397	3.4
411.15314	2.0
413.08569	6.0
425.08527	1.7
431.09537	3.2
437.08618	1.4
443.09570	1.1
449.10974	1.9
455.09598	1.7
461.10788	20.9
473.10492	4.1
479.09824	1.4
491.11884	32.4
497.10480	2.5
509.10617	2.0
515.11877	26.5
521.10608	1.1
521.18219	1.2
527.11761	2.5
539.11493	3.2
545.12866	23.4
557.12823	14.6
575.14063	27.1
593.15027	28.7
611.15717	11.0
611.24634	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	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.06466	0.5
53.03944	1.6
55.01867	1.4
55.05513	10.5
55.88029	0.4
57.03450	2.4
57.07074	1.7
59.17444	0.4
61.73047	0.4
64.88546	0.4
65.03939	1.1
67.05508	22.2
69.07073	10.5
69.40559	2.2
69.40963	1.3
71.04984	0.9
71.08621	0.5
79.05497	17.6
81.07059	20.2
83.04961	1.1
83.08623	5.4
85.06550	1.5
91.05483	14.3
93.07047	16.8
95.04967	1.6
95.08607	17.5
97.06529	2.9
97.10162	2.9
99.08130	0.7
103.05447	0.7
105.04503	0.7
105.07032	14.4
105.46614	0.4
107.04955	0.6
107.08598	10.6
107.09293	0.8
109.06503	0.6
109.10162	8.7
111.08105	1.0
115.05463	1.4
116.06264	0.6
117.07026	8.6
119.08584	14.0
121.10143	8.1
123.08091	0.7
123.11739	2.5
125.09668	1.0
128.06184	2.5
129.07001	8.2
130.07829	0.7
131.08577	11.6
133.10138	9.6
135.08072	0.5
135.11682	4.7
137.13277	0.9
141.06993	3.8
142.07822	1.9
143.08569	9.7
144.09346	0.6
145.10120	14.0
147.11696	6.3
148.71452	0.4
149.09663	1.0
149.13264	1.6
153.07011	0.8
154.07756	0.8
155.08556	8.9
156.09375	1.6
157.10127	8.7
159.11676	8.8
161.13264	3.7
163.11250	0.6
163.14825	0.8
165.07066	0.7
166.07703	0.6
167.08562	3.5
168.09401	1.1
169.10124	10.1
170.10910	0.8
171.11678	10.2
173.13281	5.7
175.14868	1.9
179.08627	1.0
179.14427	0.6
180.09415	1.0
181.10138	6.2
182.10941	0.9
183.11696	10.2
185.13240	7.2
187.14793	2.5
189.16400	0.6
193.10138	2.2
194.10931	0.5
195.11685	6.1
196.12433	0.6
197.13269	7.1
199.13185	0.7
199.14838	5.1
201.16435	1.8
207.11746	1.9
209.13287	5.2
211.14807	4.2
213.16454	2.7
215.18027	1.0
219.11777	0.7
221.13307	1.2
223.14833	3.7
225.16409	3.2
227.18112	2.7
229.19513	0.5
233.19022	1.0
235.14853	1.3
237.16417	2.1
239.18042	2.0
241.19730	1.3
247.14859	0.5
249.16356	1.0
251.18031	1.4
253.19591	1.8
255.21141	0.7
257.19125	1.9
258.80774	0.4
259.20462	0.5
261.22226	0.6
263.17920	1.3
265.19553	1.2
267.21271	1.2
271.20575	0.7
275.20212	3.7
277.19592	0.8
279.21149	0.6
283.20923	0.6
293.18668	0.5
295.20670	0.7
297.22327	0.8
299.23526	0.6
309.22070	0.6
311.23849	0.6
315.23059	0.5
323.23779	0.9
325.25354	0.6
331.22809	0.6
337.25235	1.0
339.23306	0.8
349.25314	0.9
351.26868	1.8
363.26907	0.8
365.24463	0.6
365.28558	1.7
367.26224	0.6
369.27780	0.5
375.26648	0.4
379.26031	0.6
379.30292	0.5
391.30347	0.7
393.27734	0.7
395.29468	0.5
405.31464	0.8
407.29416	0.6
421.31015	0.6
423.32269	0.4
425.30966	0.6
447.32800	1.2
449.34225	0.6
459.31216	0.5
461.33203	0.6
475.35001	0.7
499.39474	1.0
501.35663	1.0
517.40460	6.6
521.36438	1.0
527.37512	0.7
535.41510	5.0
539.37292	1.8
540.38123	1.0
553.42725	0.6
573.43085	1.1
591.35303	0.9
591.44153	7.6
609.45154	100.0
610.45575	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	609.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03938	2.1
55.01862	1.7
55.05265	0.7
55.05515	11.4
57.03444	2.6
57.07069	1.4
65.03936	1.6
65.41642	0.5
67.05505	24.0
67.09333	0.4
69.07069	10.2
69.20314	0.6
69.40187	3.6
71.04988	1.1
74.03292	0.4
79.05496	17.9
81.07059	22.1
83.04984	1.5
83.08627	4.3
85.06541	1.3
91.04903	0.5
91.05481	17.5
93.07047	18.2
95.04958	1.8
95.08612	20.3
97.06530	1.9
97.10184	2.6
103.05482	0.8
105.07039	16.1
107.04974	0.9
107.08599	13.3
109.06493	1.4
109.10161	7.5
111.08093	1.6
113.09666	0.6
115.05441	1.1
117.07019	9.0
119.08588	13.6
121.06505	0.6
121.10161	7.4
123.08076	0.7
123.11703	1.8
125.09652	1.5
128.06230	2.2
129.07008	8.2
130.07750	0.9
131.08574	12.3
133.10138	11.3
135.11699	5.4
137.09665	0.6
137.13258	0.8
141.07001	4.4
142.07794	2.2
143.08574	11.6
145.10121	13.9
146.62067	0.5
147.11687	4.9
149.09662	1.0
149.13257	2.1
153.06985	0.7
155.08556	8.8
156.09369	1.3
157.10136	11.2
159.11705	9.0
161.13274	2.7
163.11206	0.9
163.14841	1.0
165.07010	1.3
166.07777	0.7
167.08580	4.1
168.09332	1.9
169.10129	11.9
170.10971	0.7
171.11696	10.7
173.13281	5.7
175.14871	1.8
179.08586	2.2
179.14346	0.7
181.10121	5.4
182.10889	0.8
183.11705	10.8
185.13242	6.4
187.11171	0.6
187.14821	2.7
189.16437	1.4
193.10167	2.2
194.10925	1.0
195.11736	6.5
196.12508	0.7
197.13277	9.2
199.13353	0.6
199.14871	4.2
201.16423	2.3
207.11728	2.3
209.13274	6.3
210.14064	0.8
211.14835	5.1
213.16446	2.9
215.17952	1.1
221.13280	2.0
223.14857	3.6
225.16399	4.4
227.18103	2.4
229.19620	0.6
233.13284	0.9
235.14882	1.5
237.16385	3.8
239.17992	2.7
241.19737	0.7
247.14713	0.7
249.16447	1.3
251.18021	1.3
253.19566	1.3
255.19502	0.7
257.19043	2.2
259.20374	0.6
261.22238	0.9
263.18073	0.8
265.19464	1.1
267.21317	0.8
275.20139	4.0
277.19440	0.7
279.21198	0.7
283.20691	0.9
293.21097	0.5
297.22055	0.8
306.28775	0.6
309.22217	1.1
311.23752	0.8
313.21851	0.6
320.49091	0.5
321.22073	1.0
323.23712	1.4
327.23273	0.6
331.22589	1.1
335.26221	0.7
337.25232	1.4
349.25375	1.2
351.22919	0.6
351.26874	2.3
363.27084	0.6
365.28473	1.3
389.27112	0.7
391.30121	0.8
393.31741	0.8
405.31815	0.6
407.29135	0.6
413.30637	0.7
425.30762	0.8
435.32516	0.7
447.32642	2.1
449.34003	1.0
465.33545	0.6
499.39883	1.0
501.35516	0.8
517.40491	7.9
521.36945	0.8
525.35284	0.6
527.38019	0.6
535.41571	4.5
539.37347	1.2
540.37860	1.2
541.38721	0.7
591.44055	7.7
609.45160	100.0
610.45612	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4512
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03939	1.1
55.01869	1.1
55.05513	10.7
56.47021	0.5
57.03443	3.4
57.07074	0.9
64.08310	0.5
65.03942	0.7
67.05510	17.4
69.07071	9.5
71.05005	0.8
71.08639	0.6
75.91345	0.6
77.03943	0.6
79.05496	11.8
81.07057	16.2
83.05003	0.8
83.08611	5.3
85.06542	0.9
91.05482	10.6
93.07047	12.7
95.04996	1.1
95.08610	14.3
97.06516	2.0
97.10172	3.3
98.21501	1.3
99.08096	0.5
103.05484	0.5
105.07037	11.1
107.08597	8.3
109.10179	6.2
111.08090	1.0
115.05439	0.8
117.07027	6.0
119.08580	10.1
121.10133	5.7
123.08097	0.9
123.11730	1.9
125.09627	0.8
128.06223	1.8
129.07007	9.1
129.98996	0.5
131.08571	9.3
133.10129	8.2
135.08025	0.7
135.11685	3.5
137.09717	0.5
137.13274	0.7
139.11227	0.6
141.06978	3.6
142.07793	1.9
143.08563	10.8
145.10130	9.6
147.11703	4.6
149.13274	2.0
153.06963	1.2
154.07806	1.3
155.08554	9.9
156.09383	1.8
157.10132	11.0
157.12103	0.5
158.10915	0.6
159.11703	8.8
161.13258	2.7
161.21823	0.5
163.14780	1.2
165.07063	0.8
167.08582	3.7
168.09401	1.6
169.10126	13.0
170.10922	0.7
171.11716	9.2
173.13251	4.4
175.14885	1.4
177.16451	0.7
179.08621	1.8
180.02835	0.5
180.09418	0.6
181.10121	5.6
182.10931	1.0
183.11711	11.4
183.13231	1.0
184.12547	0.6
185.13235	6.8
187.14854	3.1
189.16396	1.4
193.10112	2.5
194.11090	0.7
195.11711	6.6
196.12495	0.9
197.13261	7.9
199.13313	0.7
199.14870	4.0
201.16428	1.6
203.18076	0.6
205.10168	0.8
207.11722	2.6
209.13268	6.9
211.14819	7.1
213.16452	2.5
221.13281	2.7
223.14796	4.5
225.16370	3.9
227.18111	2.5
229.19611	0.6
233.13182	0.6
235.14879	2.2
237.16402	3.2
239.18011	2.7
241.19572	2.1
249.16449	1.0
251.17911	2.4
253.19594	1.2
261.16425	0.6
265.19513	1.6
267.21115	0.9
271.20438	0.7
277.19513	0.8
279.21234	1.0
281.22739	1.1
283.20590	0.8
285.22263	0.6
293.22525	0.6
297.22119	0.9
299.20193	0.9
305.22394	0.6
307.20667	0.7
309.22195	1.0
311.23697	0.8
313.21948	0.6
321.22342	1.2
323.23706	1.2
325.21609	1.3
325.25281	0.7
333.22092	0.6
335.23682	1.3
337.25424	1.7
339.23294	0.7
343.19363	0.5
349.25357	0.8
351.26859	1.3
353.24811	0.7
355.26566	0.7
363.27081	0.8
365.28546	1.5
367.26401	0.8
369.28113	0.6
379.25943	0.7
381.28140	0.8
385.27838	0.5
389.28293	0.6
391.29959	1.2
403.30063	0.6
405.31519	0.7
409.31314	0.8
425.30377	0.7
447.32614	1.6
461.34711	0.6
499.39496	1.6
515.38171	0.7
517.40460	10.4
535.41656	4.9
539.37122	1.5
541.38403	0.6
553.42743	1.1
565.42395	0.9
573.43170	2.9
591.44116	13.0
609.45135	100.0
610.45374	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03944	1.0
55.01865	1.5
55.05514	12.8
57.03434	2.7
57.07074	2.0
58.54902	0.5
65.03947	0.6
67.05508	20.1
69.07070	10.3
71.04984	1.4
71.26290	1.2
79.05495	10.9
81.07060	20.4
83.04964	0.9
83.08624	5.5
85.06533	1.1
85.10242	0.5
86.97819	0.5
91.05483	10.1
91.06014	0.8
93.07044	11.4
95.04973	0.9
95.08610	14.7
97.06541	2.0
97.10171	2.6
105.07038	11.4
107.08605	9.4
109.10159	6.8
111.08100	1.0
115.05461	0.8
117.07028	6.7
119.08575	11.1
121.10166	5.5
123.11726	2.0
125.09636	1.5
128.06247	2.5
129.07005	10.0
131.08575	10.4
133.10133	8.3
135.11717	3.8
137.09633	0.7
137.13191	0.6
141.06998	4.2
142.07741	2.5
143.08572	11.1
145.10124	11.5
147.11681	3.9
149.13280	1.9
153.07014	1.8
154.07791	1.3
155.08565	8.4
156.09396	1.3
157.10138	13.4
159.11714	7.5
161.13216	2.6
165.06993	0.6
166.07745	1.0
167.08562	5.3
168.09346	1.4
169.10130	13.9
170.11049	0.8
171.11713	8.7
173.13246	5.0
175.14909	1.4
179.08603	1.6
180.09360	0.9
181.10135	8.0
182.10931	1.8
183.11710	12.9
183.13229	1.0
185.13254	7.3
187.14851	2.9
189.16454	1.5
193.10120	2.9
194.10973	1.0
195.11696	8.3
196.12463	0.9
197.13287	10.9
199.14812	5.5
201.16411	1.6
203.18047	0.7
205.10181	1.2
207.11684	2.8
209.13286	7.4
210.13921	0.6
211.14821	7.1
213.16455	3.9
215.17899	0.8
219.11736	0.9
221.13271	3.0
223.14818	5.9
225.16370	4.9
227.18066	2.7
233.13304	1.1
235.14886	2.4
237.16414	4.2
239.18057	2.8
241.19885	0.8
247.14864	1.0
249.16469	1.6
251.17905	2.7
253.19525	1.5
261.16446	0.9
263.17978	0.8
265.19577	2.0
267.21219	0.6
277.19669	0.9
279.20923	1.0
283.20673	0.8
291.21210	0.8
293.19153	0.8
293.22623	1.0
295.24399	0.7
297.22086	0.7
299.20367	0.8
307.24127	0.7
309.22153	0.8
313.21527	0.9
313.25031	0.6
321.22156	1.1
323.23618	1.4
335.23706	0.8
337.25284	1.3
339.26978	1.2
349.25281	1.1
351.26874	2.0
355.26440	0.8
363.26944	1.2
365.28433	1.4
377.28564	1.0
379.26068	1.0
379.30319	1.3
381.27753	0.7
389.27859	0.7
391.30222	1.3
405.32047	0.9
409.30917	0.6
421.30450	0.7
433.31250	1.1
435.32196	0.7
447.32443	1.3
449.34256	0.9
461.34470	0.7
499.39624	1.3
501.36304	0.8
515.37982	0.7
517.40497	11.8
521.36212	1.2
535.41492	6.3
539.37177	1.3
553.42542	0.6
555.41998	0.8
573.42651	2.5
591.44141	17.8
592.27051	1.4
609.45190	100.0
610.45636	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.01863	3.1
55.05513	7.8
56.50873	0.9
56.96576	1.0
57.03429	2.9
57.07071	3.6
59.04980	1.1
61.02927	2.8
62.91627	0.7
65.03920	1.2
67.05506	12.9
68.99779	1.7
69.03432	15.8
69.06723	1.3
69.07072	17.6
69.48467	4.3
69.48874	2.0
71.04994	3.1
71.46272	0.8
73.02902	1.9
79.05495	12.0
81.03418	14.0
81.07060	100.0
83.04991	5.6
83.08624	5.8
85.02912	26.9
85.06516	4.3
86.09698	0.9
87.00838	13.2
89.03912	7.6
91.05489	9.2
93.07046	17.4
93.67611	0.7
95.04988	6.3
95.08611	48.4
97.02891	12.7
97.06528	2.4
97.10172	5.3
98.97594	2.2
99.04456	5.2
99.08095	3.3
103.05453	0.9
105.01868	10.9
105.07034	13.6
107.04936	1.1
107.08600	15.6
109.02888	14.0
109.06529	3.9
109.10164	18.9
111.04445	3.2
111.08094	2.3
111.11721	3.2
113.09644	1.5
115.03956	1.2
117.03380	17.4
117.07039	2.6
119.04950	1.6
119.08571	9.5
121.02882	3.7
121.06493	2.0
121.10142	12.1
123.08079	2.3
123.11700	6.9
125.09669	0.9
125.13218	0.9
127.03925	27.9
127.07566	5.9
127.11201	1.4
131.08600	4.3
133.10136	8.3
135.04449	1.4
135.08049	1.7
135.11694	15.9
137.05986	3.6
137.09648	2.8
137.13260	33.0
139.11159	1.7
145.02847	44.0
145.04823	6.3
145.10092	5.0
147.04440	1.0
147.11684	9.3
149.06010	5.7
149.13261	5.7
151.07559	2.1
151.11220	1.0
151.14832	2.6
153.12756	3.7
154.26758	0.9
155.10713	1.8
155.14301	11.8
155.85016	1.0
159.02905	2.7
159.11713	4.8
161.13226	3.8
163.11185	2.1
163.14822	3.3
165.01787	1.3
165.12762	3.2
167.07167	1.4
171.13799	1.8
173.13287	2.7
173.15382	16.6
175.14854	2.5
177.05478	84.0
177.16367	1.3
178.05812	0.9
178.08629	1.2
181.12279	1.0
186.05406	1.5
187.14832	1.7
189.16391	2.7
191.10806	0.9
201.16508	1.3
203.17976	1.6
205.19334	0.8
213.04039	2.3
215.18111	1.8
231.05034	9.4
249.06079	3.0
251.19969	1.2
255.06526	1.6
256.07275	2.0
259.24045	1.3
271.06012	7.8
271.24240	6.9
277.25327	3.2
283.05957	4.8
284.06839	7.8
289.05197	1.2
289.25275	15.2
295.05988	3.6
295.26382	2.2
307.26328	25.4
313.07065	45.5
325.27386	4.0
337.07004	2.0
343.22601	2.0
343.28391	2.7
361.29593	1.1
367.07941	1.1
379.08310	2.0
385.18759	4.1
397.09158	0.9
403.19604	4.7
415.10208	2.1
433.11288	2.9
565.29871	0.9
577.22308	0.9
591.14777	1.9
591.26740	2.3
609.16028	5.4
609.28418	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	609.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.4
53.03948	6.4
55.01866	8.7
55.05510	18.5
57.03439	3.8
57.07074	7.9
59.04990	2.6
61.02913	4.5
64.47418	2.0
67.05175	2.7
67.05511	25.3
69.03436	24.8
69.07074	37.8
69.50111	16.1
71.04990	7.6
73.02921	5.1
79.05505	22.2
81.03427	20.1
81.07063	100.0
83.04987	6.7
83.08616	12.8
84.08137	2.1
85.02910	49.3
85.06551	23.2
87.00837	21.8
91.05489	18.8
93.07055	37.6
94.89175	2.0
95.04968	8.5
95.08614	88.4
95.61827	2.5
97.02905	20.8
97.06542	5.4
97.10168	9.7
98.97613	2.9
99.04462	7.4
99.08110	24.9
101.02357	2.2
101.32333	2.3
103.05460	2.3
105.01869	12.0
105.07034	30.7
105.14252	2.3
107.04984	2.0
107.08603	36.1
109.02879	15.4
109.06531	5.0
109.10159	47.9
111.08102	5.1
111.11729	11.3
113.09672	7.0
117.06976	3.7
119.08595	25.8
121.06502	2.2
121.10137	42.2
123.08056	2.9
123.11691	22.5
125.09561	4.0
127.03931	28.3
127.11250	3.0
131.08577	8.8
133.10141	19.5
135.11699	26.9
136.07495	3.0
137.05991	5.6
137.09557	4.6
137.13277	9.8
139.11205	5.8
145.04941	6.1
145.10107	12.9
147.11702	22.5
149.13255	18.2
151.11172	3.1
155.10686	3.7
159.02887	6.2
159.11676	16.0
161.13283	15.9
163.14885	12.0
163.31186	2.1
165.12724	7.2
167.14282	2.7
173.13252	6.9
175.14803	10.6
177.16385	29.7
179.14304	2.3
187.14806	6.1
189.16466	7.5
195.17458	26.1
201.16422	2.5
203.18094	2.9
212.16907	2.1
213.18526	43.5
215.17952	5.9
231.05064	5.6
257.12888	3.4
259.24161	3.2
269.09216	3.0
271.06049	9.6
271.24261	16.3
277.25198	12.0
289.25302	42.0
295.26364	25.2
307.26324	50.9
325.11951	4.3
325.27374	22.4
343.12784	2.9
343.28497	8.9
371.12323	6.2
372.40875	2.2
533.17639	3.3
563.03082	2.2
581.77356	2.2
609.21844	10.0
609.31824	4.2
610.28546	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	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03944	0.8
53.24696	0.4
53.41891	0.4
55.01879	0.6
55.05517	3.1
55.84830	0.4
57.03430	0.9
57.07074	0.6
65.03949	0.9
66.80711	0.4
67.05509	7.7
69.07074	3.3
70.72024	0.8
70.72373	0.5
71.08620	0.4
79.05499	7.4
81.07064	7.6
83.04974	0.5
83.08629	1.5
84.88522	0.3
85.06526	0.6
91.05491	6.1
93.07043	6.8
95.04977	1.1
95.08613	5.8
97.06545	0.5
97.10205	0.6
97.62895	0.3
100.93237	0.3
105.07039	6.4
107.04952	0.4
107.08591	4.2
109.06508	0.3
109.10180	2.3
114.88008	0.5
115.05451	0.4
117.07012	2.5
117.82552	0.5
119.08591	4.8
121.06496	0.4
121.10143	2.8
123.08076	0.4
123.11741	1.0
129.07039	1.7
131.08562	4.2
133.10123	3.4
135.11671	2.0
141.06992	0.4
142.07822	0.5
143.08577	1.4
145.10130	5.5
147.11697	2.7
149.09651	1.3
149.13339	0.6
155.08580	1.0
157.10179	1.8
159.11702	4.2
161.09656	0.5
161.13289	0.9
163.11157	0.6
169.10172	1.1
171.11722	1.3
173.13303	1.4
179.14340	0.6
183.11736	1.2
185.13252	2.0
197.13361	1.1
199.14844	0.5
201.16527	0.5
206.59032	0.4
209.13326	0.5
211.14853	0.6
213.16356	0.6
218.39838	0.4
223.12277	0.4
225.16249	0.4
239.18048	1.3
245.18730	0.4
251.15390	0.5
257.19031	3.9
261.22101	0.5
275.20062	4.9
331.22858	1.0
335.25812	2.2
336.14288	0.5
374.99683	0.4
376.17209	0.6
377.17664	0.9
388.18109	0.5
389.18237	0.7
390.19144	0.7
391.19269	1.7
392.20218	1.5
393.20966	0.4
400.17068	0.6
401.17831	1.0
403.19577	0.5
404.20428	1.0
405.21021	2.7
406.21704	1.5
407.22269	3.1
414.18591	0.6
415.19302	2.3
417.21341	0.6
419.18317	0.9
420.23386	0.9
421.23926	4.3
422.24615	0.8
427.19574	0.9
429.20935	2.5
430.22028	1.4
431.22919	0.6
433.15552	0.5
433.20016	0.6
433.24280	1.3
435.21545	0.7
440.20483	0.4
442.21750	0.5
443.22910	0.8
444.23196	1.6
445.20160	0.5
447.17209	1.9
447.32361	0.4
449.23541	0.5
457.24390	2.0
458.24667	0.5
459.21780	2.7
460.22562	1.4
461.19098	4.9
462.20264	2.0
463.21149	1.2
470.21277	0.5
471.18445	0.8
472.22815	1.3
473.19504	0.9
474.20328	0.8
475.21042	8.1
476.21826	7.3
477.22287	4.4
478.23734	0.7
485.23544	10.3
486.20334	3.2
487.25040	1.3
488.22122	0.8
489.23004	4.5
493.21661	0.5
494.26801	1.0
497.23611	0.5
499.21228	2.4
500.22144	2.2
502.24438	0.5
503.24612	5.6
504.25293	1.4
505.21790	0.5
507.24060	1.3
513.23047	1.5
515.24384	9.2
517.22418	1.1
517.40521	0.5
518.22748	0.5
521.26257	3.4
531.23914	16.5
532.24719	0.5
535.23334	1.1
541.22388	0.9
548.24518	0.6
549.24969	2.1
550.25830	5.6
559.23523	6.7
577.24518	1.9
591.26068	27.6
595.45410	0.5
609.27106	100.0
609.44379	19.0
610.27393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01863	0.4
55.05514	1.5
55.79146	0.3
57.07077	3.6
59.04996	1.6
65.89596	0.3
67.05513	3.5
69.07069	1.5
69.71177	0.7
69.71590	1.3
71.08641	2.7
71.28432	0.3
75.35876	0.3
79.05503	2.7
81.07056	3.2
82.83555	0.3
83.08613	0.3
85.10191	2.7
87.04463	0.7
89.06042	4.0
91.05484	2.2
93.07045	2.7
95.08620	1.7
105.07037	2.0
107.04955	0.4
107.08609	2.1
109.10159	1.2
117.07024	1.1
117.09097	0.3
119.08579	1.5
121.10126	1.0
123.11797	0.3
129.07043	0.5
131.08557	1.4
133.08614	2.1
133.10135	1.0
135.11694	0.7
143.08591	1.2
145.10095	1.7
147.11685	1.0
149.09752	0.4
155.05920	0.3
155.08548	0.7
157.10156	0.7
159.11728	0.8
169.10199	0.7
171.11751	0.7
173.13327	1.0
177.11287	0.9
183.11778	0.5
185.13286	0.5
187.14828	0.4
197.13324	0.7
209.13170	0.5
213.16570	0.3
221.13599	0.4
235.12257	0.4
236.79573	0.3
237.16299	0.6
239.17975	0.3
257.19055	1.0
275.20093	1.1
331.22440	0.4
335.25839	0.4
361.15250	0.3
391.19370	0.8
401.17438	0.7
403.19730	0.4
404.20102	0.5
405.20816	1.2
415.19388	1.3
416.20490	0.5
417.21072	0.7
418.17505	0.4
419.18103	0.5
419.22610	1.0
420.23575	0.5
429.20844	2.7
430.21646	0.9
431.18417	1.1
431.23206	0.7
432.19623	0.6
433.24957	1.8
434.21161	0.5
435.21930	0.5
443.22311	1.2
444.23682	1.7
445.23889	1.4
447.22540	2.1
448.22824	0.4
449.23486	0.9
457.19781	0.6
458.24976	0.5
459.21536	4.0
460.22778	2.2
461.19437	2.0
461.23895	2.0
462.19861	2.1
463.20865	0.7
471.21851	0.7
472.22751	2.2
473.23535	1.4
475.21164	1.2
476.22147	2.4
476.80618	0.4
477.23080	1.8
485.23560	1.2
487.25162	3.0
489.23071	1.6
490.23706	0.4
492.24701	0.6
503.25067	1.7
504.21671	0.5
507.23782	0.4
517.40576	0.5
519.24133	1.8
521.21375	2.5
531.23944	22.1
532.24677	0.9
549.25031	12.3
549.31781	0.3
563.26660	1.0
580.23260	0.6
581.27667	0.4
591.26086	3.0
591.44342	0.6
608.44257	1.4
609.27087	100.0
609.44794	7.5
610.27289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06601	4.1
69.03419	0.8
70.06590	1.4
70.85149	0.9
71.06107	1.2
72.60611	0.4
73.07682	0.7
85.02893	0.9
87.41685	0.5
91.05478	0.5
92.43036	0.5
121.02831	0.4
153.06999	0.5
164.17094	0.5
165.01730	0.4
165.06995	2.6
168.05693	0.5
174.06766	0.5
177.07008	2.4
179.08578	0.7
181.06491	2.1
182.07411	0.6
183.08083	0.8
192.05670	0.5
192.08035	0.8
193.06482	1.9
194.07304	1.3
195.08029	0.8
197.06018	1.2
198.06790	0.6
199.07536	1.2
205.06569	4.6
205.08478	0.7
206.07387	0.8
207.08041	0.7
208.07536	0.8
209.06029	2.2
209.09795	0.6
210.06841	2.4
211.07553	6.9
212.08337	1.1
213.09152	1.2
220.05234	2.7
220.07607	3.3
221.05959	3.9
222.06776	2.3
222.09026	1.0
223.07625	1.1
223.09740	0.6
224.08328	1.3
225.05606	1.0
225.09157	5.6
226.06339	1.5
226.08647	2.1
227.03348	0.9
227.07074	5.0
228.07967	0.8
229.08568	1.0
231.10159	0.7
233.06100	2.3
233.08034	0.5
234.06891	0.8
234.09174	2.6
235.07597	7.2
235.09859	0.8
236.07019	2.0
237.05444	1.0
237.09390	5.8
238.06392	0.9
238.08568	0.8
239.07112	6.2
239.09375	0.4
240.07800	5.2
240.10205	1.6
241.04968	0.6
241.08612	7.4
242.05722	1.5
248.04660	2.4
248.07077	3.7
249.05437	1.0
249.07704	1.0
249.34422	0.5
250.06230	1.1
250.08667	2.3
251.07042	2.0
251.09465	2.5
252.08167	2.4
252.10271	2.3
253.08638	8.2
254.07838	2.8
254.11971	0.8
255.06593	2.8
255.08878	0.7
256.07364	1.1
257.08099	4.9
258.08936	0.8
259.09521	0.6
262.08624	1.9
263.07053	11.7
263.09473	1.1
264.08029	2.4
264.10217	0.5
265.05157	0.6
265.08719	13.1
266.08536	1.8
266.11829	1.8
267.06638	1.1
267.10129	1.7
268.07291	3.9
268.09787	1.9
269.08151	2.0
270.06128	0.5
270.08865	4.5
270.11392	0.8
271.09708	5.0
272.10446	6.1
274.12012	6.3
278.08066	0.8
279.08945	3.3
280.07166	2.4
280.09753	7.1
281.10565	1.9
282.08286	2.1
282.11362	1.6
283.06070	3.0
283.09656	10.7
283.12622	0.7
284.10309	1.9
285.11319	2.0
286.10696	4.2
294.11234	16.6
295.09546	7.0
295.12219	0.8
296.09265	1.8
296.12491	0.5
297.11279	8.8
298.10901	0.6
298.14276	0.6
299.11417	0.6
300.12308	2.8
301.13107	4.2
309.07648	0.7
310.10980	0.7
311.11456	3.1
312.12305	3.2
313.07092	5.3
314.13870	21.8
315.14423	0.9
323.09109	1.1
326.13892	13.0
328.15298	2.4
337.07123	1.9
343.16547	100.0
344.17288	5.3
345.18143	2.6
361.17624	0.6
367.07791	0.5
379.08084	1.1
397.09113	1.2
415.10193	1.1
433.11401	0.8
573.12708	0.5
609.13422	0.7
609.22955	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	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
54.56926	0.3
55.05495	1.2
55.42279	0.3
57.07074	0.7
67.05501	2.7
69.07063	1.2
71.08642	0.4
75.73489	0.3
79.05478	1.6
81.07048	2.3
83.08628	0.5
91.05468	2.2
93.07039	2.3
95.04981	0.5
95.08607	2.1
97.06547	0.5
98.20695	0.5
105.07005	1.5
107.08571	1.4
109.10138	0.6
117.07004	0.8
119.08576	0.9
121.10157	0.9
129.07065	0.5
131.08571	1.3
133.10112	0.9
135.11717	0.7
143.08527	0.6
145.10150	1.4
146.87622	0.3
147.11671	0.8
149.09648	0.5
155.08609	1.1
157.10095	0.7
159.11685	0.4
161.13354	0.4
169.10193	0.9
171.11673	0.6
173.13304	0.5
179.14294	0.3
183.11736	0.5
185.13264	0.6
195.11687	0.4
197.13284	0.4
200.20155	0.3
209.13310	0.4
211.15079	0.4
221.31294	0.4
223.12427	0.4
237.13757	0.5
239.15523	0.6
239.17880	0.5
244.50496	0.3
257.19034	0.6
266.07767	0.4
275.20123	1.4
361.15741	0.4
377.17740	0.4
388.17874	0.4
389.18173	0.7
390.18781	0.7
391.19202	1.5
392.19928	1.0
400.16888	0.3
401.17810	0.9
403.19498	0.9
404.20532	0.8
405.20798	1.7
406.21619	1.7
407.22357	2.4
413.17770	0.6
414.18686	0.4
415.19165	1.8
417.21146	0.7
419.22580	1.1
420.23578	0.5
421.23810	3.4
427.19608	0.5
428.19864	0.4
429.21341	1.5
431.18442	0.6
432.19528	0.5
433.20016	1.6
435.21149	0.4
443.22656	0.7
444.23526	0.5
445.20499	0.9
447.18213	1.4
449.23672	0.6
452.21918	0.4
457.24658	0.8
459.22565	1.8
460.22607	1.2
461.19205	4.8
462.20663	1.4
463.21167	1.2
471.18442	0.9
472.22739	0.7
473.19739	0.6
474.19983	0.7
475.21191	6.2
476.21793	3.9
477.22388	3.7
485.23639	5.0
486.20322	2.2
487.20947	0.4
487.25729	0.6
488.21964	1.0
489.22903	4.2
493.22150	0.4
493.26151	0.4
494.26907	0.8
497.23663	0.6
499.21329	2.9
500.22058	0.8
502.23700	0.7
503.24564	5.7
504.21240	0.9
505.22702	0.7
507.23901	0.5
513.22974	0.9
515.24481	5.1
517.22009	1.6
521.26086	1.9
522.23810	0.4
531.23889	8.3
531.31415	0.6
533.25507	0.6
535.23938	0.7
535.41772	0.4
541.22583	0.8
548.24561	0.6
549.25031	1.7
550.25586	3.8
559.23346	4.1
563.26782	0.9
577.24341	2.0
591.26031	10.2
591.44318	0.5
609.27075	100.0
609.44983	9.7
610.27484	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85696	0.2
55.01879	0.2
56.71696	0.2
58.39399	0.2
63.21687	0.2
65.38128	0.2
67.01855	0.6
69.03437	1.9
70.47794	0.3
70.48107	0.4
73.02924	0.3
85.02913	1.1
91.05491	0.4
95.01312	0.5
97.02910	0.3
119.04929	1.8
121.02852	0.7
134.57175	0.2
137.02377	0.6
140.83720	0.2
141.01845	0.7
142.64925	0.2
145.02843	0.5
149.06003	0.5
151.03917	2.0
153.01849	3.3
159.02946	0.2
163.03928	0.4
165.01862	0.4
175.03912	0.3
177.01982	0.2
189.01880	0.4
217.04924	0.3
219.02895	0.5
225.05444	0.3
229.05070	0.6
233.04510	0.3
243.06432	0.2
253.04726	0.2
269.04404	0.2
271.06024	100.0
272.06329	0.6
281.08234	0.3
283.06039	4.6
285.23907	0.2
295.06073	0.4
297.07584	0.3
298.08481	0.3
307.06265	0.2
309.04153	0.2
309.07626	0.6
310.04724	0.5
310.08139	0.2
311.09149	0.3
313.07059	1.4
321.07437	0.3
322.04883	0.4
323.05560	0.3
323.09143	0.6
324.06256	1.3
325.07129	2.5
327.08536	0.3
336.06128	0.6
337.07098	3.1
338.07816	0.6
339.08633	0.7
349.06927	1.0
350.08005	0.4
351.08630	1.2
352.05447	0.5
353.10339	0.3
355.08170	2.1
363.08755	0.4
365.10214	0.4
366.07315	0.7
367.08148	6.2
379.08075	2.0
381.09802	1.2
385.09167	1.0
389.10278	0.3
391.08014	0.7
393.09851	0.5
397.09174	0.9
405.09515	1.4
407.11484	0.5
409.09216	3.6
415.10162	0.6
417.09619	1.3
421.09100	0.7
423.10449	0.5
433.11404	1.2
435.10776	2.7
447.10611	0.3
451.10413	0.3
453.11850	4.9
457.11166	0.7
459.10681	0.3
469.11487	0.4
471.12939	3.2
472.89020	0.2
477.11829	0.6
487.12512	1.2
489.11429	0.3
501.12073	0.4
501.58572	0.3
505.13254	1.0
511.12595	1.6
519.12732	0.6
529.13672	1.7
537.14044	1.0
555.06958	0.4
555.15015	5.7
573.16010	3.2
591.16797	0.8
609.14520	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
57.03444	3.8
65.92235	2.1
69.03422	5.2
70.28941	6.9
81.03418	3.3
82.41966	1.8
82.87564	1.8
84.83688	2.1
85.02904	8.6
97.02912	1.9
105.61819	2.0
109.02924	3.7
117.52866	2.1
119.04942	7.8
121.02872	24.6
145.02901	2.7
147.04333	2.2
149.05989	3.5
151.03943	7.1
163.03949	2.5
175.04022	3.3
177.01900	4.1
179.03510	2.5
189.01898	9.2
191.03355	3.4
195.02893	7.8
201.01712	2.5
203.03380	16.0
207.02881	9.0
217.05011	8.1
219.02910	5.5
221.04419	2.7
227.03450	4.2
229.05002	3.0
231.03027	2.8
245.04456	2.7
255.02943	7.4
267.06436	3.7
268.07330	5.3
271.06067	2.5
273.03961	2.8
279.06433	3.8
283.06009	17.6
284.06741	2.9
293.08054	4.1
294.05231	9.6
295.06024	100.0
296.06812	7.4
297.07526	14.7
307.06061	65.1
307.09299	2.1
308.06735	14.0
309.04181	4.5
309.07513	23.2
310.04694	3.0
311.05801	3.7
312.06259	4.1
313.07019	6.1
319.06113	9.7
320.06934	5.6
321.07553	32.6
322.04764	4.5
322.08365	6.8
323.05469	12.6
323.09091	4.2
324.06232	5.7
325.07068	83.5
325.10962	4.1
326.07751	5.2
333.07642	6.8
334.04782	3.1
335.05475	9.9
335.09177	28.4
336.06390	11.5
337.07047	46.8
338.07913	3.5
339.08572	8.9
341.06595	3.5
343.08188	3.2
347.05420	3.9
347.09186	13.5
348.06332	2.6
349.07034	32.0
349.10843	4.1
350.07870	3.1
351.08545	20.2
353.06503	8.3
355.08078	33.5
361.07050	14.3
361.10953	2.9
363.08643	22.6
365.06400	8.8
365.10272	8.2
367.08136	19.8
373.06918	10.3
375.08694	11.4
377.06570	8.6
377.10474	4.6
378.07312	2.5
379.08176	29.6
381.09723	7.7
385.08987	3.1
387.08716	3.8
391.08081	54.5
393.09879	10.2
395.07587	4.1
397.09167	2.6
401.05872	2.3
403.08057	14.5
405.09744	8.7
407.07394	4.7
409.09204	62.0
417.09753	5.7
419.07507	2.6
421.09219	19.5
421.77301	2.4
423.10931	10.2
427.10315	14.2
429.09784	3.5
433.09079	7.8
435.10666	7.5
439.10193	29.0
439.15604	3.1
441.12201	11.0
445.08792	2.9
451.10269	5.6
453.11520	3.9
457.11331	36.7
459.11584	4.4
463.10101	13.0
469.11252	8.1
471.12817	7.0
475.10297	4.8
477.11581	5.5
481.11313	48.4
487.12363	16.3
489.13834	18.1
493.11346	48.7
495.12689	7.5
501.11407	2.5
505.11142	18.9
511.12280	31.6
513.14288	11.5
523.12323	33.9
525.13770	6.5
537.13751	7.2
541.13428	45.2
543.15002	8.1
555.14801	12.5
559.14539	49.8
573.16229	16.6
577.15570	2.7
591.17310	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	609.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01940	0.5
55.01864	1.9
57.03418	0.8
62.82985	0.5
67.05502	0.9
69.03431	4.6
70.17932	0.5
70.47934	1.0
70.48270	1.0
71.04984	0.6
73.02922	0.9
74.68153	0.5
81.03419	2.6
81.07054	0.9
85.02905	9.2
87.00836	4.7
91.05476	1.2
97.02894	3.7
99.04439	1.6
105.01874	2.9
109.02865	2.5
115.03922	2.3
115.05453	0.8
117.06982	0.6
125.02338	0.6
127.03919	6.1
128.06247	1.2
129.07022	5.4
131.04944	1.0
131.08594	5.6
136.07520	1.3
137.05997	4.0
141.07001	3.7
143.04976	0.7
143.08559	1.5
144.05692	0.7
145.04932	1.9
151.03912	0.8
151.07561	2.2
157.06482	4.7
158.07271	2.2
159.02890	1.6
159.08054	4.8
160.05211	1.0
161.04488	1.5
161.05907	0.6
161.09641	0.6
163.07549	1.1
164.07130	0.8
164.08620	0.5
169.06442	2.6
170.07269	1.1
171.08063	2.0
174.05281	0.6
174.06766	12.0
174.14970	0.5
175.07559	4.4
177.09142	0.8
186.06743	2.8
187.07584	1.2
188.08313	1.1
189.09111	24.2
191.10678	1.7
201.03995	1.2
201.09100	8.5
203.10670	9.7
207.10233	0.7
219.10173	100.0
221.11745	0.8
231.05040	1.1
237.11110	0.8
247.04485	1.6
252.22157	0.5
265.05307	0.5
270.71603	0.6
271.06027	1.6
298.89792	0.7
325.14581	0.7
450.99988	0.6
622.08270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.1
53.03941	7.2
53.05789	1.0
55.01870	3.9
55.05514	17.4
57.03437	6.4
57.07088	1.6
59.05007	1.2
61.02940	1.7
65.03948	3.1
65.34861	1.0
67.05508	51.2
68.11729	0.9
69.03432	18.0
69.07068	17.9
71.01360	2.0
71.05000	6.0
71.42365	1.2
72.14063	0.9
73.02924	1.4
74.39365	0.9
74.98170	0.8
79.05497	40.5
80.59025	1.1
81.03423	52.3
81.07060	72.3
83.04988	11.9
83.08627	11.8
85.02905	7.1
85.06541	2.5
91.05486	30.4
93.07047	48.6
95.04974	9.1
95.08611	19.7
95.09165	1.6
97.02902	8.1
97.06531	8.8
97.10175	1.7
99.04475	3.9
99.08094	3.2
103.05503	1.4
105.04536	1.5
105.07033	16.3
107.04948	5.2
107.08598	23.4
109.02891	11.8
109.06539	4.4
109.10162	3.1
111.04440	7.4
111.07413	0.9
111.08079	5.0
115.05522	1.1
117.07027	10.8
117.13521	0.8
119.08581	9.2
121.02850	0.8
121.06530	4.6
121.10149	13.3
121.28030	1.1
123.04472	1.1
123.08100	1.4
123.11729	5.3
125.09632	1.1
127.03934	7.0
128.06252	1.4
129.05574	0.9
129.07047	4.0
131.04985	1.4
131.08557	12.7
133.06540	1.9
133.10143	12.9
135.08076	2.3
135.11725	7.7
137.06004	1.3
137.09671	1.1
138.42262	1.0
141.07022	1.3
143.08594	2.7
143.44987	0.9
145.04910	1.3
145.06444	1.9
145.10164	3.0
147.08073	1.5
147.11688	9.7
149.09682	1.5
149.13266	19.1
155.08556	2.1
157.10182	4.0
159.08000	1.3
159.11708	9.7
161.13268	1.1
165.12697	4.7
167.14232	1.1
169.10213	1.6
171.11681	1.6
173.04485	3.1
173.13301	1.5
175.11226	1.3
177.12733	6.4
183.11758	1.9
185.13347	1.7
193.12291	1.5
195.13823	16.9
201.12738	1.3
213.14911	3.4
215.66954	1.0
219.13934	1.7
233.15498	1.9
251.16479	1.4
257.15421	1.9
267.16055	4.9
269.17496	11.3
275.16537	1.8
293.17703	1.1
297.17133	1.1
303.15915	2.2
321.17014	5.9
339.18002	11.1
377.19559	3.9
379.26935	1.1
389.26712	0.9
395.20639	16.4
445.29550	7.7
463.30676	12.2
487.30960	1.5
529.31451	1.4
553.31500	1.1
571.32660	2.9
589.33575	4.8
607.34784	100.0
608.35315	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	607.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	1.5
53.03942	8.1
55.01861	4.4
55.05511	21.5
57.03431	7.2
57.07064	1.9
58.59600	1.4
61.02938	1.8
65.03935	3.5
67.05506	56.1
69.03432	20.2
69.07065	19.7
69.47802	10.1
71.01358	1.7
71.04986	4.8
71.14845	1.8
79.05495	40.0
81.03420	62.3
81.07057	72.8
83.04992	14.9
83.08619	12.1
85.02914	7.6
85.06548	5.8
91.05486	32.8
93.07043	47.8
95.04987	8.3
95.08607	22.2
97.02902	10.6
97.06525	8.7
97.10180	3.0
98.21490	2.2
99.04454	4.1
99.08054	2.5
105.04577	1.7
105.07024	18.0
107.04960	4.9
107.08591	23.1
109.02882	14.0
109.06531	4.7
109.10162	5.5
111.04440	7.8
111.08076	4.8
115.05471	1.6
117.07017	10.9
117.07748	1.3
119.08582	11.8
121.06512	3.1
121.10169	11.5
123.04413	2.0
123.08083	2.4
123.11703	6.9
125.06055	1.5
127.03895	7.5
129.07031	5.1
130.05328	1.7
131.08583	14.7
133.06519	2.7
133.10138	12.6
135.08072	3.4
135.11707	9.3
137.05959	3.0
141.06967	2.0
143.08571	4.9
145.06454	3.4
145.10129	3.4
147.11703	11.3
149.13235	16.8
155.08578	3.1
157.06532	2.0
157.10175	4.2
159.08057	2.1
159.11690	9.8
160.73807	1.6
165.12805	4.1
165.26001	1.6
171.08046	1.7
171.11726	2.3
173.04507	5.3
173.13274	2.0
175.07541	1.7
177.12761	6.2
183.06430	1.9
183.11876	1.6
195.13864	14.7
197.13324	2.3
213.14914	2.4
213.37859	1.6
222.22571	1.6
233.15340	3.2
267.15955	4.4
269.17542	11.3
271.16959	1.7
285.14661	2.8
287.16403	3.0
303.15985	4.5
321.16953	5.2
339.18137	9.5
353.24881	3.3
368.05331	1.7
377.19366	2.4
395.20453	14.8
445.29544	14.0
463.30667	15.2
487.30823	2.3
571.32635	4.8
589.34100	7.1
607.34888	100.0
639.18121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2914
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
62.41157	0.1
64.57636	0.1
66.45902	0.1
70.80884	0.3
70.81259	0.2
76.15528	0.1
86.55823	0.1
90.51562	0.1
135.03535	0.1
166.90878	0.1
209.10654	0.2
213.02303	0.2
221.10699	0.2
237.13780	0.2
298.13318	0.2
300.14819	0.2
311.45306	0.1
314.16434	0.2
323.14014	0.1
375.16324	0.2
387.16269	0.3
388.16821	0.5
389.17374	1.0
390.18491	0.2
401.17847	0.5
402.18454	0.9
403.19266	2.5
404.19907	0.9
405.20834	1.5
415.19693	0.7
416.15317	0.2
416.20502	0.8
417.16519	1.0
417.21472	3.2
418.21814	1.9
419.22385	3.1
421.23987	0.2
429.16449	0.2
429.21411	0.3
430.17703	0.6
430.21844	0.6
431.18228	7.4
432.18741	1.6
433.24084	7.1
434.25018	1.0
443.18558	0.4
444.19434	0.4
444.24176	0.2
445.19788	8.2
446.20770	3.7
447.21671	3.9
449.23380	0.3
457.20169	0.2
458.21158	0.4
459.21478	3.8
460.22565	7.9
461.23380	9.8
462.20053	0.3
473.23712	2.4
474.24182	0.8
475.21051	0.2
476.22073	0.2
477.22836	0.7
486.20840	0.2
487.24948	1.2
488.25803	0.4
489.22720	0.5
491.20221	0.2
491.24371	0.5
492.25458	0.7
504.25168	0.3
505.21741	2.3
506.26691	0.5
515.24530	0.5
517.22791	0.2
518.23260	0.4
519.24158	1.4
519.26819	1.2
532.24762	0.4
533.25311	0.5
546.22766	0.2
547.27057	25.1
548.27557	0.4
552.99011	0.1
575.26404	1.0
578.25336	0.4
579.29553	0.6
592.26410	0.2
607.29132	100.0
608.29370	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2913
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
52.38633	0.4
53.56913	0.3
66.78220	0.3
69.24857	2.9
70.38423	0.4
70.52752	0.3
84.91125	0.3
88.41184	0.3
95.07146	0.3
98.21451	0.6
222.40428	0.3
324.76694	0.3
388.16800	0.5
389.17847	1.4
401.17676	0.7
402.18192	0.7
403.19089	4.1
404.19965	0.8
405.20804	1.4
415.19333	0.7
416.15344	0.4
416.20248	1.3
417.16296	0.8
417.21274	4.0
418.21893	2.6
419.22244	2.9
430.17221	0.7
430.22064	0.6
431.18054	7.7
431.23587	0.8
432.18793	1.8
433.24020	10.1
434.24539	1.1
444.19110	0.8
445.19803	11.0
446.20721	4.4
447.21671	4.8
459.21292	4.8
460.22589	12.7
461.23367	14.9
473.23660	4.0
474.24115	1.5
477.22949	0.7
487.25443	2.0
489.23080	0.5
491.25296	0.8
492.25128	1.1
505.21667	2.2
506.26926	0.8
515.24280	1.0
518.23199	0.5
519.28369	2.3
532.24506	0.9
533.25922	0.4
547.27063	52.0
548.27350	0.8
575.26587	1.2
579.29773	0.9
607.29156	100.0
608.29767	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
70.71780	0.5
107.08650	0.2
110.65530	0.2
117.23280	0.2
122.18317	0.2
123.65276	0.2
136.00166	0.2
156.96948	0.2
204.06644	0.2
209.10735	0.3
221.10832	0.3
224.66502	0.2
245.53795	0.2
248.08871	0.2
300.15057	0.2
312.15363	0.2
312.48901	0.2
315.13306	0.2
338.16739	0.2
373.14331	0.2
374.15320	0.6
375.16165	0.6
376.17245	0.2
386.16388	0.2
387.16089	0.3
388.17062	0.8
389.17679	2.9
390.18707	1.1
391.19269	1.0
401.17776	0.8
402.14120	0.3
402.18558	0.8
403.15457	0.6
403.19586	3.6
404.20135	1.4
405.20813	3.0
407.22647	0.2
413.17514	0.2
415.15054	0.4
415.19751	0.3
416.15543	1.0
416.21057	0.4
417.16348	4.4
417.21240	1.6
418.17657	0.8
418.22626	1.1
419.22433	5.5
420.23224	0.8
429.17249	0.4
430.17944	0.7
430.22409	0.4
431.18304	7.7
432.19244	2.8
433.20135	3.6
435.21686	0.3
443.18716	0.4
444.19547	0.5
445.20288	5.0
445.25604	0.3
446.21072	7.4
447.21808	8.3
448.22726	0.6
458.21472	0.3
459.17969	1.3
459.22394	1.0
460.18835	0.8
460.23608	0.3
461.19540	1.6
462.24472	0.4
463.20288	0.4
463.25830	0.5
473.19778	1.0
473.24701	0.3
474.20404	4.7
475.21094	4.2
476.22061	0.4
477.23438	0.9
478.23975	0.9
487.21472	1.6
488.21765	0.4
490.23611	0.6
491.20117	2.9
501.23071	1.0
503.25366	0.3
505.22314	0.9
506.23071	0.7
519.24115	18.9
520.24377	0.5
529.22510	0.4
532.20642	0.3
536.24683	0.3
547.23401	13.6
548.23462	0.4
551.26575	0.6
561.25043	0.3
575.22821	0.2
579.26013	6.2
589.24701	0.4
607.25525	100.0
608.25867	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	607.2555
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.05506	1.2
56.25155	0.5
57.07069	0.6
60.35388	0.5
67.05501	1.9
69.07068	1.3
69.51238	1.6
69.51646	2.1
79.05499	2.2
81.07063	3.5
91.05482	2.4
93.07063	1.9
95.08576	1.3
95.68272	0.5
102.59389	0.5
105.07056	2.9
107.04992	0.5
107.08600	1.7
109.10216	0.6
117.07027	0.8
119.08583	0.9
120.32191	0.5
126.04678	0.5
131.08601	1.5
133.10155	1.5
145.10167	0.8
145.58864	0.6
157.10109	0.9
159.11766	0.9
181.10222	0.6
193.34578	0.5
206.83640	0.5
219.17474	0.9
272.11893	0.6
275.20056	1.8
315.23358	0.7
326.16510	0.6
387.16431	0.7
388.16913	1.3
389.17557	3.1
390.18494	1.2
391.19260	1.0
401.18512	0.7
402.18689	1.3
403.14658	0.7
403.19705	4.0
404.20322	1.9
405.21146	2.6
416.16269	1.4
417.17120	3.8
417.21097	3.1
418.17270	1.1
418.22122	1.3
419.22440	8.0
420.23135	0.7
430.18118	1.2
431.18362	8.3
432.19214	2.7
433.20120	2.5
445.20135	6.2
446.21072	6.9
447.21817	10.3
447.27649	0.7
457.20190	0.7
459.17380	1.3
459.22723	1.1
461.19681	1.1
463.25430	0.8
473.19574	0.9
474.20465	10.7
475.21313	11.7
487.21405	2.1
488.21970	0.9
490.23682	1.7
491.20206	0.9
501.23053	1.6
505.22311	0.9
519.24066	11.5
529.22565	0.7
532.20807	0.9
547.23425	63.3
548.24292	1.1
561.25281	0.7
579.26001	3.5
589.24127	0.9
607.25543	100.0
607.43323	3.8
608.25800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01862	2.7
57.03439	2.0
59.04989	1.4
69.69952	7.8
70.06591	1.6
73.02921	1.4
81.03405	2.3
85.02907	6.4
86.09686	1.5
91.05484	2.8
93.03391	1.2
93.07045	2.2
95.04955	1.6
95.08543	1.3
97.02905	1.2
98.20805	1.7
103.05467	1.2
107.04961	1.8
109.02871	2.9
119.04951	2.5
121.02872	4.6
121.06504	2.1
123.04423	1.7
133.06490	1.4
133.08685	1.3
135.04381	1.9
136.07639	1.6
137.02312	2.2
137.05972	3.3
143.33989	1.3
145.02817	2.4
149.05978	10.2
151.03920	28.3
151.05045	1.9
161.02258	1.2
161.06029	1.7
165.01823	2.3
171.04434	1.5
175.03882	4.5
176.01018	1.3
177.01793	5.3
177.05516	2.2
179.03368	3.1
187.03905	1.7
189.01833	11.8
191.03426	2.6
194.18892	1.3
195.02913	5.5
199.03911	2.3
199.80727	1.3
201.01814	2.7
201.05502	3.6
203.03416	9.3
205.04906	2.3
207.02896	9.4
215.03371	2.1
217.04936	5.9
219.02875	4.6
221.04414	2.1
225.04027	1.9
227.03477	2.5
227.91402	1.3
229.04918	3.7
231.02881	3.0
233.04465	2.3
243.02936	1.4
245.04489	1.8
247.02278	3.1
249.03848	1.4
255.02898	6.0
257.04578	2.6
273.03934	2.2
282.05273	2.3
283.05966	2.0
294.05212	3.4
295.05991	13.1
296.06757	3.2
297.07523	2.6
298.04694	3.7
298.08310	5.2
307.06134	1.7
308.06714	5.0
309.04034	2.8
309.07642	4.2
310.04797	12.3
310.08359	2.4
311.05688	2.3
311.09067	1.4
312.06149	5.9
313.07050	21.1
314.07840	2.6
319.06152	1.7
320.06845	1.8
321.07587	3.7
322.04691	13.2
322.08374	2.8
323.05487	6.0
323.09180	2.9
324.06317	17.3
324.09778	1.3
325.07086	100.0
326.07813	6.7
327.08646	18.8
328.05646	1.5
328.09332	2.0
333.07614	2.2
334.04651	2.1
334.08322	2.2
335.05453	2.9
336.06271	13.1
337.07068	58.5
337.11026	3.4
338.07840	12.7
339.05188	2.1
339.08673	16.1
340.05780	5.4
342.07315	4.9
343.08112	4.0
344.06973	1.4
347.05054	2.0
347.09137	1.4
348.06177	3.6
349.06940	6.4
350.07910	9.0
351.04950	3.5
351.08670	29.8
352.05637	5.2
352.09415	6.7
353.06580	22.4
353.10315	2.3
354.07220	2.9
355.08115	65.2
355.11667	4.0
356.08945	6.0
360.06287	2.8
361.06937	3.0
362.07922	4.0
363.08609	5.7
364.05688	3.0
365.06332	6.1
365.10196	22.5
366.07358	8.0
367.08136	35.3
369.09903	2.0
375.04724	3.9
375.08881	3.0
376.05557	3.2
377.06323	3.1
377.10452	7.1
378.07376	2.8
379.08130	30.6
380.08902	5.0
381.09814	10.9
383.07550	13.6
385.09140	2.4
387.08398	1.8
389.06369	2.4
390.07376	3.1
391.08200	17.5
393.09726	18.3
395.07550	4.5
395.11774	3.0
397.09006	4.0
403.08130	9.2
404.09186	1.5
405.09610	5.6
407.07584	16.7
408.08429	3.2
409.09201	21.5
411.10663	2.3
415.07895	3.1
419.07184	2.9
420.08160	1.4
421.09222	46.6
421.14810	3.0
423.10690	5.5
425.08267	2.0
431.07254	2.5
433.09079	14.7
437.08609	9.0
439.10315	42.7
445.10565	2.5
447.10760	1.7
449.08466	10.3
451.10150	15.4
457.11288	28.4
459.10797	1.8
461.12769	1.5
467.09985	6.1
469.11380	26.3
475.09924	1.6
479.13361	1.6
481.10895	2.3
485.10773	4.3
486.11572	2.4
487.12396	47.7
489.11575	1.7
491.09021	2.1
493.11304	10.9
505.11166	7.2
507.12543	1.8
511.12399	61.2
517.11279	4.9
523.12421	19.0
535.12286	16.5
541.13513	25.2
553.13531	30.7
571.14514	49.8
589.15576	31.9
607.15790	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	605.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23708	0.1
57.07083	0.4
57.65107	0.2
67.05492	0.3
69.07079	0.2
69.80244	0.9
70.63960	0.2
71.08634	0.6
81.07039	0.2
85.10191	0.4
89.06048	0.4
91.05466	0.2
105.07037	0.2
120.05205	0.2
123.44408	0.2
133.08589	0.2
139.30048	0.2
153.15779	0.2
176.92424	0.2
253.11951	0.2
262.85818	0.2
292.19193	0.3
293.19284	0.2
307.33514	0.2
315.51328	0.2
349.18509	0.2
407.16116	0.2
407.22617	0.2
422.65555	0.2
465.65924	0.2
599.03320	0.2
605.42358	100.0
606.42773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03446	0.4
66.82211	0.2
67.05496	0.4
69.03424	1.0
69.07072	0.4
70.06577	0.6
70.25123	0.6
70.25488	0.5
70.85666	0.2
71.04984	0.2
72.04521	2.0
72.08129	0.3
73.02901	0.4
81.03436	1.4
81.07066	0.4
85.02922	1.6
87.00830	0.9
87.04470	1.7
87.17907	0.2
89.06000	0.7
91.05467	0.5
93.07064	0.2
97.02917	0.6
98.97600	0.4
99.04449	0.3
103.05449	0.4
104.99729	0.2
105.07019	0.5
109.02869	0.7
117.07005	0.3
119.08569	0.3
127.03940	1.3
131.04890	0.4
133.08583	0.3
137.05962	0.9
141.05449	0.5
143.07111	0.2
145.04958	0.4
147.04361	0.3
151.07578	0.4
162.06758	0.3
164.06975	0.4
177.16269	0.2
181.06639	0.3
188.08470	0.3
194.07196	0.2
195.08107	1.0
197.05954	0.3
205.06650	0.3
206.07266	0.4
207.06483	0.3
207.08206	0.3
209.05896	0.4
209.09589	0.9
210.10448	1.1
211.07515	1.7
212.08333	0.6
213.08867	0.3
219.08217	0.3
219.18547	0.2
221.09581	0.6
222.10405	1.2
223.07524	1.3
224.08328	0.4
225.09160	0.3
226.09962	1.0
227.10779	0.6
235.07634	1.1
236.08252	0.3
237.09123	2.8
238.09932	4.0
239.07079	0.7
239.10762	1.0
240.07794	0.5
241.08487	1.3
241.12198	1.3
242.09430	0.3
249.09106	1.3
250.09917	3.7
251.07054	0.8
251.10664	0.7
252.07823	0.5
253.08696	0.7
253.12222	1.4
254.09407	2.0
255.10156	5.6
256.07404	0.3
256.10913	1.2
265.12357	0.3
266.09424	2.3
267.10178	4.9
267.12817	0.5
268.10962	0.4
269.08182	1.4
269.11746	7.5
270.09195	0.5
270.12503	5.4
270.15442	0.3
271.09656	2.7
272.10352	0.6
281.11728	10.5
282.12552	7.8
283.09641	2.2
283.12381	0.4
284.10370	2.7
284.12723	0.3
285.11215	0.9
286.12018	2.7
287.12823	0.3
294.11090	0.3
298.11856	4.1
298.14465	0.5
301.14499	0.6
308.12976	0.3
313.14383	3.4
315.14502	0.3
321.45187	0.2
325.10611	0.4
330.17007	18.9
340.13055	0.9
343.06320	0.4
358.16498	100.0
359.16812	0.8
399.19031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	0.2
59.04975	0.2
59.46306	0.2
67.05505	0.3
71.56837	0.2
81.07047	0.3
84.35518	0.2
85.10210	0.2
89.06013	0.3
95.08626	0.2
102.18913	0.2
105.07102	0.3
107.08561	0.2
206.51730	0.2
258.99057	0.2
274.95944	0.2
605.42334	100.0
606.42596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.08168	0.5
57.07079	0.8
67.05511	1.2
69.07072	0.6
71.08648	0.7
71.48690	0.9
79.05502	0.5
81.07052	1.1
86.10555	0.5
91.05463	0.5
93.07024	1.0
95.08598	0.7
101.12197	0.4
111.23759	0.5
275.20288	0.7
327.02271	0.6
339.00415	0.5
349.23813	0.5
401.17752	1.1
414.18475	1.6
415.19244	4.1
416.20258	1.6
417.20914	0.6
427.19675	0.5
428.20316	0.9
429.20816	7.7
430.21667	3.6
431.22519	1.3
433.24121	0.6
442.22195	0.6
443.22891	2.7
444.23483	7.0
445.24341	4.0
457.19962	1.4
458.25824	2.3
459.21436	2.1
459.26001	2.0
471.22098	0.9
472.22537	2.5
473.23645	4.4
474.24179	1.9
476.22375	1.1
485.23459	2.8
486.24500	0.9
487.25012	19.5
488.25626	1.7
489.22830	0.8
503.24304	1.7
513.23132	0.6
517.26617	2.4
518.23462	0.6
531.23999	0.7
532.24915	0.6
545.25525	15.6
546.26483	3.3
573.25012	1.8
605.27618	100.0
606.28064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01963	0.5
55.05367	0.4
55.05604	0.6
65.04125	0.5
67.05322	0.9
67.05691	1.0
68.04832	1.2
68.05231	1.1
69.03281	0.6
69.03587	0.7
69.06912	0.6
69.07243	0.6
70.06405	1.0
70.06801	0.8
71.05190	0.5
71.56827	0.7
79.05316	0.6
79.05702	0.5
80.07158	0.4
81.03228	0.9
81.03644	0.6
81.06847	0.9
81.07341	0.9
82.00661	0.4
82.06377	0.9
82.06836	0.9
83.04821	0.4
83.05265	0.4
84.07964	0.6
84.08399	0.4
85.02676	1.2
85.03220	1.0
91.05242	1.4
93.06837	0.9
93.07343	0.5
94.06376	0.8
94.06901	0.6
95.05883	0.6
95.08427	0.8
95.08933	0.6
96.92131	0.4
97.02722	0.7
97.06355	0.4
97.07486	0.5
103.05262	0.6
105.06811	1.0
105.07440	0.8
107.08407	0.6
109.02650	1.0
109.03309	0.5
109.09949	0.7
109.10604	0.6
117.06808	0.7
119.04720	0.5
119.08372	0.9
121.06282	0.5
121.09934	0.8
121.10707	0.6
123.04166	0.6
127.03712	0.9
129.06750	0.7
131.04698	1.0
131.08266	3.2
133.09845	1.1
137.05698	2.1
144.05435	0.6
145.06233	1.2
145.09879	0.8
147.04178	0.5
147.11476	0.4
149.05688	1.5
149.09198	0.4
150.96074	0.4
156.07916	1.0
157.09792	0.5
159.07730	3.0
161.05727	0.6
161.09360	0.5
162.05287	1.0
163.07283	1.2
164.06743	1.5
175.07341	1.2
177.08781	1.9
184.07198	1.8
190.08295	0.6
191.49261	0.4
200.06812	1.1
201.07773	2.8
202.08310	16.2
202.10316	1.0
214.08307	3.7
215.09082	3.2
216.10077	0.5
221.09422	0.6
223.07301	0.4
224.07982	1.5
225.08818	0.8
226.09656	0.9
228.09892	1.6
230.11787	29.9
230.13884	1.7
232.13351	2.4
235.07581	0.5
238.09604	1.0
239.10316	1.5
240.07735	0.9
241.08430	0.9
250.09772	0.6
251.10526	0.7
253.08296	1.3
253.11989	0.7
254.09105	1.3
255.06142	0.5
255.10165	4.3
256.00055	0.7
265.11938	1.0
266.09134	0.9
266.93893	0.5
267.09784	1.7
268.10947	4.0
269.07755	1.1
269.11392	1.5
270.12433	0.8
271.09415	0.8
279.09741	1.4
280.10501	0.6
281.11841	2.3
282.12076	1.2
283.09546	1.0
283.12616	0.5
284.10468	3.0
284.13058	0.7
285.11127	3.0
286.11536	0.5
293.11224	0.5
294.12106	1.8
296.13684	1.6
297.11017	0.7
298.11661	1.8
299.12808	4.9
300.13138	0.5
310.11639	1.1
311.12430	1.2
313.14154	1.0
322.14001	0.9
325.14133	1.2
328.15286	0.6
334.14185	0.6
350.13498	0.7
357.22339	0.7
364.15320	0.6
365.18677	0.6
366.16705	1.0
368.18155	0.6
370.20209	2.3
381.18253	1.0
382.20053	0.9
393.17905	1.0
395.19748	2.3
397.21002	1.0
409.21167	2.6
435.42111	0.4
467.81271	0.5
511.22153	3.5
529.23370	10.4
530.25128	0.6
543.24860	0.8
557.26526	3.3
564.14630	0.6
573.29651	57.7
574.29993	0.9
605.32300	100.0
606.32660	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
51.09650	0.2
51.37634	0.2
52.69643	0.3
53.03942	1.0
55.01868	0.7
57.03432	0.6
58.93050	0.2
59.79177	0.2
61.02903	0.5
62.85150	0.2
65.03948	0.5
67.05513	0.9
68.99796	1.6
69.03437	3.0
69.07075	0.8
71.05000	0.4
71.56999	0.3
73.02898	0.6
79.05493	1.9
80.42014	0.3
81.03423	3.2
81.07053	0.6
83.01348	0.6
85.02919	4.5
85.06548	0.2
87.00848	1.6
91.05500	1.4
93.07081	0.4
93.11056	0.2
95.04961	1.7
97.02911	1.7
99.04471	1.2
103.03951	0.4
103.05487	2.1
105.01867	1.3
105.03410	0.3
105.07030	0.8
107.04929	1.3
109.02902	2.5
109.10219	0.3
111.00809	1.0
114.83996	0.2
116.20039	0.3
117.01884	0.5
119.04914	0.6
119.08561	0.3
121.06527	2.8
123.04423	2.1
125.06002	0.4
127.03070	0.4
127.03929	4.1
128.06297	0.3
129.01846	0.5
131.04947	2.5
133.10146	0.3
135.04424	18.0
137.05978	4.7
139.03917	1.0
141.05469	6.0
141.06615	0.4
141.07051	0.4
145.04976	1.3
147.04436	3.1
149.06001	3.4
151.03955	1.2
153.05476	48.6
158.07115	0.3
159.02933	1.6
159.04410	10.7
159.08081	0.3
161.05997	3.2
163.03908	1.3
164.04652	0.3
165.05510	3.9
167.03468	0.4
169.06491	0.3
171.08073	0.3
173.06036	0.7
174.06786	0.5
175.03934	2.0
177.05499	3.2
177.06935	0.4
178.06264	8.9
178.07805	0.5
183.08051	0.6
184.05238	0.2
185.06073	0.4
187.07527	0.9
189.05490	0.5
189.09108	1.9
191.07083	0.8
191.10686	8.8
193.04968	1.1
195.06573	1.2
195.08095	0.3
197.05981	0.8
198.06749	0.3
199.07523	0.8
201.05486	0.8
201.09137	0.9
203.06859	0.4
211.07529	0.7
213.05534	0.8
213.08990	0.3
214.06331	0.6
215.07069	3.7
215.10616	2.0
217.08580	0.5
219.06570	0.8
225.05522	0.7
225.09210	0.9
227.07130	0.5
228.07819	1.3
229.08662	1.5
231.04980	0.4
238.06277	0.8
239.07039	0.9
240.07863	0.5
241.04895	0.5
242.05690	0.4
243.06490	0.5
243.10210	1.0
245.08231	0.3
250.06114	0.3
251.07091	0.8
253.08739	1.6
255.06599	0.6
256.07416	2.5
257.08005	1.3
266.05817	0.7
267.06555	1.8
268.07242	1.2
269.04498	1.3
269.07947	0.6
271.09683	4.0
281.08105	1.9
282.08853	0.9
283.06046	1.1
284.06802	5.5
296.07715	0.3
297.07727	0.9
299.09161	100.0
300.09561	1.0
311.09277	0.3
313.10690	0.3
323.09213	1.7
341.10294	2.6
353.13803	1.1
355.15427	23.7
356.15948	0.4
365.09433	0.9
379.15466	0.5
383.09818	0.7
389.09689	0.3
391.07086	0.4
397.16531	1.5
401.10928	2.0
407.11209	1.1
421.16388	0.3
463.17490	0.3
511.12195	0.8
517.10455	0.4
529.13257	0.5
547.14459	0.7
565.74500	0.3
567.18738	0.6
603.20679	1.3
627.53809	0.3
634.97375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98902	0.8
55.05498	2.9
57.07074	4.8
58.06609	1.1
59.04993	1.0
63.70338	0.8
65.03959	1.1
65.20629	0.8
67.05489	1.4
69.03415	1.9
69.07069	7.0
70.06592	17.8
71.08624	2.6
71.56685	0.9
72.80341	0.8
73.02895	1.5
77.84445	0.9
79.05481	2.1
81.03409	2.4
81.07056	2.9
83.08617	3.7
85.02908	4.8
88.07632	18.6
89.06039	3.7
91.05466	1.8
93.07022	1.2
95.08610	2.4
97.02881	1.0
97.10144	1.6
99.98060	0.9
102.09180	13.1
107.08627	1.5
109.02888	1.4
109.10177	2.1
119.08605	1.5
127.03929	2.7
133.08606	2.6
136.46117	0.8
137.05995	1.4
145.04990	1.0
149.02351	27.4
149.03369	1.1
156.17487	1.6
175.03966	1.5
177.05484	1.8
177.11269	1.3
193.04970	38.2
200.20096	42.3
237.07568	9.6
244.22791	1.3
297.03970	1.7
313.07092	1.8
341.06586	7.4
359.07495	5.5
385.09192	16.4
388.96893	1.0
429.11832	22.6
437.10541	0.8
584.28741	2.1
601.86127	1.4
602.29590	100.0
603.29523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	17.2
67.05502	2.4
69.07058	3.6
71.08636	33.9
71.56527	1.8
71.56920	1.8
73.06562	7.3
77.29095	1.1
79.05468	1.6
81.07037	3.0
83.08615	2.4
85.02901	2.2
85.10189	21.0
87.04475	9.1
89.06036	100.0
89.70854	1.3
91.05444	2.2
101.00821	1.4
102.37027	1.3
105.07058	1.9
109.10150	1.6
117.09125	7.6
121.10179	1.8
127.14819	2.9
130.08621	1.8
131.07069	2.5
133.08615	51.5
161.11726	1.8
163.03885	2.6
171.17448	6.0
177.11243	20.8
181.04910	1.8
204.58012	1.5
212.19987	1.5
215.20078	11.7
221.13831	6.1
223.15443	1.4
233.95425	1.2
259.22757	7.5
265.16425	2.0
283.17603	1.9
340.60803	1.9
459.27856	3.6
550.14124	1.4
585.42157	8.5
593.64185	1.7
602.45453	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	601.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	5.2
57.03430	2.8
57.07080	100.0
58.04220	7.9
59.05005	30.7
59.76148	1.3
61.02915	1.4
67.05518	8.8
68.06274	1.5
69.07051	6.3
69.21915	12.5
71.04992	2.4
71.08640	76.6
72.05783	14.6
73.02920	7.5
73.06215	1.7
73.06559	16.3
73.51542	1.3
79.05487	2.1
81.07052	7.0
82.07842	2.8
83.08601	3.5
85.06531	1.8
85.10188	67.4
87.04469	21.3
87.08090	1.7
88.05246	2.8
89.06034	21.8
90.01922	49.8
91.05460	3.3
93.07037	2.9
95.08617	8.9
96.09383	1.8
97.10141	5.3
99.11755	10.0
101.05998	3.0
102.05561	2.2
103.07581	15.3
105.07031	4.4
107.07112	1.2
107.08588	2.5
109.10164	4.8
110.10936	1.3
111.08119	1.2
111.11711	1.7
113.13266	3.1
116.08326	4.3
117.09131	11.5
119.08569	3.8
121.10134	2.7
123.11660	2.0
129.32050	1.3
131.07043	2.8
131.08591	1.3
133.08604	12.4
133.10144	2.6
135.11687	1.7
141.16360	2.8
145.10109	3.3
147.10126	3.2
149.11804	1.6
151.47498	1.2
152.15625	3.4
155.17955	6.9
157.10089	1.9
159.10252	1.7
159.11580	1.7
161.11693	4.5
163.09618	1.3
165.11229	3.8
175.09703	1.8
177.11261	6.2
177.12596	1.5
178.07108	5.7
179.12747	3.8
180.12274	1.9
183.17441	3.4
194.13879	2.0
197.13303	1.6
199.20461	1.5
201.12880	1.5
208.15462	4.1
209.13779	1.5
212.21358	2.6
213.22139	8.8
221.15442	3.1
222.09750	14.3
222.17145	2.9
223.15373	2.3
224.06418	1.3
224.14862	2.3
239.14882	1.5
241.15323	1.3
252.18016	3.9
257.24750	3.2
266.12329	4.6
266.19504	6.7
267.18127	3.7
268.17459	2.7
282.19156	3.1
285.17969	2.3
296.20648	6.6
312.20242	6.3
318.30246	2.1
324.23663	2.1
340.23492	2.0
347.88867	1.3
362.32733	5.9
372.18719	9.0
406.35071	1.5
450.37952	21.0
466.37735	2.7
489.35583	3.6
494.40302	3.2
510.39893	4.0
601.33685	2.6
601.43445	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	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.3
55.05513	20.9
57.07072	27.6
59.04999	6.0
65.03920	4.5
67.05511	38.4
69.03439	19.4
69.07072	24.9
69.91228	13.0
71.04994	3.7
71.08639	15.2
79.05495	34.8
81.07065	51.7
83.04990	23.2
83.08620	16.5
85.02924	2.6
85.06527	7.2
85.10185	13.1
86.10575	2.3
87.04458	9.5
89.06044	28.5
90.06346	2.9
91.05487	62.1
93.06481	4.2
93.07055	80.2
95.04974	25.2
95.08614	42.5
97.06541	16.0
97.10175	2.9
101.74063	2.7
103.05443	5.6
105.04514	4.6
105.07038	100.0
106.07312	3.8
107.08605	76.9
109.06538	15.5
109.10172	30.6
111.08075	6.6
113.09674	4.4
115.05457	6.7
117.07031	21.3
119.08588	93.0
121.06503	13.8
121.09325	5.1
121.10156	86.3
123.08086	14.0
123.11701	9.1
125.05983	3.0
125.09623	16.7
128.06216	15.0
129.07050	22.1
130.07738	10.1
131.08580	44.9
132.09251	3.0
133.06488	3.6
133.07729	4.0
133.08632	24.3
133.10138	62.4
134.10556	2.6
135.08072	17.8
135.11700	23.2
137.09604	8.7
139.11172	6.8
141.06953	10.4
142.07768	23.3
143.08572	45.8
144.09311	10.3
145.06485	5.7
145.10138	74.2
146.07291	2.7
146.10507	4.4
147.08054	13.0
147.11703	22.6
149.09647	23.3
149.13280	5.1
151.07523	6.8
151.11201	6.9
153.06992	4.7
154.07799	2.9
155.08592	18.1
155.10629	6.1
156.09384	22.1
157.10141	57.7
158.10677	4.7
159.08029	14.6
159.11702	37.9
160.08418	2.4
161.09630	17.8
161.13260	10.8
163.11163	13.9
165.06987	7.1
165.09090	9.9
166.07608	2.8
167.08517	8.2
167.10693	67.9
168.09303	5.4
169.10144	31.8
170.10838	10.4
171.11702	35.8
172.12277	4.4
173.09622	9.6
173.13281	27.0
175.11151	13.2
175.14828	18.2
177.11220	10.2
178.07442	2.1
179.08530	12.8
180.09329	6.9
181.10129	17.1
181.12250	4.0
182.10884	11.2
183.11682	27.7
184.12274	5.7
185.09680	3.0
185.13303	17.5
187.11105	7.7
187.14822	15.1
189.12724	8.1
191.08530	3.3
191.14241	6.7
192.09317	3.9
193.10139	14.4
194.10910	13.8
195.11723	21.5
196.12289	7.5
197.09624	4.8
197.13246	26.8
198.13808	3.6
199.11201	8.0
199.14824	16.6
201.12726	5.9
201.16370	6.9
203.14246	7.8
205.10338	5.3
206.10840	7.3
207.11761	15.3
207.13641	3.9
208.12442	7.3
209.13298	25.4
209.15175	5.0
210.13751	5.7
211.11261	3.0
211.14905	13.9
212.15466	2.8
213.12738	4.2
213.16399	6.8
215.14282	8.9
216.14827	3.1
217.10120	4.1
217.15947	5.3
218.10857	4.2
219.11597	4.4
220.12451	4.2
221.13277	16.6
221.15382	22.9
222.13895	5.4
223.14806	17.1
224.15479	3.3
225.12827	5.1
225.16365	7.9
227.14322	5.0
227.18048	3.6
229.15767	3.7
231.11786	3.1
231.17345	3.0
232.12599	2.5
233.13145	6.3
233.15367	27.7
234.13875	4.3
234.16020	3.3
235.14877	12.3
237.16397	10.6
238.16843	5.2
239.14345	5.0
239.17946	4.5
241.16138	3.6
245.13129	3.9
246.14006	4.5
247.14790	8.9
247.17032	2.8
248.15118	3.6
249.16283	7.5
251.18066	5.1
255.17491	6.8
258.14063	2.8
259.14767	6.2
261.16431	7.2
263.17947	5.3
265.19537	6.6
267.17548	3.8
269.19125	13.8
271.20425	3.7
273.16254	3.6
273.18774	2.9
275.17899	3.5
277.19580	4.2
281.19019	4.1
283.20529	7.5
285.15970	3.4
287.17599	3.9
287.20331	3.8
289.19373	3.8
299.20065	7.2
301.21725	4.2
303.21115	3.7
317.22452	4.8
331.24246	3.6
347.23807	3.6
351.22980	3.2
361.25177	5.0
367.25952	3.2
372.23007	2.7
377.24701	2.9
401.28491	2.7
444.86920	2.7
474.17084	2.4
491.34729	4.6
565.40393	8.6
583.41486	11.9
601.36597	16.2
601.43481	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	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16736	1.7
53.03946	5.6
55.01854	2.5
55.05510	19.2
57.07066	9.3
59.04985	4.8
65.03935	5.8
66.64063	1.6
67.05506	31.3
69.03427	16.5
69.07068	24.0
69.24302	17.7
71.04995	3.2
71.08618	4.1
79.05492	38.0
81.07061	42.9
83.04986	18.8
83.08617	16.4
85.06524	6.7
85.10142	2.1
87.04465	3.4
89.06011	3.4
91.05487	59.8
92.05808	2.4
93.06476	4.1
93.07050	72.3
95.04972	24.1
95.08615	39.9
96.08920	2.7
97.06520	13.5
103.05453	4.5
105.04517	2.8
105.07034	100.0
106.07343	4.9
107.04945	4.4
107.08597	73.4
108.08932	2.9
109.06511	15.6
109.10166	30.4
111.08047	5.8
113.09643	4.2
115.05472	8.8
117.07018	21.4
119.08589	96.2
120.08923	5.6
121.06488	12.5
121.10149	80.6
122.10497	3.6
123.08082	17.9
123.11711	11.6
125.05997	5.2
125.09628	15.2
128.06209	14.4
129.07028	20.7
130.07794	9.4
131.08572	44.5
132.08968	5.4
133.06485	7.3
133.07513	1.9
133.10139	57.5
135.08066	16.8
135.11673	23.2
137.09639	12.4
139.11189	5.5
141.06996	13.9
142.07793	26.0
143.08574	42.8
144.09383	12.7
145.06503	2.4
145.10132	68.4
146.07217	3.0
146.10481	4.8
147.08060	21.3
147.11699	24.9
148.08408	2.8
149.09636	19.8
149.13269	4.5
151.07568	10.1
151.11172	3.2
153.07005	4.6
153.09096	2.8
154.07791	4.6
155.08568	19.5
155.10655	7.1
156.09372	18.8
157.10126	61.8
158.10576	9.6
159.08081	17.9
159.11700	42.0
160.08516	2.8
160.12083	2.9
161.09659	19.0
161.13225	8.9
163.11256	12.6
165.06990	4.4
165.09120	28.7
166.07800	4.0
166.09477	2.1
167.08588	10.7
167.10681	46.6
168.09317	5.5
169.10147	29.6
170.10861	10.7
171.08000	2.3
171.11702	34.6
172.08925	2.4
172.12230	5.4
173.09651	6.8
173.13275	25.9
174.13687	2.5
175.11177	13.0
175.14799	14.8
175.37691	1.8
177.12778	3.5
178.07735	2.0
179.08592	11.4
180.09328	5.4
181.10135	19.4
181.12221	11.4
182.10832	7.4
183.08028	1.9
183.11687	28.8
184.12265	6.1
185.09653	3.5
185.13264	23.9
186.13750	2.1
187.11195	5.7
187.14807	8.9
189.12730	9.8
191.08612	2.6
191.14272	8.1
192.09311	2.3
193.10132	15.5
193.12090	3.2
194.10854	7.5
195.11731	22.6
196.12375	9.2
197.13268	28.2
198.13829	3.2
199.11133	5.5
199.14857	13.1
200.15376	2.1
201.12729	5.9
201.16380	4.8
203.14354	11.5
204.09422	2.1
204.14803	2.2
205.10136	3.3
205.16010	2.2
206.10854	7.8
207.11685	14.0
207.13716	5.1
208.12331	8.9
208.14244	3.3
209.13315	24.7
209.15181	3.7
210.13857	5.8
211.11337	2.7
211.14867	17.1
212.11865	2.6
212.15442	2.3
213.12735	4.1
213.16464	4.8
214.13463	2.8
215.14297	8.4
217.15887	6.3
218.10800	2.8
219.11691	6.5
219.13736	2.5
220.12476	5.1
221.13234	13.7
221.15379	57.6
222.13826	5.0
222.15758	6.8
223.14793	18.5
224.15472	4.6
225.12714	4.4
225.16371	11.3
227.14302	4.3
229.12222	2.2
229.15694	2.7
231.11687	4.9
231.17241	2.0
232.12419	2.6
233.13240	7.7
233.15379	21.8
234.13957	2.9
234.16066	3.8
235.14841	12.1
235.16875	2.8
236.15373	4.2
237.12720	2.3
237.16425	6.7
238.15213	4.0
239.17886	6.2
241.15822	2.4
241.19380	2.7
243.11769	2.8
244.12442	2.0
245.13303	4.9
246.13983	3.9
247.14781	8.6
247.16994	3.9
249.16347	6.7
251.17979	7.7
253.15862	2.0
253.19357	3.6
255.17444	6.4
256.17816	3.2
257.13162	3.0
257.19019	3.2
258.14032	2.6
259.14832	3.6
260.15436	2.3
261.16418	5.3
262.16946	3.4
263.18076	5.6
265.19437	5.4
268.18323	2.1
269.19012	12.2
271.20477	2.9
273.16190	3.3
275.17740	3.8
275.20340	2.4
276.18469	2.9
277.19296	3.8
281.19006	5.4
283.20529	8.1
286.19284	2.1
287.19992	5.1
288.18686	1.9
289.19312	4.5
291.20923	2.5
293.18951	2.9
295.20673	4.7
299.20074	5.0
300.20700	3.9
301.21530	5.8
303.19727	5.2
304.19980	5.8
307.20639	2.9
311.19894	2.6
312.20767	2.9
313.21613	2.6
315.20837	3.1
325.21655	3.0
326.22061	2.5
329.22797	2.5
331.23959	4.4
333.22449	2.3
335.23776	3.1
349.25079	4.3
352.24075	10.1
353.24399	11.6
361.25131	3.3
365.24710	5.6
366.25037	2.1
367.26331	5.5
375.26801	3.6
377.24646	2.0
378.25046	2.6
393.27402	1.9
491.35074	3.0
503.34744	3.8
509.34750	2.1
520.35101	2.5
521.35864	10.7
554.56873	1.8
565.40564	10.0
583.41504	16.2
601.41882	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.5
53.03946	5.4
53.30216	1.7
55.01868	2.3
55.05510	24.2
57.07072	9.5
58.09703	1.9
59.05000	3.9
65.03944	5.3
67.05508	35.7
69.03429	16.3
69.07069	25.4
69.23280	15.8
71.04983	2.0
76.39094	1.6
77.03914	1.9
79.05493	37.6
80.34938	1.7
81.03418	2.9
81.07063	46.9
83.04992	23.2
83.08618	18.2
85.06553	5.8
85.10212	1.7
87.04466	6.4
89.06046	4.9
91.05485	62.3
93.07046	78.9
93.72517	1.7
95.04968	26.8
95.08607	44.4
97.06525	14.9
97.10167	3.5
97.79783	1.8
103.05460	6.1
105.04520	3.7
105.07034	100.0
106.07335	2.5
107.04929	2.4
107.08597	81.4
109.06516	14.0
109.10159	32.6
109.10851	1.4
111.04361	2.4
111.08082	3.8
111.11749	3.4
111.55801	2.0
113.09658	4.6
115.05476	7.5
116.06251	4.7
117.07027	19.7
119.04929	2.7
119.08585	97.9
120.08896	3.1
121.06522	12.9
121.10147	94.0
123.08074	14.9
123.11722	10.6
125.06015	4.0
125.09646	15.2
128.06218	13.0
129.07016	16.9
130.07779	7.0
131.08577	54.1
133.06514	3.7
133.08612	3.3
133.10136	64.3
134.10484	2.1
135.08069	19.6
135.11682	24.0
137.09621	10.8
137.13304	2.6
139.11186	6.2
141.06970	10.5
142.07784	27.0
143.08578	42.4
144.09343	11.8
145.06439	2.6
145.10129	72.1
146.10498	6.3
147.08083	9.6
147.11693	26.9
149.09628	20.9
149.13242	6.1
151.07538	4.4
151.11174	3.2
152.06133	2.5
153.06981	4.0
154.07756	4.4
155.08569	18.9
155.10666	6.1
156.09349	19.6
157.10141	60.7
158.10973	9.3
159.08086	14.2
159.11697	44.5
160.08589	2.8
161.09608	14.8
161.13249	11.4
163.11188	11.0
165.07018	4.5
165.09094	12.7
166.07814	3.3
167.08656	10.1
167.10677	67.7
168.09299	8.7
169.10130	35.9
170.10944	9.9
171.08087	1.9
171.11693	40.4
172.12263	4.1
173.09650	8.0
173.13258	23.8
175.11174	11.1
175.14864	14.8
177.12833	2.5
179.08553	10.5
180.09293	6.3
181.10129	20.4
181.12204	5.9
182.10909	9.0
183.11707	25.1
184.12338	4.0
185.09654	4.6
185.13249	23.2
187.11214	4.9
187.14856	9.9
189.12694	9.7
191.14305	8.0
192.09401	5.5
193.10170	15.4
193.11731	2.5
193.16003	2.5
194.10910	9.9
195.11668	25.3
196.12436	7.2
197.09685	2.7
197.13275	25.5
198.13951	3.2
199.11147	5.5
199.14888	12.3
201.12715	5.0
201.16463	6.4
203.14346	7.6
204.09096	1.9
205.10130	5.0
206.10922	7.2
207.11708	15.4
207.13586	3.4
208.12482	8.6
209.13254	20.6
209.15169	3.5
210.13939	7.3
211.11150	4.3
211.14772	19.2
212.15276	2.8
213.12749	6.5
213.16399	6.5
215.14314	8.1
217.10168	2.1
217.15836	5.7
218.10849	2.9
219.11699	6.3
220.12480	5.5
221.13278	17.0
221.15410	24.5
222.13992	5.2
223.14825	13.4
225.12779	5.1
225.16406	8.4
227.14294	5.8
227.17815	3.0
231.11540	4.1
231.17441	2.4
232.12201	2.0
233.13217	11.5
233.15401	31.0
234.13774	3.1
235.14816	8.3
236.15416	2.9
237.16434	8.1
239.14311	4.4
239.17966	4.6
243.11603	2.2
243.17516	2.5
245.13190	4.1
246.13977	4.9
247.14751	7.5
247.17021	2.9
249.16364	6.0
251.14268	2.3
251.17964	7.7
253.15997	2.2
253.19492	4.6
255.17390	6.2
256.17905	2.3
259.14819	4.2
260.15302	2.6
261.16400	6.4
263.17960	6.3
265.16107	2.3
265.19446	6.1
267.17429	2.9
267.21036	2.7
269.19003	12.9
270.19412	2.4
271.20349	3.0
273.16180	4.2
273.18799	3.7
274.16989	2.5
275.17889	4.9
277.19440	3.5
281.19031	8.4
283.20557	7.6
285.18417	5.9
287.20270	4.0
289.19370	3.6
291.17731	2.5
293.18979	2.1
295.20441	3.7
299.20142	5.9
300.20239	2.1
301.21808	3.3
303.20880	2.9
307.20844	2.2
311.19980	3.4
315.20926	1.9
347.23654	1.9
348.23923	1.7
349.25345	3.0
353.24631	2.8
367.26392	2.2
377.24634	2.2
460.76428	2.2
491.34872	4.1
526.86432	2.2
527.85077	1.8
547.39661	2.2
565.40173	5.2
583.41388	13.6
601.22815	4.8
601.43225	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	601.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89341	1.9
53.03945	6.7
55.05509	20.4
57.07072	11.1
65.03941	5.5
67.05176	2.9
67.05511	34.7
69.03433	14.6
69.07066	21.6
69.19680	21.5
71.04993	3.9
77.03889	2.0
78.82433	1.9
79.05500	33.9
81.07061	40.7
83.04539	2.6
83.04983	22.3
83.08615	13.1
85.06548	2.8
87.04424	2.7
91.05484	62.9
93.07044	75.3
94.07429	2.6
95.04980	24.1
95.08604	37.6
97.06528	10.8
97.31875	2.0
100.92436	2.0
103.05455	5.1
105.04516	2.8
105.07033	100.0
107.04989	4.4
107.08597	71.9
109.06519	13.2
109.10169	29.9
111.08068	6.9
111.11713	4.0
113.09658	4.4
115.05465	7.8
116.06278	2.0
117.07034	18.0
119.06031	1.9
119.08591	87.9
121.06551	10.1
121.10146	84.1
123.08065	9.2
123.11717	9.8
125.09620	16.0
128.06216	12.5
129.07007	18.8
130.07790	8.7
131.08569	41.7
133.06514	3.9
133.10138	62.1
135.08076	17.6
135.11688	21.5
137.09631	9.2
139.11172	4.2
139.76967	2.0
141.06998	7.4
142.07794	20.4
143.08574	41.0
144.09357	10.2
145.06474	3.4
145.10130	69.6
146.07315	2.1
146.10500	2.4
147.08034	9.4
147.11697	26.0
149.09624	16.5
149.13274	4.8
151.07520	5.4
151.11160	3.8
153.06938	3.1
154.07777	7.4
155.08569	20.0
155.10689	7.7
156.09334	15.1
157.10138	51.7
158.07234	3.2
158.10753	4.9
159.08047	17.9
159.11707	39.7
160.08775	3.1
160.12323	2.9
161.09633	17.0
161.13254	6.8
163.11195	9.3
163.14784	2.1
165.07001	6.2
165.09119	9.5
166.07755	3.6
167.08641	10.8
167.10681	75.3
168.09358	9.9
169.10143	27.6
170.10851	8.4
171.11703	37.5
172.12276	3.1
173.09634	6.5
173.13266	27.5
175.11174	11.0
175.14824	15.8
177.12785	2.4
179.08607	10.4
179.10037	2.0
180.09358	6.3
181.03810	1.9
181.10167	15.0
181.12234	5.6
182.10912	9.8
183.11674	25.6
184.12453	3.9
185.09624	6.0
185.13239	17.9
186.13858	3.8
187.11166	3.0
187.14836	13.7
189.12778	6.1
191.08620	2.1
191.14320	5.0
192.09372	6.7
193.10179	13.8
193.11890	2.4
194.10863	10.4
195.11693	24.1
196.12440	9.6
197.09706	2.5
197.13252	27.4
198.13826	2.7
199.11223	3.9
199.14841	12.7
201.12721	5.6
201.16385	5.0
203.14272	6.2
205.10156	3.1
206.10902	5.6
207.11664	17.4
207.13422	2.3
208.12543	6.1
209.13263	27.2
209.15182	3.6
211.11195	3.1
211.14827	16.6
213.12740	6.6
213.16344	4.2
215.14320	5.5
217.15704	3.8
219.11665	7.5
220.12396	3.1
221.13235	13.1
221.15385	22.8
222.13988	5.9
223.14850	14.9
225.12802	3.2
225.16347	9.4
227.14400	4.5
227.17775	2.4
229.10284	2.9
229.16010	4.3
231.11739	3.3
232.12384	2.7
233.13235	6.2
233.15346	33.9
235.14767	13.0
237.12766	2.4
237.16318	7.0
239.14142	2.7
239.17973	5.3
244.12268	2.5
245.13219	5.2
246.14131	3.8
247.14738	7.6
247.17094	2.8
248.15462	2.8
249.16357	7.9
251.06953	2.1
251.17934	6.9
253.19492	3.0
255.17505	4.7
256.17715	3.8
257.13223	2.8
258.14014	3.3
259.14670	4.7
261.16299	5.0
263.17947	4.5
265.15860	3.0
265.19476	7.3
269.18991	12.7
271.20538	3.7
273.16153	3.0
275.17914	4.2
277.19336	3.4
281.19006	6.9
283.20599	4.8
285.18484	5.0
287.20209	5.9
288.18353	2.5
291.21176	2.2
293.19098	3.1
295.20605	5.1
296.27261	2.3
297.18808	3.3
297.21985	3.6
299.20099	5.8
301.21811	3.9
326.87659	2.4
331.24271	3.1
348.24152	2.4
349.25250	3.9
353.24796	2.4
367.26337	3.2
375.27014	3.6
383.26950	2.1
431.28983	2.6
491.34457	2.4
565.40350	5.7
583.41589	11.8
601.42651	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.0
55.05507	11.6
57.07068	10.2
59.05021	3.9
60.48646	2.8
64.28214	2.4
67.05516	16.9
69.03430	8.9
69.07066	11.2
69.38965	17.9
69.39374	5.0
71.04991	2.6
79.05501	15.6
81.07057	20.5
83.04980	6.4
83.08611	9.1
85.06557	5.2
87.04483	4.6
89.06042	6.5
89.45421	2.8
91.05486	27.6
93.07048	42.6
95.04976	6.6
95.08619	27.3
97.06538	7.8
97.10158	2.7
98.20750	5.2
101.80340	2.4
103.05498	2.9
105.07037	48.2
107.08605	30.8
108.08900	2.5
109.06528	12.8
109.10152	19.2
111.08145	3.2
111.24217	2.6
115.05502	2.5
117.07011	12.9
119.08591	48.1
120.08893	3.5
121.06515	5.5
121.10162	28.5
123.08073	15.4
125.05988	3.3
128.06218	6.2
129.06996	8.7
130.07770	5.1
131.08586	23.6
133.06529	4.7
133.08653	4.6
133.10153	32.7
135.08081	11.3
135.11722	8.7
137.09636	12.1
141.07011	5.5
142.07797	8.9
143.08559	25.0
144.09207	3.7
145.10139	32.0
147.08035	13.8
147.11699	12.6
149.09619	5.8
151.07564	9.6
155.08594	8.5
155.10686	5.7
156.09378	10.0
157.10135	26.1
158.10689	4.8
159.08115	3.9
159.11717	27.5
160.08902	4.1
160.12100	3.1
161.09517	5.5
161.13223	6.5
163.11136	7.2
165.07042	3.2
165.09131	39.2
167.08565	7.0
168.09358	3.9
169.10153	12.2
170.10873	6.0
171.11707	20.6
172.12209	2.9
173.13289	13.5
175.11317	4.8
175.14848	7.5
177.74602	2.6
179.08652	3.2
179.14185	3.1
181.10144	6.2
181.12251	6.5
182.10838	3.1
183.11725	13.9
185.13297	9.0
187.11218	3.2
187.14746	4.1
189.12810	4.7
191.14316	3.0
193.10207	4.2
195.11713	8.8
196.12396	3.1
197.13293	10.0
199.14757	4.7
201.12686	2.8
201.16269	4.1
203.14336	12.6
207.11652	8.0
207.13858	8.0
208.12572	3.1
209.13290	12.5
210.13780	4.5
211.14830	7.5
213.12631	2.9
215.14340	3.7
217.15816	2.6
221.13470	4.8
221.15373	100.0
222.15710	8.3
223.14745	4.7
225.16449	4.2
233.13370	3.4
234.16194	3.8
235.14778	6.1
236.15405	2.8
237.16386	4.8
247.14697	3.1
247.16922	6.2
251.18085	4.0
265.19452	4.3
299.20071	3.3
352.23981	4.1
353.24216	5.3
365.24805	2.7
404.87689	2.7
440.29214	3.6
441.29303	6.3
491.35107	8.3
509.35818	4.2
520.35327	3.8
521.35962	18.0
583.41223	14.8
601.42334	46.3
601.56403	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	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77354	5.9
55.05518	10.3
57.07068	15.9
59.05000	5.8
59.34189	5.0
59.85326	4.6
66.36505	4.7
67.05514	28.7
69.07069	6.5
69.42427	33.9
69.42832	10.4
79.05524	14.2
81.07061	22.7
84.86021	5.0
85.10205	6.6
89.06032	16.1
89.11117	5.2
89.63591	4.9
91.05480	18.9
91.96592	4.4
93.07049	44.7
95.04979	5.8
95.08616	25.4
98.20737	6.1
105.07028	35.3
107.08601	25.7
109.10159	19.7
113.15878	6.2
115.05455	5.4
117.07024	11.2
119.08581	45.6
120.08888	6.2
121.06490	6.1
121.10163	23.6
123.08091	16.9
123.68230	4.8
124.63591	6.4
125.05948	6.3
131.08574	22.3
133.08647	4.8
133.10124	18.2
135.08064	12.6
135.11728	7.9
137.09648	10.3
143.08545	16.8
145.10092	38.3
147.08092	25.5
149.09595	7.4
151.03961	6.4
151.07565	12.7
155.08601	7.1
157.10118	18.5
159.11711	13.5
163.11192	13.4
165.09096	37.1
169.10085	8.1
171.11707	8.1
173.09624	6.4
173.13336	7.7
175.11177	6.8
181.10060	9.6
181.12198	7.5
182.11000	6.6
183.11691	7.4
185.13293	8.8
187.14934	7.0
195.11607	8.6
197.13333	11.8
203.14302	14.5
209.13200	6.0
211.14725	5.4
221.13300	7.0
221.15375	100.0
222.15729	10.8
231.29932	5.2
247.16966	9.1
287.20038	6.9
300.20538	8.9
301.21588	5.7
353.24323	7.3
372.15057	5.9
375.27448	5.7
427.28119	6.2
440.29312	6.3
441.29782	9.1
489.35864	12.9
491.35098	6.9
521.35968	9.0
583.41351	9.5
601.42468	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.3
55.05501	9.6
57.07082	16.4
59.05004	4.0
67.05513	20.2
69.03430	8.7
69.07056	9.8
71.08623	3.1
71.14873	5.1
79.05494	17.7
81.07062	28.1
83.04971	4.1
83.08609	7.3
85.06523	5.1
85.10186	4.6
89.06035	5.5
91.05486	24.5
93.07053	42.6
95.04958	6.5
95.08613	24.4
97.06535	5.7
102.77283	3.1
103.05464	2.5
105.07043	35.5
106.07337	3.7
107.08603	26.3
108.08958	3.8
109.06519	8.4
109.10191	19.2
111.08057	4.3
117.07014	10.8
119.08587	45.5
120.08902	4.2
121.06526	7.3
121.10165	22.8
123.08096	21.2
128.06183	3.1
129.07004	7.9
131.08574	19.9
133.08620	5.8
133.10147	25.8
135.08031	12.9
135.11678	9.4
137.09599	11.9
142.07770	9.9
143.08543	16.9
144.09253	5.2
145.10123	29.0
147.08038	22.0
147.11670	7.6
149.09608	5.1
151.07535	10.1
155.08533	9.1
156.09308	7.1
157.10135	25.3
158.10736	2.9
159.08066	4.1
159.11693	24.8
160.08888	2.7
161.09567	6.0
161.13232	6.2
163.11205	10.3
165.06944	3.1
165.09122	38.8
166.09360	2.8
167.08566	4.4
169.10103	11.1
170.10573	5.8
171.11719	17.7
173.09720	4.0
173.13261	7.4
174.13879	2.5
175.11186	8.2
175.14641	4.1
179.08455	5.0
181.10114	5.5
181.12170	9.6
182.10872	4.3
183.11626	14.2
185.13280	7.9
187.11096	2.9
187.14763	4.7
190.13509	4.5
191.14322	2.7
192.09390	3.3
193.12144	2.8
195.11673	8.8
196.12325	3.4
197.13269	12.0
203.14290	14.7
207.11731	4.2
207.13713	5.2
209.13182	10.0
209.15082	3.3
210.13768	3.0
211.14830	5.9
221.13393	6.1
221.15364	100.0
222.15717	8.3
223.14716	5.1
234.16075	2.8
237.16359	3.7
239.17859	2.9
247.17068	5.1
277.08817	3.0
286.19107	4.1
287.20004	5.5
301.21603	5.4
329.26770	5.4
338.22299	3.6
352.23874	11.5
353.24197	13.4
367.26364	3.1
455.31757	3.3
491.34949	8.3
520.35480	3.7
521.35956	28.1
583.41235	11.2
601.42206	50.4
601.55450	8.8
618.04266	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	601.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11372	3.1
55.05521	6.1
57.07079	24.4
59.04998	10.3
67.05508	15.9
67.62948	2.9
68.46320	2.7
69.03431	9.2
69.07056	9.0
71.08631	16.4
79.05488	9.5
81.07076	17.9
83.04984	4.9
83.08643	4.8
85.06549	5.7
85.10174	11.2
87.04475	10.9
89.06037	11.1
90.01939	6.4
91.05495	21.1
93.07047	27.7
93.51560	2.9
95.04942	7.6
95.08606	18.9
97.06558	3.3
103.07581	6.8
105.07042	37.7
107.08598	17.8
109.06531	8.0
109.10163	10.9
111.08092	3.1
117.07020	8.9
119.08585	31.1
121.06509	3.2
121.10147	13.4
123.08048	11.0
125.09628	3.0
129.07030	9.2
130.07774	4.7
131.08597	15.8
133.08652	4.1
133.10120	21.5
135.08072	8.7
135.11719	7.5
137.09636	14.9
142.07739	4.1
143.08559	12.5
144.09325	5.6
145.10147	24.9
147.08028	21.2
147.11685	8.3
149.13223	2.9
151.07547	9.7
155.08586	3.5
156.09335	5.3
157.10129	17.5
158.51753	2.8
159.08125	3.6
159.11760	13.7
161.09506	4.0
161.13258	7.4
163.11154	4.8
165.09108	45.4
167.08592	4.8
169.10181	7.7
171.11655	9.3
173.13232	6.4
175.14838	5.1
177.32697	2.8
179.08559	4.4
181.12248	7.8
183.11725	9.4
185.13185	4.6
187.14859	6.1
189.12756	3.3
193.10124	3.5
195.11737	9.0
197.13383	5.5
199.14931	3.5
203.14348	16.3
207.13753	5.1
209.13240	6.3
221.13582	4.6
221.15375	100.0
222.13843	3.8
223.14752	3.2
235.14795	4.7
247.17070	4.1
286.19669	3.1
287.20023	4.1
352.23990	3.7
353.24530	4.9
362.86005	3.7
382.43384	3.1
393.27594	3.2
491.35202	8.8
509.35745	3.9
521.35803	7.2
583.41205	9.2
601.42743	45.3
604.13647	3.7
617.34082	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	601.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.05507	13.8
57.03434	4.0
57.07071	5.2
61.31533	2.1
67.05504	29.4
69.07069	21.6
71.01321	2.5
71.04971	2.2
71.56847	2.6
73.02920	5.7
73.11012	2.0
79.05494	16.4
81.03394	3.0
81.07059	47.6
83.08624	15.4
85.02909	19.2
91.05480	17.9
93.07050	33.5
95.01329	7.6
95.04951	2.4
95.08611	100.0
97.06585	3.4
97.10175	9.0
102.41404	2.3
103.03958	2.2
105.07038	29.5
105.09840	1.8
107.08609	53.9
109.10162	72.5
111.11742	7.3
113.02378	8.2
117.07022	3.6
119.08586	52.7
121.10141	53.7
123.08034	2.6
123.11700	29.2
131.03441	5.1
131.08556	8.9
133.10143	49.3
135.11703	38.9
137.13249	9.0
139.98521	2.0
141.01851	14.4
143.08484	4.0
145.10123	14.2
147.11703	37.0
149.13258	21.4
151.14824	2.9
157.10150	2.9
159.11705	17.3
161.13257	33.9
163.14825	18.3
165.12624	2.8
168.62302	2.3
171.11595	3.5
173.13286	17.3
175.14818	25.2
177.16382	29.9
179.17978	3.4
185.13271	2.5
187.14832	23.7
189.14766	4.4
189.16383	62.9
191.17970	50.4
201.16380	17.6
203.17981	39.5
205.19510	20.5
207.17448	5.8
213.16251	2.6
215.17946	15.2
217.19551	36.8
219.21075	7.0
221.18924	2.4
227.18010	4.1
229.19489	20.9
231.21034	8.8
243.21063	4.5
245.22635	9.6
255.21115	2.9
257.22647	12.2
267.16074	2.9
269.22751	6.5
271.24167	8.3
283.24136	5.0
285.25964	3.4
297.25742	7.6
351.30692	2.7
365.32184	5.5
383.20328	2.6
407.36749	58.8
425.37799	10.5
466.70047	2.0
468.25229	2.3
601.40350	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	601.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.05506	15.9
57.03445	1.8
57.07067	4.0
61.02917	1.4
65.03934	1.5
67.05505	23.9
69.03420	1.8
69.07070	24.0
69.24805	7.3
69.25233	6.5
71.01353	3.4
73.02905	4.9
77.03898	1.4
79.05492	11.6
81.07059	42.9
83.08625	12.5
85.02911	20.2
91.05489	11.6
93.07047	31.0
95.01333	7.7
95.04983	1.6
95.08614	100.0
97.10165	8.2
98.21482	2.7
105.07034	32.3
107.07868	2.3
107.08598	56.4
109.10162	68.5
111.08146	1.7
111.11694	4.4
113.02360	10.5
117.07008	5.6
119.08588	44.2
121.10146	51.1
123.11713	27.3
131.03426	2.3
131.08582	7.1
133.10143	39.6
135.11696	41.4
137.13283	8.4
141.01831	12.1
143.08571	2.0
145.10120	18.3
147.11687	38.0
149.13269	22.1
151.11197	1.8
151.14827	1.8
157.10085	3.5
159.02968	3.4
159.11697	18.9
161.13271	35.4
163.14838	25.0
167.98599	1.6
171.11725	3.1
173.13261	14.0
175.14835	26.2
177.16394	33.4
179.17969	3.6
185.13278	2.6
187.14813	21.0
189.16389	75.7
191.17963	52.8
191.19318	1.1
199.14850	2.1
201.16405	23.0
203.17963	39.4
205.19489	18.7
207.17433	5.1
213.16403	2.0
215.17917	15.1
217.19519	34.7
219.21085	5.3
227.17978	4.4
229.19556	16.9
231.21065	8.2
243.21129	9.2
245.22711	6.8
255.20975	3.6
257.22614	8.7
269.22617	6.2
271.24234	10.5
283.24173	2.5
285.25778	2.8
297.25772	11.8
337.28983	2.6
365.32071	5.2
383.20639	2.8
407.36722	55.3
425.37778	9.5
491.30151	1.9
601.40613	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	601.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01856	1.0
55.05513	14.8
57.03445	3.8
57.07078	4.7
60.14970	0.8
65.03934	1.6
67.05509	30.0
69.03419	2.2
69.07073	28.3
69.07450	1.3
69.40102	0.9
70.60949	1.4
70.61293	1.5
71.01347	3.5
71.08624	1.8
73.02925	7.4
73.33832	0.7
75.58170	0.8
79.05492	16.0
81.07063	47.3
83.08147	1.3
83.08622	16.5
85.02424	1.4
85.02908	20.5
91.05482	18.5
93.07051	37.2
95.01328	7.3
95.04990	2.3
95.08613	100.0
97.02888	2.1
97.06515	0.9
97.10179	7.6
99.00789	2.3
100.15242	0.8
101.02377	1.5
103.03934	2.1
105.07037	41.3
107.08599	63.0
109.10162	78.6
111.08060	1.7
111.11716	6.2
113.02381	9.5
117.07030	5.0
119.08588	58.7
121.10151	57.1
123.08051	1.3
123.11713	30.8
129.06993	1.2
130.07715	1.1
131.03395	3.7
131.08571	7.6
133.10138	48.1
135.11694	41.3
137.13277	10.3
141.01833	16.1
142.07788	1.1
143.08537	3.3
145.10123	17.6
145.11252	0.9
146.10829	1.2
147.11697	41.2
149.12051	1.4
149.13260	28.0
151.11166	1.0
151.14832	2.4
153.12852	1.1
157.10144	3.8
158.10843	1.1
159.02921	4.4
159.11688	21.7
160.12428	1.4
161.13268	41.9
163.14838	24.1
165.12706	1.1
165.16397	1.4
171.11723	2.7
172.12486	1.5
173.13257	14.4
174.14056	1.0
175.14833	27.1
177.16393	30.3
179.17957	5.0
185.13231	3.6
187.14821	18.4
188.15517	1.3
189.16393	76.3
191.17961	57.3
191.19278	0.8
191.19804	0.9
193.19485	1.4
199.14806	2.4
201.16414	24.8
203.17969	39.5
205.19531	19.9
207.17398	4.7
213.16463	4.3
215.17996	18.8
217.19518	33.7
219.21117	5.7
221.19008	3.1
227.17989	4.6
229.19533	18.2
231.21109	11.9
241.19543	3.0
243.21169	9.4
245.22650	9.0
255.21162	5.1
257.22641	9.9
259.24228	1.9
269.22681	6.9
271.24252	11.8
283.24161	2.9
285.25748	3.0
297.25748	10.9
311.27420	1.9
323.27328	0.8
337.28986	1.9
365.32083	5.4
383.20554	4.1
407.36740	59.6
425.37866	8.1
488.63254	1.1
601.41138	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	601.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98899	0.5
51.99161	0.4
53.03941	1.4
53.28938	0.5
55.01873	2.5
55.05507	0.7
57.03419	1.6
57.24140	0.5
61.02922	0.9
65.03938	1.0
67.05508	2.6
68.99786	3.0
69.03429	5.7
69.07056	0.7
70.06596	0.8
70.09975	1.2
70.10370	1.0
71.04978	1.4
73.02906	1.3
79.05499	2.6
80.61340	0.5
81.03423	6.6
81.07072	3.5
85.02903	9.5
86.09732	0.6
87.00838	3.2
87.01270	0.5
91.05489	6.3
93.07035	3.0
95.04981	3.4
95.08628	1.3
97.02885	4.5
99.04456	2.3
103.03924	0.6
103.05454	1.9
105.01864	3.3
105.07028	3.5
107.04977	2.1
107.08598	1.0
109.02886	6.8
109.06519	2.0
109.10143	1.3
115.05463	0.9
117.07022	1.1
119.04945	4.0
119.08570	3.4
121.06488	4.7
121.10160	0.5
123.04414	2.4
125.06038	0.8
127.03924	8.7
128.06236	3.2
129.01880	0.8
129.06992	1.3
131.04922	1.3
131.08560	0.6
132.05687	0.5
133.06503	0.8
133.10107	3.4
135.04427	2.5
135.08009	0.7
137.02335	0.7
137.05978	4.9
137.09599	0.6
139.03932	0.7
141.05460	2.5
141.07056	0.6
142.07768	0.9
143.08568	3.5
145.05003	3.1
145.06488	1.9
145.10078	0.7
146.07204	0.7
147.04411	18.1
147.08055	31.0
149.06001	5.2
151.07565	0.6
153.05475	59.2
158.07324	0.6
159.02917	3.8
159.04422	1.5
159.08035	1.1
160.05299	0.6
161.05968	1.7
161.09637	5.0
162.03108	0.8
163.03944	1.1
163.07475	0.5
164.07196	0.5
165.05482	8.1
167.03372	0.6
167.07043	1.4
167.08502	0.9
169.06523	0.6
170.07204	0.7
171.04431	0.7
171.08067	10.8
173.09662	1.1
174.06842	1.6
175.03879	1.0
175.07513	1.4
177.04036	1.0
177.05472	12.2
177.09099	0.8
178.02553	0.6
178.06216	3.0
179.07025	0.7
181.06505	0.8
183.07976	0.9
185.06015	1.0
185.09575	1.5
187.03976	0.6
187.07549	1.4
189.09116	60.8
191.06999	0.7
191.14398	1.1
193.04962	13.1
195.06474	2.4
195.08124	1.3
198.06790	3.0
199.07544	3.5
201.09114	4.2
203.07129	0.7
205.08751	0.5
207.10103	2.4
211.07484	1.5
213.09100	12.0
213.10991	0.9
214.06223	0.5
215.06987	1.0
217.08760	1.1
219.06551	1.5
225.09143	0.6
227.07199	0.7
229.08563	3.7
231.04991	1.7
231.10109	0.9
237.09167	0.7
255.06557	18.5
255.09851	1.0
261.07590	1.5
279.09921	0.8
283.09677	0.6
293.11435	1.0
295.05881	0.6
295.09515	0.7
297.07541	1.4
297.11078	1.0
299.09210	3.8
307.09698	1.9
309.07639	0.9
310.08301	1.3
311.09125	0.6
321.11176	1.2
323.09204	3.2
325.10941	0.8
325.14447	2.9
335.12839	0.7
337.10736	1.1
338.11472	1.5
339.12234	2.1
351.12335	3.4
353.13837	100.0
354.13989	0.8
365.08826	0.7
365.13806	1.7
377.14056	2.9
395.14838	5.4
401.10721	1.5
419.14847	2.2
443.14697	1.7
461.15915	2.6
565.16895	1.5
601.19226	1.7
601.28064	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25278	0.9
55.05499	2.5
57.07078	100.0
59.05006	28.4
69.07060	1.8
71.08634	95.7
71.16747	0.7
83.08606	3.6
85.10186	95.8
87.04481	5.1
89.06034	60.4
99.11736	11.1
100.99867	0.8
101.09666	3.3
103.07582	1.8
107.07083	1.1
111.11730	1.4
117.09138	4.9
130.08600	0.9
131.07048	3.3
133.08609	52.9
141.16388	10.9
147.10109	1.3
160.57068	0.8
175.09642	1.8
177.09665	1.1
177.11229	19.1
189.88907	0.9
191.12741	2.1
199.20572	30.8
219.12323	1.0
221.13811	5.5
239.14914	1.2
257.24792	13.0
265.16534	1.3
283.17584	2.8
296.09720	0.8
309.19012	3.0
327.20145	20.8
367.23297	4.5
385.24365	4.3
425.27252	3.0
583.43829	2.0
600.36713	1.1
600.46643	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	600.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00188	0.9
55.05503	2.4
55.58945	0.9
57.07077	98.6
58.42192	0.8
59.05003	15.9
60.02979	0.7
67.05501	1.8
69.07079	1.6
69.54772	4.0
69.55189	1.8
71.08632	71.1
73.06554	1.9
76.49425	0.7
79.05489	1.6
81.07083	0.9
81.64609	0.8
83.08623	2.1
85.10182	59.0
87.04472	10.0
89.06033	100.0
91.05514	1.2
91.07620	1.3
93.07052	1.9
95.08611	1.1
97.10176	1.4
99.11741	10.2
103.07602	7.8
105.06995	2.1
107.08504	1.4
108.50166	0.8
113.13272	3.3
117.09129	2.6
119.08582	1.6
121.10072	2.0
130.08617	1.8
131.07030	3.9
131.08575	1.3
133.08604	83.4
145.10144	2.1
155.08510	1.0
155.17947	8.1
156.09357	1.0
157.10039	1.0
159.11729	1.1
167.10612	1.6
171.11658	1.2
175.09666	5.6
175.90195	1.1
177.11227	38.1
213.22107	8.3
219.12102	1.7
221.13820	9.8
233.15341	1.2
239.14832	1.6
251.51508	0.9
257.24771	5.5
265.16370	4.3
276.10059	0.9
283.17542	3.5
285.14417	0.8
309.19348	1.7
327.20047	4.0
353.21594	3.0
371.22763	27.7
374.63080	1.0
411.26056	4.2
429.26682	1.0
474.45584	1.0
583.44324	5.8
600.47083	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50667	6.8
55.05508	22.9
57.07071	38.3
59.05008	14.0
67.05501	30.8
69.03435	15.6
69.07066	15.1
70.06610	9.1
71.08609	10.2
71.56767	9.4
73.96697	8.4
79.05490	29.4
81.07041	34.3
83.04990	9.9
83.08611	15.6
85.06556	13.6
87.04443	8.3
89.06034	29.3
91.05483	41.3
93.07054	62.5
95.04951	20.0
95.08604	46.3
97.06551	17.3
99.29398	8.3
105.07040	76.4
107.08630	39.5
109.06512	26.2
109.10155	22.3
113.09669	11.3
113.66907	8.3
117.07046	25.2
117.78862	8.4
119.08602	83.2
121.06498	10.9
121.10151	30.6
123.08060	35.2
125.05939	9.2
125.33442	8.0
128.06198	10.9
129.07010	26.1
131.08577	35.8
133.08612	22.8
133.10138	35.9
135.08087	27.3
135.11687	14.5
137.09624	18.8
141.06927	9.7
142.07805	15.8
143.08559	42.7
144.09331	12.0
145.06528	22.2
145.10153	62.6
147.08078	27.8
147.11722	16.5
149.09669	10.5
151.07591	11.3
155.08548	12.4
155.10677	16.2
156.09340	17.8
157.10133	59.4
158.10921	16.3
159.08047	11.3
159.11710	34.7
159.19304	10.4
160.08855	68.6
161.13197	10.8
163.11201	31.1
165.09148	29.7
167.10719	10.9
169.10141	18.4
170.10902	9.9
171.11700	36.8
173.09581	10.9
173.13280	12.3
175.11212	30.0
175.14799	9.3
177.11276	10.2
179.08513	9.4
181.10130	20.9
181.12228	22.3
183.11699	26.2
185.13324	12.4
193.10123	9.9
193.12292	14.0
195.11647	22.4
197.13239	22.6
199.14886	11.3
203.14349	20.8
207.11708	16.8
207.13667	9.8
208.14603	17.8
209.13260	19.7
211.14919	14.4
221.13396	16.9
221.15390	100.0
234.16096	21.4
247.16914	18.0
283.26260	21.2
285.18378	10.2
286.19266	24.2
287.20087	9.8
299.19992	28.1
306.87653	9.4
311.20105	10.7
312.20935	12.3
313.21704	9.7
325.21646	23.1
337.21631	10.7
340.23895	10.1
352.23969	55.1
365.24667	10.7
415.25479	14.1
440.29227	43.5
520.35291	54.9
584.41980	9.4
600.41382	32.7
600.55145	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.05497	4.0
57.07076	15.8
59.04998	5.4
59.78736	2.1
65.63087	2.1
67.05502	11.8
69.03429	8.6
69.07059	7.3
69.22235	23.0
71.08624	4.4
73.42914	2.3
78.13149	2.3
79.05507	12.1
81.07058	18.1
83.04974	6.7
85.06518	4.1
87.04493	2.8
89.06029	14.6
91.04951	3.8
91.05482	32.8
92.06278	2.5
93.07048	37.0
95.04958	9.7
95.08613	21.0
97.06528	4.9
98.52508	2.1
105.07041	51.7
107.08592	27.2
109.06508	10.2
109.10161	9.3
115.05469	4.2
117.07034	12.2
118.51553	2.0
118.65126	2.1
119.08587	60.6
120.09400	2.7
121.06479	8.5
121.10130	20.9
123.08070	15.9
125.05988	8.5
125.43328	2.3
128.06146	3.8
129.07011	11.1
130.07756	4.4
131.08566	21.8
132.09283	3.2
132.77499	2.4
133.06421	3.0
133.08585	5.9
133.10130	19.9
135.08061	17.3
135.11661	6.1
137.05942	2.7
137.09576	12.8
139.07556	3.8
141.06979	3.5
142.07758	10.4
143.08557	20.9
144.09381	4.0
144.67976	2.0
145.06529	3.0
145.10123	41.8
147.08046	20.8
147.11656	10.2
149.09625	10.9
150.10503	2.6
151.07538	8.9
155.08539	8.9
156.09337	10.2
157.10144	35.9
158.10896	9.3
159.08066	8.2
159.11696	23.5
160.08755	3.2
161.09634	10.8
161.13214	6.1
163.11159	21.2
165.09131	41.0
167.08563	4.5
168.09354	5.1
169.10185	14.0
170.10875	5.1
171.11703	20.0
172.12454	3.5
173.09624	6.7
173.13272	7.9
175.11186	25.1
177.09119	3.9
178.09792	3.1
179.08604	2.6
180.11484	4.3
181.10132	8.9
181.12251	20.4
182.10959	5.6
183.11658	11.2
184.12431	2.8
185.09613	2.7
185.13245	12.0
186.14000	3.0
187.11182	4.6
187.14896	3.6
189.09004	2.4
189.12772	7.7
190.13530	7.5
191.10666	6.4
191.14334	2.7
193.10274	4.0
193.12216	12.1
195.11700	8.3
195.13840	3.4
196.12428	5.0
197.13274	12.8
199.11188	7.4
199.14871	3.7
201.12712	8.8
203.14348	15.1
206.10922	2.5
207.11729	5.6
207.13814	10.3
208.12698	3.0
208.14543	11.2
209.13243	8.4
209.15262	3.6
211.11131	5.7
211.14828	8.8
213.12724	6.7
215.14325	6.9
216.15063	3.1
219.13773	7.0
221.13347	6.3
221.15369	100.0
222.15782	6.5
223.11105	2.5
223.14818	6.1
225.12724	3.2
225.16353	2.3
227.14261	4.1
229.15930	4.6
233.15375	6.7
234.16118	19.4
235.14671	5.4
237.12738	3.3
247.14783	4.3
247.17001	31.8
251.14348	3.2
251.18056	3.4
253.15848	3.8
259.17014	5.3
263.17911	2.9
265.15839	3.2
271.16983	3.7
273.18585	3.3
274.19366	14.7
279.17487	2.5
281.18921	3.6
283.26239	9.7
286.19333	4.8
287.20215	13.0
297.18613	4.0
298.19357	3.0
299.20120	22.0
300.20792	2.6
307.20541	4.3
311.19968	6.6
312.20822	8.5
313.21545	7.7
319.20856	3.6
323.19760	2.6
325.21625	19.7
326.22513	2.6
327.23230	3.0
331.46207	2.8
337.21762	5.3
339.23129	6.1
340.24002	18.0
344.31244	2.9
351.23099	2.9
352.23950	41.8
353.24725	4.0
365.24713	6.4
366.25735	5.6
379.26340	4.5
387.25287	4.1
391.26563	5.3
392.27084	4.2
400.25735	2.5
402.27896	2.6
413.26978	4.1
415.25381	5.0
419.29489	10.8
420.29816	6.1
425.26837	7.7
426.27759	5.6
427.28424	20.0
435.29065	2.7
440.29254	53.7
442.30811	2.8
454.30811	3.2
507.34656	4.2
508.35110	8.2
512.46344	2.4
520.35535	51.3
521.35730	3.2
546.87610	2.5
548.16333	2.6
582.41376	3.1
585.39246	5.1
600.41711	36.9
600.55835	15.8
601.42493	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.05500	9.2
57.07085	15.2
59.05002	9.8
59.44621	2.0
67.05505	16.3
69.03421	9.0
69.07059	9.6
69.42289	14.5
71.08626	6.7
77.03902	2.1
78.26533	1.9
79.05497	19.5
81.07056	26.9
83.04968	6.0
83.08613	8.1
85.02921	2.2
85.06535	9.4
85.10166	7.0
87.04457	3.8
89.06048	12.0
91.05482	37.5
93.07050	44.5
95.04981	11.7
95.08609	24.7
97.06547	7.8
103.05475	3.2
105.07036	61.7
107.04963	2.7
107.08595	32.6
109.06526	13.7
109.10145	13.3
111.08061	5.3
113.09646	2.8
115.05464	6.3
117.07038	15.5
118.07767	2.8
119.08588	63.0
121.06531	10.7
121.10136	29.9
123.08065	25.0
125.05960	8.6
125.09644	3.2
128.06198	8.0
129.07013	18.1
131.08582	34.5
132.09352	3.3
133.06493	5.7
133.08606	4.9
133.10133	26.9
135.08057	17.8
135.11679	7.9
137.05991	2.6
137.09607	13.7
138.75819	2.3
141.06985	4.9
142.07814	16.3
143.08575	36.0
144.09309	12.6
145.09041	4.1
145.10135	56.7
146.10852	2.4
147.08061	27.2
147.11723	11.9
149.09645	15.2
151.07564	11.8
154.07751	3.7
155.08598	15.7
155.10704	4.3
156.09373	15.1
157.10132	51.7
158.10902	11.7
159.08083	12.3
159.11713	35.4
160.08836	2.3
161.09628	12.8
161.13277	8.6
163.11153	14.9
165.06972	6.0
165.09128	39.5
167.08601	5.9
168.09430	4.5
169.10150	19.6
170.10899	9.3
171.08026	3.6
171.11670	27.9
172.12430	6.4
173.09666	7.7
173.13168	14.9
174.10387	2.3
175.11188	18.9
175.14848	4.4
177.09122	4.4
177.11267	2.6
177.12766	3.7
178.09941	2.5
179.08508	6.8
180.09338	4.0
181.10144	13.0
181.12213	15.0
182.10930	5.8
183.11742	22.4
184.12489	5.1
184.92728	2.0
185.09576	5.9
185.13278	10.4
186.10320	3.2
187.11084	9.9
187.14862	5.1
188.11844	3.0
189.12782	9.5
190.13503	9.8
191.10611	3.6
191.14313	3.4
192.09303	5.5
193.10123	8.4
193.12216	12.6
194.10962	5.9
195.11746	17.7
195.13556	3.9
196.12508	7.3
197.09601	2.7
197.13309	20.8
198.13933	3.0
199.11139	7.7
199.14799	9.9
201.12723	8.0
203.14328	17.2
206.10913	3.3
207.11703	11.1
207.13788	8.4
208.12473	6.2
208.14600	8.8
209.13243	13.7
209.15225	4.2
211.11148	4.0
211.14848	13.3
212.11981	3.0
213.12798	7.4
213.16307	2.7
215.10649	2.6
215.14346	5.7
219.11768	3.5
219.13809	6.8
220.12428	2.8
221.13293	7.9
221.15350	73.8
223.14835	9.7
225.12733	6.1
225.16322	4.1
227.14307	3.7
227.17914	3.1
229.15952	2.3
233.13260	5.2
233.15370	4.8
234.14009	2.8
234.16135	23.4
235.14793	6.4
235.16919	3.4
235.29582	2.1
236.15677	2.6
237.12720	7.6
239.14313	4.2
239.17934	2.9
240.15086	2.6
241.15886	3.6
247.14888	3.5
247.17021	15.1
249.16425	7.5
251.14211	2.9
251.18079	2.6
259.16968	5.7
261.16260	3.5
262.19193	2.5
263.17847	3.0
269.18805	3.4
271.17136	2.7
273.18524	4.4
274.19269	6.7
280.05759	2.1
281.19089	4.1
283.17334	2.6
286.19287	4.9
287.19965	9.7
289.19150	2.3
297.18616	2.5
299.20068	15.6
300.20746	3.2
306.30670	2.2
307.20609	2.5
311.19986	3.7
312.20859	5.5
313.21838	5.1
321.21991	2.6
325.21628	12.7
326.22397	3.6
327.23392	2.3
334.21637	2.9
337.21616	8.2
340.24097	4.7
352.23975	80.2
353.23926	2.5
363.23050	2.8
365.24820	15.9
377.24716	3.8
391.26202	6.6
415.25552	3.1
420.30276	3.9
427.28241	2.5
440.29114	7.0
454.30542	6.4
505.33075	4.8
507.34705	16.5
508.35178	9.9
520.35504	100.0
585.39209	5.0
600.41644	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79441	0.5
53.03944	1.0
55.01863	1.1
57.03447	0.8
68.99788	3.0
69.47672	4.3
71.01365	0.7
81.03415	3.3
85.02910	1.2
97.02916	0.8
107.04987	0.6
109.02894	1.7
123.04442	1.8
127.03922	2.2
135.04477	0.9
137.02348	100.0
137.03413	7.8
161.02379	0.9
164.07060	0.8
169.06558	0.6
179.03416	2.9
179.81345	0.5
181.06505	0.6
185.06035	0.9
187.07639	0.7
189.05527	0.9
197.05989	1.6
199.03880	1.9
199.07565	0.6
200.46542	0.5
201.05579	0.6
209.06035	0.9
211.07623	1.2
213.05495	1.2
223.07634	1.2
225.05571	1.1
227.03447	1.8
227.06947	0.9
233.06113	0.8
235.07494	0.8
237.05528	2.0
239.07118	0.8
241.04985	1.0
242.11743	3.8
247.07669	0.6
253.04846	2.6
255.06474	2.9
257.04514	0.9
257.08182	0.9
259.07706	0.5
265.04974	2.3
267.06720	0.9
269.04431	1.2
271.06171	0.7
275.07117	0.8
279.06573	1.6
281.04465	3.9
281.07791	1.0
283.06091	2.2
291.06662	0.6
293.04474	1.9
293.08063	0.9
298.07159	0.8
299.05630	0.7
303.06451	0.6
307.05911	2.9
309.07849	0.7
311.05478	2.1
321.07529	1.9
323.05588	0.7
323.09061	0.6
324.06384	0.7
331.06067	0.8
335.05536	1.2
337.07230	1.2
351.08713	1.8
357.07663	0.7
359.05563	0.9
361.07043	1.2
371.09341	0.9
375.08734	1.4
377.06635	4.8
377.10837	0.9
387.08438	0.7
399.08612	2.4
402.07449	1.5
403.08170	2.3
405.06067	1.4
415.08047	3.1
417.09753	4.9
421.09293	2.9
423.08545	0.6
429.09366	0.8
431.11209	1.4
433.09195	23.9
438.11868	2.0
441.09567	1.8
445.09091	8.8
450.11832	16.3
451.10379	0.7
453.09720	0.8
459.10703	5.1
462.12173	3.0
463.10284	8.6
473.12384	3.8
475.10403	0.8
480.12897	10.9
483.10474	1.5
487.10306	7.7
499.10315	3.4
504.12924	15.3
511.10321	8.8
516.12683	1.2
517.11182	0.8
528.12976	6.4
529.11316	27.8
534.13959	5.1
546.13977	25.2
547.12207	2.3
564.14966	14.4
565.13678	2.0
582.16022	16.8
600.17200	1.3
600.28680	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	600.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01857	1.7
56.96555	1.7
57.03445	2.0
61.02944	1.7
69.03412	3.1
69.90454	5.8
70.06592	6.4
72.08131	2.5
73.02885	1.4
79.05481	1.8
80.05029	1.5
81.03425	4.6
81.13412	1.3
84.08131	1.3
85.02895	5.9
86.09705	2.1
91.05482	4.0
95.04982	1.9
97.02916	2.7
105.07011	2.5
107.04978	2.0
108.04511	3.3
109.02850	2.3
119.04978	2.4
120.08080	1.5
121.02866	39.8
123.04456	1.6
126.05511	15.1
136.06181	5.6
137.02359	5.7
137.06000	3.9
142.63216	1.5
145.02829	4.5
146.05942	1.6
147.04413	2.0
161.05956	1.6
163.06313	2.2
164.07042	3.4
165.82684	1.5
167.07088	2.1
168.06609	2.7
173.05920	2.3
177.05492	1.9
177.07872	2.7
178.08612	3.9
178.84976	1.3
187.03900	1.5
198.09177	2.4
201.05409	3.0
213.05423	1.7
215.03406	2.4
219.06474	1.3
224.06958	1.9
227.03412	3.6
229.05049	2.4
239.03287	2.1
240.10110	2.7
241.04945	5.1
242.11752	4.6
250.04999	1.7
252.06456	3.3
255.02722	1.6
257.04611	2.9
267.06506	3.4
268.05902	2.9
268.09912	1.7
269.04355	3.4
271.02432	3.3
271.06079	6.2
278.04596	3.2
280.06104	2.7
283.05920	5.9
284.06274	4.4
295.05984	21.9
296.05673	4.4
298.06815	1.9
305.07968	1.5
307.06030	2.4
308.05746	2.4
309.07556	3.2
313.07047	25.8
317.07968	2.0
320.12885	7.2
321.07596	1.9
330.11935	2.5
333.07498	3.1
337.07056	3.4
344.06802	3.4
345.07599	6.0
346.08249	4.3
347.09207	2.9
349.06842	2.4
357.07413	7.2
358.08026	1.6
359.09039	7.9
361.06924	1.9
363.08755	3.6
369.07611	3.0
371.09158	3.4
373.06592	2.4
375.08594	6.0
386.10489	7.6
387.08591	14.0
388.11948	1.5
389.06210	4.0
391.07980	2.3
391.24310	1.5
394.22412	5.0
397.10330	2.0
398.10327	3.4
399.08469	2.4
400.08176	2.4
401.09076	4.4
402.09778	3.2
403.08127	12.5
411.08450	2.0
412.11862	1.7
414.09766	44.3
415.08325	4.4
416.11359	9.1
419.07678	3.1
420.10507	2.4
420.23654	2.5
426.09702	2.7
428.11127	3.5
429.09631	2.8
432.10922	1.9
433.09155	6.4
438.11865	1.8
438.22876	6.7
440.11050	4.2
443.11649	2.2
444.10800	63.1
454.12830	5.4
457.09283	3.4
462.11774	17.4
468.10938	16.5
474.11566	2.0
480.12827	11.6
482.12082	1.9
486.12149	8.2
487.10367	2.1
492.10419	4.4
498.12082	8.5
499.10117	3.2
510.11960	7.4
516.12012	2.2
517.11206	2.2
528.13025	10.8
529.10809	2.0
535.12604	2.4
546.13983	20.7
553.13391	3.5
556.27472	2.5
564.15070	68.9
582.16016	100.0
600.17017	21.9
600.28625	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	598.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.4
57.07077	100.0
59.05003	30.6
61.72845	1.0
63.65234	0.9
67.05495	1.1
68.83556	1.2
69.07060	3.5
69.30060	8.2
71.08633	88.2
71.35169	0.9
73.02919	47.5
83.08605	4.0
85.10184	71.0
87.04468	3.0
89.06025	11.2
91.83878	1.0
97.06488	1.1
97.10159	3.3
99.11739	13.7
101.09641	2.5
103.07585	1.2
111.11736	1.9
113.13288	5.0
117.05495	1.8
117.09124	8.8
127.14799	1.6
133.08603	7.2
155.17963	9.9
161.08080	1.9
169.71387	0.9
177.11209	4.2
185.19006	3.5
191.04022	1.2
199.20586	1.2
205.10710	8.1
211.14806	1.0
213.22128	19.5
243.23204	8.4
249.13527	1.0
254.24751	1.4
271.26315	8.5
283.17517	9.5
293.15701	1.2
311.17017	1.9
341.21561	2.2
369.21188	2.9
598.29309	1.4
598.45087	12.1
599.33051	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.4
57.03424	2.3
57.07080	100.0
59.05005	56.6
67.05483	2.3
69.07053	3.4
69.37400	3.3
69.37799	12.0
70.65505	1.3
71.08638	95.9
73.52016	1.5
81.07063	2.3
83.08623	3.4
85.10188	91.5
87.04454	4.0
89.06034	15.8
91.05497	2.3
93.07043	2.2
97.10197	1.9
99.11728	11.2
101.05987	1.6
101.09649	6.3
103.07578	7.0
117.09126	17.3
133.08611	13.0
141.16399	10.4
151.09662	3.3
155.17935	1.7
175.70773	1.6
188.67767	1.5
191.12831	4.5
199.20578	29.9
209.13708	2.8
212.09119	1.7
213.22141	1.8
240.23280	2.9
249.17026	2.3
257.24765	36.2
267.17889	3.1
277.97568	1.8
307.21201	1.9
315.28931	5.1
325.22244	2.1
357.99139	1.5
518.49585	1.6
581.45502	2.7
598.28760	5.1
598.48260	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	598.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.6
57.03444	2.2
57.07081	100.0
59.05007	37.3
59.05320	0.9
69.07081	2.5
69.27516	4.5
69.27925	1.1
71.08637	70.2
81.07052	0.7
83.08636	1.5
85.10191	62.6
87.04487	1.8
89.06043	19.8
91.05470	0.6
97.10188	2.5
99.11741	12.1
101.06061	0.9
101.09661	4.5
103.07619	0.7
110.91589	0.6
113.13307	4.8
115.07639	0.7
117.09143	13.2
133.08620	7.6
135.10266	0.7
147.10245	2.4
155.17963	9.0
158.11783	0.7
175.09787	0.9
175.13190	0.6
177.11223	6.3
191.12755	0.8
195.12317	4.9
213.22153	20.4
235.15546	2.4
253.16464	4.2
254.24953	2.2
271.26340	29.6
293.19876	1.6
311.20868	2.1
329.30759	2.0
351.24222	1.0
581.46436	1.6
598.48920	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	600.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01857	1.5
57.03438	0.9
58.06565	0.5
61.02931	2.5
62.59711	0.4
65.03925	0.4
68.99810	3.5
69.03417	1.8
70.06578	1.9
70.78224	0.6
71.01333	0.5
71.29877	0.6
71.30216	0.5
73.02914	2.0
80.54422	0.3
81.03419	4.3
84.08118	0.6
85.02908	4.0
86.09670	0.4
91.03948	1.2
91.05473	1.1
95.04967	0.4
97.02862	2.2
101.02402	0.6
107.01322	0.8
107.04958	1.0
109.02876	1.9
111.04442	1.0
115.05463	0.8
121.02884	1.0
123.04423	1.9
124.03946	0.9
127.03932	2.5
131.04929	1.0
135.04443	0.9
137.02353	100.0
137.03412	7.8
137.05960	1.7
145.06407	0.4
147.04398	0.8
149.05989	1.1
151.03938	2.5
152.04305	1.2
153.04378	0.6
160.05273	0.6
160.08012	0.5
161.02391	0.7
161.05988	0.8
162.05547	0.8
164.07082	4.4
169.06541	0.5
171.04486	0.5
173.06004	1.3
175.07570	0.9
177.01854	0.5
177.07860	7.9
178.08632	2.1
179.03487	2.1
179.08865	0.7
181.06543	1.0
185.05995	1.2
187.03932	0.7
187.07610	0.7
189.05490	1.4
195.02956	0.5
197.06041	1.8
198.09314	0.7
199.03951	1.4
199.07658	1.1
203.07198	0.5
209.05991	0.7
211.07581	0.6
213.05513	0.9
215.03543	0.8
215.06972	0.5
221.10725	0.8
223.07568	0.6
225.05577	1.4
226.08655	0.4
227.03464	1.6
227.07068	0.6
227.09402	0.5
235.07568	0.8
237.05522	1.4
239.03496	0.5
239.07182	0.6
239.20490	0.5
241.05040	1.3
242.11774	13.3
247.07600	1.0
247.70418	0.4
251.07135	1.3
253.05013	1.7
253.08798	0.6
255.06549	3.2
256.05939	0.5
263.03461	0.4
263.07031	0.8
265.04993	2.2
267.06613	1.3
269.04468	0.9
271.06192	1.0
274.18057	4.6
275.07074	0.7
279.06644	1.2
280.36844	0.5
281.04492	4.1
281.07574	0.5
283.06003	2.8
284.05731	1.2
284.09253	1.6
285.09692	1.3
293.04605	1.8
293.07867	0.7
295.06119	0.8
296.09479	0.6
297.07635	0.5
298.07251	0.5
299.05713	1.8
302.17496	5.8
303.06531	0.7
305.08209	0.7
307.05798	2.4
311.05551	1.8
313.07056	0.4
316.15454	1.2
317.15939	0.6
319.06207	0.7
320.18576	7.4
321.07584	1.8
322.07489	0.5
323.05417	0.9
323.08951	0.9
325.07263	0.7
329.07614	0.4
331.06107	0.6
331.17920	1.7
333.07700	0.9
335.05569	1.1
339.08649	0.5
345.07559	0.5
349.07336	1.1
349.11664	0.8
351.08719	1.2
357.07819	0.6
359.09229	0.5
361.07208	0.7
371.09235	1.2
375.08810	0.9
376.21301	0.8
377.06415	3.8
379.08182	0.5
387.08856	1.0
389.10400	0.6
394.22269	27.9
395.07666	0.5
398.07834	0.8
399.08698	2.2
402.07214	0.9
403.08081	2.0
404.09158	0.4
405.05692	0.9
415.08032	3.3
417.09741	5.0
419.07739	0.4
420.10825	1.9
421.09326	3.1
429.10468	0.4
431.11227	1.3
433.09204	24.6
438.12146	2.9
438.24945	5.2
441.09921	2.0
445.09219	7.5
450.11887	15.2
451.10825	0.6
455.11435	0.8
457.09344	0.6
459.10730	5.5
460.11401	0.6
462.11847	3.4
463.10272	8.9
469.09521	0.5
473.12564	4.0
475.10876	0.5
480.12958	10.4
483.10992	1.4
487.10269	8.9
490.00742	0.5
499.10162	3.5
501.11716	0.9
504.05750	0.6
504.12915	15.3
511.10367	6.2
516.13055	1.4
517.11261	1.0
523.06293	0.4
528.12909	5.0
528.19287	0.5
529.11334	24.5
534.13995	6.1
546.14001	25.3
547.12323	2.9
556.27539	8.6
556.35498	0.5
564.15045	14.3
565.13843	1.5
582.16058	19.5
600.18103	1.2
600.29889	23.6
629.33710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05395	1.6
57.03445	2.5
57.07079	92.1
59.05003	48.6
64.53661	1.6
65.93796	1.8
67.05527	2.0
69.07073	4.5
71.08634	89.3
71.56718	1.6
73.02921	51.3
81.07066	2.3
83.08601	3.1
85.10186	100.0
87.04479	9.0
87.08089	2.1
89.06049	12.5
97.10209	2.3
98.20711	1.4
99.11745	9.1
101.09654	4.8
103.07571	4.2
105.06976	1.8
107.06910	1.6
117.09142	11.2
133.08621	4.9
141.16368	11.1
161.08115	2.4
164.93884	1.6
175.09622	2.3
185.19083	2.3
194.49753	1.7
199.20567	23.9
205.10721	3.6
213.21997	1.6
239.14914	7.0
243.23270	8.0
243.25562	1.7
249.13483	3.0
257.24738	23.3
267.14401	2.0
301.27237	2.7
467.14706	2.1
497.57870	1.9
598.45435	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	598.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90492	0.2
65.31783	0.2
70.06592	0.2
71.56649	0.2
71.57037	0.2
81.38979	0.2
85.02892	0.6
91.05474	0.4
98.00911	0.2
118.06553	0.2
119.04951	0.4
121.02866	0.5
123.04420	0.6
134.06020	0.5
135.06839	0.8
137.05981	0.5
147.06787	0.2
151.03885	0.4
151.07556	0.3
163.06299	15.8
164.07082	12.3
170.59575	0.2
176.07083	0.9
176.10771	0.3
178.08643	100.0
181.04947	0.8
192.27942	0.2
205.10957	0.5
206.11766	0.5
264.16443	0.2
295.06006	0.3
296.06378	0.3
297.06897	0.3
297.10083	0.6
298.07635	0.3
298.10544	1.0
308.06494	0.2
308.71140	0.2
312.12399	2.5
322.07944	0.2
323.08456	0.2
327.07632	0.3
337.06827	0.2
342.13290	0.2
356.08643	0.2
374.16193	0.8
382.09140	0.4
410.09488	0.2
418.18585	0.5
430.10809	0.2
436.17630	2.8
460.11563	0.4
476.13245	0.2
502.13016	0.2
536.21399	0.3
544.13971	0.3
554.25519	0.3
562.15295	0.3
580.14899	0.4
598.22888	35.3
599.23511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06561	1.0
55.01879	1.1
61.02921	1.2
68.99814	0.9
69.03413	1.1
70.06572	1.1
71.56893	1.7
73.02902	1.2
79.37463	0.9
81.03423	2.3
85.02888	1.7
103.03954	1.1
109.02901	1.9
117.06951	1.0
121.02918	1.7
122.06020	1.2
123.04412	1.0
131.04941	1.7
132.04509	1.4
135.04404	2.3
137.02351	29.5
137.03398	1.8
137.05995	1.3
147.04398	1.2
150.05484	1.3
151.03893	2.2
152.49284	0.9
157.06554	1.0
161.02367	3.2
161.05986	1.0
164.07063	1.7
174.05566	1.3
175.03862	1.3
175.07515	0.9
178.08665	5.2
184.07532	1.5
185.06021	1.6
187.03984	1.5
197.06059	1.4
199.03906	1.6
201.05551	1.8
203.03374	1.6
213.05374	1.1
215.03346	1.6
221.10568	1.1
222.05632	1.3
223.03984	1.2
224.07002	2.6
227.03403	3.1
229.05005	4.2
239.03310	2.9
241.04990	5.3
243.02760	1.4
250.04968	1.5
251.03491	1.1
252.06522	2.1
253.05051	1.4
255.02930	1.7
257.04337	5.7
265.04947	1.3
268.06058	1.9
269.04459	3.6
278.04568	2.6
278.08215	1.0
280.06171	3.4
281.04407	1.4
285.03674	1.3
287.05530	1.3
294.07761	1.6
295.06030	3.4
296.05960	5.2
297.06711	2.5
298.07092	3.2
299.05521	2.6
308.06180	2.8
311.05536	3.7
321.07596	1.6
322.07629	1.3
323.05475	2.1
325.07080	2.4
326.07278	3.7
327.07819	1.1
328.07803	2.2
333.07739	1.3
336.06088	1.2
337.07104	2.8
338.07071	2.2
340.07910	1.5
348.09396	1.2
349.06964	5.4
350.07712	3.1
360.06311	4.2
361.07147	10.8
362.07767	4.9
363.08621	5.3
373.07159	6.8
374.07611	3.4
375.08591	7.6
376.08844	1.9
377.06131	1.5
377.10333	1.6
379.08148	2.3
380.08249	1.2
382.09335	1.3
385.07092	2.1
387.08646	4.2
389.05753	1.0
389.09186	4.0
391.08170	13.3
392.08728	1.2
394.09286	1.4
394.14362	1.0
399.08505	2.8
401.06555	2.2
402.10028	8.9
403.08069	14.7
404.11725	1.8
405.06076	3.1
406.06949	1.3
407.07648	1.8
412.09247	1.9
414.09650	3.6
415.08234	4.1
416.07822	2.9
417.08606	4.7
418.09372	3.3
419.07693	11.0
424.09824	1.1
427.07910	2.8
428.11002	3.8
430.09219	37.1
431.07178	5.1
432.10861	16.4
435.07208	1.6
436.23654	1.4
439.08200	1.5
441.09982	1.4
442.09116	1.8
444.11050	4.6
445.09314	3.5
448.10498	1.9
449.08487	5.5
456.10754	6.9
457.08920	1.8
458.11850	1.4
459.11780	1.4
460.10303	69.8
461.09259	1.2
466.11060	1.2
468.10822	1.4
470.12622	6.5
472.10342	1.9
473.08936	3.7
478.11426	6.7
480.10535	2.1
484.10345	21.6
485.08881	1.5
490.11047	1.9
496.10284	5.6
498.11600	1.3
502.11325	7.6
503.09766	1.6
508.09903	4.7
511.12479	1.3
514.11285	14.2
515.09863	2.9
526.11407	9.8
532.12762	5.4
533.10535	1.7
544.12585	15.3
546.76550	1.0
552.14886	1.6
562.04431	1.1
562.13495	32.8
580.14532	100.0
581.14874	2.3
598.15472	58.0
598.22668	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	595.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.4
55.01874	8.1
55.05511	14.8
57.03451	6.4
57.07070	11.7
61.02924	3.8
67.05226	2.8
67.05521	29.3
69.03430	28.7
69.07067	42.5
69.26173	26.1
70.06614	3.9
71.04992	3.4
71.08642	5.1
72.33374	3.6
79.05497	12.2
81.03430	19.4
81.07063	100.0
83.08632	27.5
85.02916	66.3
85.03429	5.0
85.06557	13.9
87.00851	25.2
91.05479	11.9
93.07066	26.1
95.08615	98.5
97.02894	31.5
97.10197	20.7
99.04456	9.5
99.08133	5.6
105.01860	29.4
105.07021	10.7
107.08572	19.7
109.02871	19.2
109.06519	3.2
109.10171	59.1
111.04435	3.7
111.11705	20.2
117.01857	3.5
119.04916	4.4
119.08617	5.4
121.02894	5.9
121.10184	13.1
123.11725	33.8
125.13306	6.3
127.03922	45.5
127.11228	3.3
133.10127	3.5
134.12312	3.4
135.11685	12.0
137.13266	13.8
143.14346	4.1
145.04985	12.6
147.11688	5.3
149.13309	25.4
151.14806	24.0
159.02876	8.3
163.14850	13.0
165.16409	10.9
177.16483	4.6
179.18004	6.0
197.19118	3.9
204.99770	3.5
205.19507	6.7
213.03973	4.0
226.08470	3.7
231.05000	9.6
234.40048	3.6
249.25700	4.3
266.11896	18.2
267.26865	9.4
275.27365	18.7
291.26944	4.3
293.28357	49.4
295.06122	11.1
311.29507	26.8
321.07742	8.4
325.07077	4.6
337.06998	4.6
338.48386	3.6
349.06924	4.9
379.08759	4.8
383.29370	4.1
391.08398	5.8
401.30310	7.7
409.09152	9.3
419.31451	4.1
457.11591	5.2
487.29886	4.8
505.32034	8.4
523.32312	6.3
559.14514	7.2
595.28009	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	596.3583
Annotation	Kahalalide D
Peak:m/z	Relative Intensity
50.45665	0.2
55.01854	0.3
55.05506	0.4
61.02923	0.3
65.03946	1.9
67.05482	0.4
69.07071	0.4
70.20205	0.7
79.05464	0.7
81.07052	1.0
85.02886	0.7
89.06066	0.3
91.05486	31.5
107.04919	0.3
107.07359	0.5
109.06519	1.2
117.05708	0.3
118.06556	2.1
119.04954	15.5
120.08115	0.4
122.21352	0.3
130.06538	0.8
131.07298	0.6
132.08073	1.7
133.08856	0.4
134.23605	0.2
135.26357	0.3
137.05983	36.1
144.08107	0.5
145.08900	0.3
146.09615	1.5
158.09622	0.4
159.10486	0.3
160.11182	0.3
201.85019	0.3
228.17520	0.7
230.15277	0.3
256.16953	0.8
264.74570	0.3
312.26920	0.3
324.26889	2.9
340.26294	5.0
358.27582	0.5
368.25848	14.9
386.26926	11.1
404.27991	3.7
442.29547	5.6
460.30606	20.9
540.33112	0.9
550.87958	0.3
596.35840	100.0
597.36414	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09858	1.4
53.03956	2.1
53.71098	1.5
55.05291	1.8
55.05514	18.1
57.03431	6.2
57.07084	8.1
59.04986	5.8
65.03937	2.7
66.25440	1.7
67.05508	56.3
69.07069	12.2
69.60440	10.2
71.05000	17.1
71.08623	5.6
74.15031	1.8
79.05499	33.6
81.07064	83.0
83.04975	4.2
83.08616	5.9
85.06534	6.9
85.10176	6.7
91.05489	28.5
93.07051	34.6
94.40212	1.5
95.04991	3.2
95.08617	24.3
97.06527	3.3
97.10175	2.6
99.11716	2.2
103.07537	1.5
105.07048	13.0
107.08585	17.0
109.10181	13.8
111.08093	2.9
117.07021	7.8
119.08569	7.1
121.10133	13.5
123.11703	9.7
131.08578	8.5
133.10130	12.3
135.11723	8.4
138.22678	1.7
145.10138	3.6
147.11691	2.4
149.13245	6.1
151.11139	5.2
154.67897	1.6
159.11670	4.8
182.81070	1.6
183.13788	2.4
187.13275	3.7
195.06500	1.6
216.05202	1.7
239.95914	1.7
264.09985	1.7
265.10693	1.9
266.11777	4.7
269.17407	4.2
271.26239	2.3
301.20148	16.7
335.22021	2.8
335.25827	36.1
503.37320	100.0
517.38861	3.8
529.38873	5.5
547.39783	2.1
561.41565	57.7
596.27881	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	597.3039
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03941	2.0
55.05518	11.1
56.88297	1.0
57.03442	7.4
57.07069	2.3
67.05173	1.9
67.05509	26.7
69.07073	15.7
70.67501	3.0
71.08638	1.4
78.37501	1.1
79.05492	8.3
81.03426	2.8
81.07060	24.1
83.04999	1.2
83.08617	7.2
85.02902	1.4
90.25346	1.0
91.05482	6.7
93.07047	10.1
95.04955	1.1
95.08607	21.8
97.06491	1.3
97.10180	2.8
98.98470	8.2
105.07027	4.9
107.08620	5.0
109.02879	3.1
109.10140	7.7
111.08076	1.1
119.08565	4.3
121.10141	4.5
123.11718	2.5
125.09731	1.1
130.40518	1.1
133.10110	3.8
135.11710	1.7
143.08609	1.0
145.10101	2.1
147.11723	1.2
149.13280	1.1
155.01024	1.3
161.13290	1.3
162.00375	1.0
233.09737	1.1
236.69238	1.0
261.03696	2.5
263.23773	2.1
266.11838	1.2
305.64709	1.3
335.07571	1.3
337.27377	100.0
376.36411	1.1
529.15344	1.3
597.28827	3.4
597.37659	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	598.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.8
70.06593	2.9
71.56941	2.7
81.03416	5.1
85.02905	7.6
91.05471	2.5
109.02927	3.2
113.86456	2.2
119.04916	5.7
120.05181	2.8
121.02870	14.9
122.03197	8.8
123.04461	2.6
124.03928	3.3
127.03960	2.5
133.61472	2.0
135.04391	3.9
137.02359	24.3
137.06029	3.4
151.03902	2.5
153.23276	1.9
163.06282	2.5
164.07098	6.0
167.46446	1.9
171.21904	1.9
177.01881	2.9
177.51926	2.0
178.08641	17.1
179.90923	1.8
187.04088	2.1
189.01852	3.7
198.39275	2.1
203.03391	4.6
204.03909	2.3
207.02922	3.5
207.09071	4.9
208.09515	3.0
208.99051	1.9
215.03381	3.2
219.02921	2.8
220.03412	2.6
221.10693	5.2
222.11201	3.1
227.03406	4.5
229.04915	4.5
241.04961	4.4
257.04309	3.2
267.11203	2.7
269.04446	4.4
269.07343	2.5
271.02710	2.9
280.06436	3.1
284.06384	2.5
294.08295	2.3
295.05975	18.6
296.06259	31.8
297.06595	15.5
298.06924	14.1
307.05945	8.2
308.06369	15.9
309.06726	15.0
310.07172	11.0
311.08109	3.3
312.08444	2.9
312.12204	6.1
314.07492	2.7
315.07895	3.4
320.06216	4.2
321.07343	6.1
322.07877	11.5
323.08466	8.9
324.05316	2.4
324.08673	9.0
325.06772	11.0
326.07431	26.2
327.07855	16.0
328.07956	14.9
330.08566	2.9
333.07544	2.3
334.07904	3.5
335.08563	3.5
336.09048	5.9
337.06989	7.6
338.07092	15.6
339.07742	10.6
340.08069	11.5
346.07828	3.1
348.09412	4.2
349.07062	9.5
350.07083	11.5
351.07797	7.7
352.08432	14.4
354.09473	5.9
356.08508	3.0
357.08667	3.4
358.08792	3.5
361.06931	10.6
362.07373	8.5
363.08316	8.2
364.08527	6.4
366.10382	3.8
373.07004	6.6
374.07263	4.4
375.08411	6.4
376.08551	6.0
378.09671	3.0
379.08139	5.4
380.08353	13.8
381.08783	9.8
382.08978	15.9
387.08319	2.5
389.09595	3.4
391.08066	14.2
392.08252	4.0
393.08636	6.4
394.08994	12.0
399.08499	2.5
401.06485	2.3
402.09839	8.7
403.08118	13.7
404.08206	5.8
405.05963	3.5
406.08954	10.7
407.07666	3.6
410.09488	7.8
411.09750	7.9
412.09970	16.1
412.14731	3.2
415.08331	2.7
416.08093	3.5
417.08661	5.0
418.09482	4.6
419.07590	12.0
422.09451	4.6
424.10110	7.0
427.08832	3.0
428.10471	7.3
429.10641	7.5
430.09299	35.2
432.10663	8.0
436.11771	3.5
440.10635	4.1
441.10486	4.0
442.10495	9.9
444.10532	3.5
448.10742	4.5
449.08853	4.4
456.10681	6.2
457.11111	3.6
458.11697	13.5
459.12106	14.4
460.10846	74.0
466.10861	3.2
470.12372	3.5
473.08865	2.8
476.12341	2.6
478.12762	14.4
482.11359	3.4
484.11087	25.0
496.10956	4.4
498.11743	2.5
502.13464	11.1
508.11374	4.7
512.13055	3.5
514.12933	20.9
524.12866	4.2
526.13049	18.9
532.14081	9.5
533.10809	2.7
542.13348	3.4
544.13580	26.4
551.11896	3.5
552.15259	2.6
560.15094	2.6
562.14685	42.1
580.14734	100.0
598.15381	54.8
598.23334	7.4
601.25311	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	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01867	0.8
55.05515	7.8
57.03194	0.5
57.03447	7.5
57.07068	0.8
63.44249	0.5
65.03940	1.6
67.05510	33.1
69.03423	1.1
69.07074	7.8
70.03053	2.6
79.05497	17.8
81.03432	3.8
81.07059	28.5
83.04977	0.9
83.08621	3.5
85.02900	1.6
85.06544	0.7
85.55286	0.5
87.04501	0.6
91.03981	0.6
91.04974	0.9
91.05489	10.7
93.06475	1.2
93.07048	18.9
95.04975	1.8
95.08611	20.9
97.06533	0.9
97.10179	1.5
98.98466	10.5
99.08080	0.7
104.10762	0.8
105.07035	7.0
107.08595	8.5
109.02914	2.9
109.06509	1.2
109.10168	9.1
111.07976	0.8
117.07013	1.8
119.08600	4.7
121.06496	0.7
121.10138	7.7
123.08094	0.6
123.11721	2.6
127.03912	0.6
131.08560	1.7
133.10112	3.5
135.11694	4.5
137.06044	0.5
138.92690	0.6
145.10118	2.2
147.11681	1.9
149.06018	0.9
149.13245	2.5
155.01042	2.3
159.11739	1.0
161.13312	1.2
163.06047	1.2
163.14890	0.7
173.02156	1.5
173.13306	1.2
184.07445	0.7
191.08614	1.0
202.08617	0.6
208.11153	1.3
219.08000	0.6
226.08653	0.7
236.10684	1.2
237.07956	0.6
243.21217	1.7
249.09227	0.7
261.03662	4.3
261.22101	3.0
264.10248	2.0
266.11752	7.8
295.06076	1.3
298.14423	0.7
307.06116	0.9
317.06396	0.6
317.24802	0.8
318.14700	0.8
325.07101	0.7
335.07516	1.6
335.25812	100.0
349.07166	0.9
379.08069	0.7
457.11456	1.3
528.08728	0.6
559.13885	0.7
563.25189	1.7
595.28027	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	595.2806
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
52.98801	0.3
55.01860	0.4
65.03938	0.6
67.05489	0.5
70.14944	1.4
71.04971	0.4
73.63879	0.3
79.05486	1.1
81.07050	0.4
85.83604	0.3
91.05486	17.8
93.07056	0.5
97.06533	0.7
103.05448	0.5
104.05006	0.4
104.10781	0.4
105.07030	0.6
110.07331	0.3
115.05459	0.5
117.06986	0.5
118.06564	0.8
119.04951	18.9
121.02847	0.4
129.88957	0.4
130.06549	3.0
131.04933	0.8
132.08078	0.8
135.04434	1.2
135.08073	0.6
137.05974	2.8
143.08563	0.4
144.08060	0.7
145.06496	0.6
149.05991	81.0
152.06209	0.5
153.07007	0.9
158.06024	0.4
161.09601	0.5
165.07021	3.4
166.07816	1.0
167.08554	1.0
173.06012	0.5
174.05524	3.4
175.06282	1.3
176.07069	2.6
178.07790	1.5
179.08588	4.1
181.06468	0.6
181.10184	1.2
184.07571	0.6
187.06328	0.6
188.07095	1.0
189.06973	0.8
190.07686	2.4
191.08562	22.0
193.06531	2.8
193.08852	1.6
193.10356	0.6
194.07268	1.7
195.08057	1.5
200.76718	0.4
201.07097	0.8
202.08762	3.5
203.08611	0.8
204.10222	1.1
205.06480	1.1
206.09673	0.9
207.08089	4.0
208.08957	1.0
208.11215	7.6
209.05978	3.8
209.09555	0.8
213.05774	0.3
213.07780	1.0
214.08638	3.2
215.09430	0.5
216.83102	0.3
218.07285	1.5
218.09396	0.6
219.08067	23.4
220.08871	0.5
221.08246	0.6
222.06819	0.3
222.09149	0.6
223.07603	5.8
223.11189	1.3
224.08687	2.6
226.08627	3.7
234.09247	0.6
236.08549	0.5
236.10709	5.4
237.05539	0.8
237.07611	3.1
238.08693	2.2
239.07143	0.5
240.10173	1.7
249.09146	8.0
250.08589	2.2
251.09393	1.9
251.10689	2.7
252.07843	3.6
252.10208	0.8
253.08545	1.2
254.11780	0.6
256.09760	0.5
263.09448	1.0
264.10208	6.8
265.10999	0.9
266.11780	51.0
267.12531	0.4
268.09848	0.5
268.13354	0.4
276.10141	1.2
277.10977	0.8
278.11795	0.5
281.11823	1.1
289.10971	0.5
290.11819	1.3
290.86322	0.3
292.13419	0.6
298.14395	100.0
299.14700	0.7
302.11719	0.6
306.25156	0.4
314.11771	0.7
318.14929	0.6
325.07159	0.6
342.14978	0.6
356.16547	0.8
360.15982	1.1
376.15768	0.5
378.16919	0.8
406.20145	2.1
531.23090	2.8
541.12579	0.4
563.25519	5.0
595.28064	86.7
596.28448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
58.12521	0.8
67.86506	0.8
69.03424	1.2
70.60119	0.9
71.23296	1.3
76.40611	0.8
79.60165	0.8
85.02897	1.3
87.10378	0.7
88.50793	0.8
115.05447	4.8
119.04974	1.6
121.02890	4.2
136.05153	0.9
137.02335	1.2
137.05992	2.7
143.04936	17.8
147.04471	1.1
149.26967	0.9
151.07547	26.5
159.02440	0.8
160.05164	1.6
163.06261	6.7
175.07550	13.9
178.08640	100.0
195.02898	0.9
203.03323	1.5
207.02882	1.0
257.08115	1.9
271.05994	1.9
283.05951	6.6
284.06699	1.2
294.05325	1.3
295.05966	10.6
297.07742	1.1
307.05997	5.3
308.06821	1.5
309.07413	4.3
313.06992	5.2
313.14380	5.2
321.07526	3.0
323.05536	1.2
323.09003	1.5
325.07071	7.6
326.57324	0.8
330.17004	68.5
333.07382	1.2
335.05368	1.2
335.08942	1.7
336.06400	0.9
337.07053	8.1
349.07013	5.6
351.08618	1.6
361.06958	2.7
363.08679	1.6
367.08209	1.7
371.07568	1.0
373.07144	1.2
375.08533	1.2
379.08020	4.7
391.07870	4.1
395.07858	0.9
397.09189	1.2
403.07947	2.3
409.09128	4.0
415.10019	2.6
421.09048	3.3
426.28577	0.9
427.09973	3.2
434.74866	0.8
436.24084	0.9
439.10187	3.9
457.11523	6.0
475.12567	1.2
481.11469	4.9
493.10785	1.1
499.12491	1.6
505.11319	1.3
511.12231	2.5
523.11987	3.3
541.13354	5.2
559.14655	5.4
577.14929	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08015	0.5
53.03913	1.2
55.01836	1.7
55.05490	1.2
56.96545	0.9
57.03443	3.6
61.02934	5.1
67.01858	4.6
67.05466	2.4
68.99792	3.1
69.03436	4.2
69.07018	1.6
70.06562	1.3
71.01311	0.7
71.04951	1.0
71.56688	0.6
73.02930	3.7
79.05446	1.9
81.03420	3.9
81.07069	5.8
83.01331	0.7
83.04971	1.5
83.08596	0.8
85.02912	18.1
85.06508	0.6
86.09681	0.6
91.03915	2.4
91.05485	4.0
93.07012	2.8
95.01289	2.8
95.04920	2.5
95.08615	5.4
97.02390	0.8
97.02896	8.4
97.06504	2.0
98.06068	0.7
98.97560	0.7
99.04411	1.6
101.02398	0.8
103.03912	1.6
103.05475	6.0
105.03297	0.7
105.07031	3.2
107.04920	2.2
107.08585	1.5
109.02900	4.8
109.06466	1.4
109.10136	1.1
111.00761	1.1
111.08042	2.1
113.02336	0.8
119.04915	2.4
119.08547	1.8
120.08081	0.8
121.02901	4.8
121.06529	1.5
121.10094	0.7
123.04375	1.5
123.08067	0.6
125.02313	1.3
125.14470	0.6
127.03915	5.7
129.01816	1.4
131.04942	17.1
131.08578	1.0
133.10104	1.8
135.04437	1.1
137.05975	3.7
141.01862	7.4
143.08571	0.6
145.02875	0.9
145.04958	4.0
147.04456	1.1
147.11684	1.5
149.02385	0.8
149.05943	1.6
151.03868	1.4
151.07545	1.1
153.01845	67.7
157.10234	0.6
159.02956	0.7
161.13252	2.0
163.03908	1.2
163.06113	1.0
165.01845	1.9
165.07100	0.7
167.07072	1.6
171.02904	24.5
175.03879	0.9
177.01834	2.3
177.05447	1.1
178.08603	1.6
179.03337	1.0
179.08646	0.7
179.14296	2.2
183.02892	1.0
183.06479	0.7
189.01840	1.7
191.03413	3.2
191.07022	0.7
191.08565	1.9
193.08789	0.9
193.12334	0.8
195.02907	21.5
201.07671	0.7
203.03397	1.8
207.03090	1.0
207.06534	2.6
208.11177	2.5
211.13217	0.7
215.06981	1.0
217.12285	1.2
219.02931	3.1
219.08118	1.2
226.08659	1.8
227.03265	0.7
231.02895	1.3
233.04456	0.8
235.13316	2.0
236.10738	2.7
237.07880	1.2
238.08629	0.6
239.07150	0.8
240.10172	0.8
249.09221	1.2
250.08733	1.4
251.09447	1.1
253.14368	3.2
253.17946	1.2
255.06557	1.2
257.08115	100.0
261.03967	0.8
263.09259	0.7
264.10269	3.6
266.11823	20.8
269.08118	3.0
271.15823	0.9
271.19092	4.3
281.08087	4.7
283.05975	3.0
291.06580	0.7
293.08160	0.7
294.05325	1.4
295.06052	10.9
296.06754	1.0
297.07639	1.5
298.14447	2.0
299.09158	11.7
307.05997	7.0
308.06891	1.4
309.07578	2.5
313.07181	1.6
319.06094	0.7
320.06824	0.9
321.07678	4.2
322.08344	1.5
323.05594	1.2
323.09039	6.8
325.07089	10.3
325.10754	0.8
333.07895	0.8
335.09085	3.2
337.07104	6.1
345.07544	0.8
347.08688	2.3
349.07010	5.1
351.08661	1.7
353.06384	0.7
353.10291	1.2
361.06958	3.0
363.08704	2.0
365.06210	0.8
365.10379	2.4
367.08051	0.8
373.06799	1.0
375.08575	1.6
379.08060	3.2
383.11368	1.7
391.08102	5.7
393.09879	1.2
397.09229	0.8
397.22662	0.8
401.12427	0.8
403.08145	2.4
409.09161	5.2
415.23492	1.6
421.09235	3.6
427.10324	3.1
439.10455	5.0
441.09976	0.7
457.11313	6.5
463.10181	1.0
474.19351	1.0
475.12076	2.1
479.19739	1.3
481.11322	4.1
487.10608	1.1
493.11383	1.9
499.12341	1.8
505.11292	1.7
511.12265	2.3
523.12579	4.8
529.13269	1.5
541.13300	6.3
559.14575	7.1
563.25714	2.2
577.15454	1.7
595.28308	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	595.166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86556	1.8
53.03928	2.9
57.03443	3.7
62.63665	2.2
63.67208	2.2
65.03951	2.1
85.02914	5.0
107.04951	2.7
108.16143	1.7
119.04941	8.8
121.02863	32.6
135.04431	2.0
147.04388	2.0
159.04390	2.3
163.03989	3.0
175.03944	2.3
177.01830	6.1
179.03351	3.4
187.03786	2.2
189.01805	12.3
191.03386	4.9
195.02908	4.7
201.01811	1.8
201.05537	2.1
203.03392	16.7
204.04039	2.0
207.02895	5.0
215.03439	3.6
217.01280	1.9
217.04997	5.5
219.02711	2.3
227.03400	3.9
229.04968	3.7
231.02835	3.4
233.04497	2.2
243.02863	2.8
251.03450	2.1
255.02731	4.7
267.06622	3.4
268.07220	3.8
271.06024	6.3
278.50769	2.3
279.06482	6.7
280.07327	3.3
281.08017	4.3
283.06015	20.2
284.06894	3.4
293.08093	4.2
294.05176	14.1
295.06012	100.0
295.09375	4.8
296.06757	7.6
297.07443	14.2
307.06027	74.2
307.09531	4.9
308.06821	17.3
309.07538	31.1
313.06992	11.5
319.06009	6.5
319.09674	2.8
320.06873	5.0
321.03802	3.3
321.07547	44.0
322.08127	9.2
323.05411	8.4
323.09128	10.5
325.07074	88.2
326.07825	2.9
333.07516	8.7
334.04581	2.3
335.05408	8.2
335.09140	24.6
336.06317	7.5
337.07080	50.8
337.11072	3.3
339.08597	6.7
345.07578	6.2
347.05453	4.4
347.09189	11.2
349.07028	39.3
349.10715	2.7
350.07870	4.0
351.08649	19.7
353.06537	6.9
355.08148	4.8
361.07108	17.2
363.08664	21.2
365.06500	7.1
365.10318	8.1
367.08182	6.9
373.07181	9.3
375.08783	14.1
377.06390	8.1
377.10547	3.2
378.07288	2.7
379.08090	26.8
381.09589	2.3
385.06937	5.4
387.08539	3.2
391.08157	45.1
393.09818	12.7
395.07138	2.9
397.08966	2.5
403.08011	15.2
405.09595	4.0
409.09149	42.7
417.09698	4.2
421.09152	32.2
427.10056	18.6
428.72635	2.6
431.11475	2.8
435.10529	2.9
439.10324	58.5
445.09924	2.7
457.11328	43.0
463.10135	10.3
475.12122	17.6
481.11447	34.5
487.10312	5.6
493.11292	21.3
497.10873	3.4
499.12485	9.3
505.11359	13.4
511.12476	21.5
523.12329	38.9
529.13135	2.7
541.13434	66.7
541.21674	3.2
559.14478	85.6
577.15607	15.7
607.11890	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	595.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
57.31643	0.8
69.59078	5.8
85.02909	2.3
91.05471	3.0
97.02907	0.9
108.89236	0.8
119.04965	5.0
121.02860	11.5
135.04395	1.1
145.05186	0.8
149.05960	4.3
155.00244	0.8
165.01869	1.3
171.04263	1.0
174.05661	1.4
175.06325	1.3
177.01831	3.0
189.01823	4.7
191.03360	2.2
191.08557	7.5
193.06561	0.9
193.08890	1.7
195.02946	3.4
199.03917	1.0
202.08755	2.4
203.03334	5.4
206.09627	1.0
207.02980	2.8
207.08134	1.7
208.11223	9.4
209.05910	0.9
213.07846	1.3
214.08617	1.2
215.03438	1.0
217.04971	4.1
219.02946	1.7
219.08066	5.7
221.04596	0.9
223.07516	1.4
226.08698	3.9
227.03389	1.5
231.03088	1.2
233.04382	1.0
234.09171	1.4
236.08588	1.5
236.10712	11.3
237.07834	5.5
238.08659	1.1
249.09065	4.7
250.08560	1.6
251.09386	5.2
255.02928	3.0
257.04535	1.7
257.08154	1.9
264.10196	11.3
265.10980	1.3
266.11765	100.0
268.07358	1.8
273.03943	1.3
279.06488	1.4
281.08041	1.1
282.11365	2.0
283.06003	10.2
284.06815	1.3
285.04300	1.2
292.06927	1.3
293.08078	1.9
294.05154	6.6
295.06009	51.4
296.06821	4.1
297.07788	5.9
298.14368	6.8
307.06009	37.9
308.06754	6.2
309.07550	12.5
312.06409	1.6
313.07025	2.5
317.07959	1.4
319.06107	3.9
320.06900	3.4
321.03867	1.7
321.07559	20.0
321.11169	1.4
322.08472	3.4
323.05515	4.2
323.09192	3.3
324.06314	1.4
325.07059	29.9
326.07837	1.2
333.07654	4.0
334.04678	1.2
335.05414	3.1
335.09198	13.3
336.06293	2.9
337.07031	19.7
345.07556	1.8
347.05725	1.6
347.09286	6.4
349.07111	20.8
349.11240	0.9
350.07605	1.2
350.17136	1.0
351.08636	5.5
353.06650	3.8
355.08160	1.6
361.07056	11.3
363.08710	8.9
365.06293	2.2
365.10599	2.3
367.08215	2.5
373.07071	6.3
375.08578	6.2
377.06586	3.5
378.07291	2.2
379.08105	11.6
381.09869	1.4
385.07242	2.6
387.08490	1.3
389.06064	1.3
391.08145	28.4
393.09741	2.8
395.07635	1.5
401.06421	1.4
403.07977	6.7
407.07352	1.2
409.09235	23.6
409.14383	1.9
415.09686	1.1
417.09637	1.6
419.08072	1.5
421.09100	7.7
427.10306	8.4
429.09814	1.7
435.10852	2.0
437.09036	1.3
439.10175	13.0
439.64774	1.0
445.09644	1.3
457.11359	20.4
459.10489	1.3
463.10410	5.7
475.12009	10.9
479.19891	2.5
481.11319	22.3
487.10492	3.5
493.11432	13.7
499.12344	4.7
505.11267	8.9
511.12323	18.7
523.12433	16.1
529.13727	4.5
541.13428	26.5
559.14514	35.4
563.25305	7.8
577.15918	5.3
595.17969	2.6
595.28027	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40233	1.6
57.03459	2.2
61.02921	2.4
62.78759	2.0
71.56893	2.7
74.18661	1.7
85.02910	6.5
93.03418	2.7
103.03963	3.1
109.02890	2.3
118.08220	1.8
119.04936	6.1
121.02875	27.7
137.70311	1.7
145.02859	3.2
163.03894	2.8
173.02654	2.1
177.01854	4.9
179.03412	2.2
186.31508	2.2
187.03938	2.6
189.01848	8.5
191.03407	3.5
195.02861	4.5
199.03865	1.9
203.03413	10.8
207.02904	6.3
207.09230	7.2
215.03265	3.6
217.04974	3.9
219.02928	4.9
221.10893	9.1
223.12379	2.2
229.04947	5.6
239.11763	2.9
241.04837	2.0
255.02965	2.8
257.04492	2.1
263.07108	2.3
267.11346	3.7
268.07349	3.2
279.06540	2.2
281.08063	4.6
283.05923	5.8
293.08115	2.4
294.05276	14.0
295.06033	80.8
295.09430	4.0
296.06766	5.0
297.07581	7.5
299.01431	2.0
307.06046	46.3
308.06815	14.2
309.04251	3.3
309.07532	12.7
313.07135	6.5
317.08090	2.4
319.05981	5.8
320.06790	5.0
321.07550	35.3
322.04938	2.7
322.08191	10.2
323.05478	4.2
323.09018	3.9
325.07086	100.0
333.07678	8.6
335.05606	3.5
335.09195	18.6
336.06100	3.9
337.07095	49.5
339.08368	2.7
345.07355	2.0
347.09073	12.3
349.07071	40.8
349.10687	1.7
351.08627	23.5
355.08194	12.8
361.06949	20.8
361.10751	2.7
363.08578	7.7
365.10379	15.1
367.08322	3.2
373.07104	7.4
375.08618	14.3
377.10358	3.1
379.08105	51.8
379.12747	3.6
385.07211	3.0
387.08340	2.9
389.10052	3.7
391.08112	26.8
393.14478	3.5
403.08148	21.6
409.09219	47.8
415.07956	4.7
417.09793	2.5
421.09256	20.3
427.10318	39.3
433.09528	3.0
439.10333	24.6
445.10266	7.7
457.11319	80.3
463.10095	6.2
475.12476	17.7
481.11301	32.2
487.10236	3.1
493.11807	2.7
499.12460	26.8
505.11261	4.5
511.12445	26.2
523.12366	18.1
529.13300	12.2
541.13501	22.0
559.14575	21.4
563.20337	1.9
577.15741	14.8
595.16565	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	595.1658
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
55.01897	2.9
65.03931	2.2
65.68990	1.6
69.03446	1.7
70.46764	4.5
70.47128	4.0
77.29863	1.7
85.02914	5.2
93.03387	2.0
119.04987	9.9
121.02876	34.7
124.14919	1.8
145.02863	4.3
165.01826	3.7
177.01895	8.0
189.01875	11.9
189.05452	2.5
191.03426	4.7
191.06914	2.2
195.02928	5.8
197.06166	1.9
199.03955	2.4
201.05447	3.0
203.03386	13.4
207.02908	7.1
215.03578	2.7
217.05005	7.3
219.02946	3.4
229.05019	3.4
231.03017	2.3
255.02979	5.4
267.06485	3.1
268.07391	6.1
279.06567	5.3
281.08099	4.1
283.06000	25.8
293.08054	3.9
294.05203	14.2
295.06033	100.0
296.06845	8.7
297.07532	15.5
307.06021	70.7
307.09521	4.9
308.06732	15.1
309.07547	23.2
312.06509	2.5
313.07007	5.2
317.08041	2.7
319.06064	8.2
320.06750	6.7
321.07562	36.0
322.08377	8.9
323.05466	8.9
323.09253	7.4
325.07095	72.2
326.07651	2.5
333.07565	6.7
335.05396	4.7
335.09180	26.1
336.06308	8.2
337.07104	38.4
339.08490	3.1
345.07587	6.0
347.09204	10.7
349.07050	32.0
349.10889	3.5
350.07968	4.6
351.08719	12.5
353.06540	7.8
355.07852	2.7
357.07565	2.5
360.06247	2.7
361.07083	16.5
363.08691	17.7
365.06485	5.9
365.10495	4.8
367.08206	6.1
373.06927	9.3
375.08691	8.9
377.06516	4.7
379.08142	21.9
385.06937	4.8
387.08679	2.5
391.08148	48.3
393.09576	7.1
403.08069	16.0
407.07449	2.4
409.09158	44.2
417.09570	3.7
421.09137	26.0
427.10223	18.8
439.10284	45.0
445.09457	3.1
457.11371	45.5
459.10803	3.2
463.10080	12.5
475.12039	19.0
481.11334	48.9
487.10226	7.4
493.11469	31.1
499.12283	11.5
505.11496	18.1
511.12360	33.5
523.12494	37.5
529.13397	7.6
541.13416	63.0
559.14575	79.3
577.15918	12.0
595.17017	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	595.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07568	0.8
57.03435	1.3
58.53064	1.0
68.99818	1.5
69.52708	6.8
81.03405	1.6
85.02883	3.2
88.04669	1.1
97.02888	1.4
97.13067	1.0
103.03928	1.4
109.02839	1.7
110.34556	0.9
119.04954	5.6
121.02876	21.5
145.02843	3.1
147.04440	1.4
149.02332	1.0
159.04471	1.1
163.03893	3.3
165.01822	7.8
167.03403	2.1
173.02260	1.0
177.01810	3.5
181.05006	1.5
183.02776	1.2
187.03879	2.3
189.01839	4.1
191.03407	3.3
194.00430	0.9
195.02904	2.0
199.03969	1.2
201.01913	1.2
201.05412	1.9
203.03442	6.6
205.05106	1.3
207.02884	3.5
215.03481	2.2
217.04990	2.7
219.02887	2.6
221.04398	1.0
229.04871	3.4
231.02902	1.0
233.04443	2.1
239.03270	1.0
243.02882	2.3
255.02879	2.0
257.04355	1.0
267.06531	8.5
268.07401	1.7
270.05133	3.1
271.06033	5.9
277.08658	0.9
279.06451	3.4
281.08005	10.1
283.06024	100.0
284.06729	10.2
285.04013	1.7
291.06567	1.0
293.08035	2.2
294.05167	7.1
295.06033	50.4
295.09344	3.6
296.06726	3.5
297.04358	1.4
297.07523	5.1
305.08081	2.5
307.06055	26.1
307.09451	1.5
308.06790	8.1
309.04105	2.3
309.07538	26.3
311.05383	1.7
313.07071	72.5
319.06067	2.3
319.09534	1.8
320.06940	1.5
321.07590	17.6
322.08353	6.7
323.05667	1.6
323.09149	20.1
325.07056	41.5
333.07681	9.2
334.08331	1.3
335.09064	7.6
337.07065	56.7
339.08612	1.3
346.08182	1.3
347.09192	7.0
349.07083	31.6
351.08624	13.3
353.06879	1.3
355.08112	6.2
359.09164	1.1
361.07053	18.6
361.11151	1.8
363.08578	3.2
365.10248	4.8
367.08127	8.9
371.48767	1.3
373.06973	3.3
375.08554	5.7
379.08102	39.1
385.06998	2.0
387.08325	1.2
389.10217	2.6
391.08096	15.3
393.09924	1.2
397.09271	15.1
401.10089	1.5
403.08249	9.6
409.09229	18.9
413.10443	1.3
415.10345	13.7
417.09473	2.0
421.09134	11.6
427.10297	18.7
433.10281	1.8
439.10318	11.8
445.11295	11.2
457.11316	42.1
463.10544	2.1
475.12448	34.4
481.11395	15.6
487.10385	2.2
493.10925	2.2
499.12366	24.9
505.11090	4.3
511.12439	14.8
523.12329	11.4
529.13452	26.0
541.05597	1.5
541.13434	17.7
559.14569	27.2
577.07031	1.6
577.15601	25.8
595.16565	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	595.1658
Annotation	Vicenin-2
Peak:m/z	Relative Intensity
58.74862	1.5
61.02910	2.1
63.12025	1.6
70.60636	5.7
85.02895	6.6
103.03931	2.5
105.03444	1.8
105.15154	1.5
109.02870	1.9
119.04961	5.3
120.20854	1.8
121.02873	22.3
130.33749	1.7
135.04469	2.0
145.02855	3.0
175.03938	2.2
177.01811	2.9
177.05504	2.2
187.03957	2.4
189.01846	8.6
191.03372	5.2
195.02852	3.7
201.05457	2.8
203.03421	9.6
207.02910	6.1
207.59607	2.2
211.03799	2.7
215.03329	2.6
217.05066	3.0
219.02821	4.3
221.04466	2.1
229.05063	4.1
233.04488	2.3
255.02992	2.1
257.04352	1.9
279.06366	4.0
281.08133	3.8
283.06042	5.1
293.08109	3.3
294.05295	16.8
294.08417	3.1
295.06024	91.8
296.06671	4.7
297.07516	7.6
305.08093	2.4
307.06006	50.7
307.09491	3.8
308.06686	13.2
309.07550	15.4
313.07050	4.0
319.06024	5.0
320.06735	2.7
321.07587	30.0
322.08466	9.5
323.05502	4.2
323.09039	4.5
325.07071	100.0
329.08194	2.9
332.06912	1.9
333.07626	8.4
334.08035	1.9
335.05432	2.1
335.09100	20.4
336.06335	2.0
337.07071	67.5
337.11044	4.4
339.08597	2.7
345.07449	2.5
347.09039	13.4
349.07071	52.7
350.07681	2.4
351.08649	27.9
355.08167	16.0
357.07385	2.1
361.07001	22.0
361.10797	3.4
363.08569	10.2
365.10291	14.2
367.08072	5.3
373.07153	9.6
375.08704	15.4
379.08176	55.9
385.07016	5.3
387.08624	2.8
389.10220	6.1
391.03745	3.0
391.08194	36.3
393.09723	3.0
399.08698	2.6
401.10233	4.9
403.08163	31.0
409.09177	35.2
415.08246	5.7
417.09726	5.0
421.09164	26.2
427.10376	34.7
429.09512	2.8
432.07935	1.9
433.09430	3.3
439.10284	22.0
445.10251	7.0
449.11887	2.7
457.11334	66.3
463.10205	6.0
475.12485	19.6
481.11423	22.9
487.10037	2.5
493.11203	4.3
499.12576	19.8
505.11121	5.8
511.12479	23.3
523.12494	23.3
529.13519	13.8
541.13428	24.1
559.14551	23.6
577.15662	15.3
595.16046	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
55.01870	0.6
55.09831	0.1
57.03446	1.0
59.05005	0.1
61.02927	0.2
65.03935	0.2
67.05518	0.3
68.99806	0.3
69.03076	0.3
69.03435	4.0
69.07071	0.6
69.27390	1.3
71.01359	0.3
72.08123	0.2
73.02912	0.6
73.82119	0.1
79.05488	0.4
81.03424	0.5
81.07061	1.3
82.07382	0.2
83.08624	0.3
85.02914	1.7
85.06547	0.4
87.00826	1.3
91.05482	1.5
93.07019	0.3
95.04972	0.3
95.08614	0.9
96.08945	0.2
97.02897	3.8
97.10162	0.2
98.77429	0.1
99.04439	0.2
99.08083	0.4
99.77571	0.2
101.02377	0.5
103.05434	0.2
104.04993	0.8
105.01901	0.7
105.03382	0.1
106.02961	0.2
107.04964	1.3
107.08594	0.4
108.05721	0.5
109.02897	0.3
109.10167	0.6
109.10954	0.1
110.10491	0.2
111.04462	0.1
111.08054	0.2
115.03941	0.9
115.05453	0.7
117.05515	0.2
118.06548	0.2
119.04935	1.2
119.08604	0.2
121.06505	0.5
121.10171	0.4
122.03656	0.3
123.11692	0.3
124.03989	0.3
127.03906	0.6
132.04466	4.5
133.05188	0.2
133.10114	0.2
134.05989	0.4
135.04414	0.4
135.06783	1.0
135.11682	0.2
136.05196	0.8
137.05978	1.1
143.03354	0.8
143.04927	2.5
145.04935	0.2
145.39877	0.1
147.11728	0.2
148.07538	0.3
149.04723	0.3
149.05936	0.2
149.13284	0.4
150.06772	0.2
151.07545	28.4
153.05486	0.2
159.02875	0.4
160.05219	0.3
161.05974	0.2
162.05507	0.4
163.06290	12.6
164.07076	1.9
164.08337	0.4
165.09128	0.5
175.07562	2.0
176.07042	1.0
177.07863	0.7
177.16389	0.2
178.08636	100.0
179.08966	0.5
189.09201	0.3
194.08145	4.8
195.17392	0.2
213.18475	0.5
214.18845	0.3
220.06181	0.2
238.06999	0.2
264.10153	0.2
267.10187	0.2
282.11389	0.4
284.12802	0.2
291.26736	0.3
292.27188	0.3
297.13516	0.2
298.11310	0.2
309.27759	0.4
310.28308	0.5
312.12189	1.1
313.14355	1.3
328.15442	9.7
328.29202	0.3
330.16989	6.2
346.16449	2.0
356.07169	0.2
383.09302	0.2
442.13171	0.3
486.12271	0.4
594.21729	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
53.09855	0.4
55.01891	2.3
55.05505	0.7
56.05031	0.6
57.03440	4.6
59.02112	0.4
61.02920	0.9
66.86736	0.5
67.05492	1.3
69.03435	19.5
69.07057	1.0
70.06591	0.7
70.07397	0.5
71.01340	2.0
71.57150	0.9
72.08136	0.7
73.02915	1.4
79.05492	0.7
81.03411	1.7
81.07060	2.7
83.20121	0.5
85.02912	5.3
85.06538	0.7
86.09694	0.6
87.00832	4.6
87.04466	1.0
91.03954	0.7
91.05481	1.9
93.07038	1.1
95.04960	0.7
95.08596	1.8
96.08978	0.6
97.02895	11.9
97.10202	0.5
101.02383	2.0
105.01863	2.4
105.07022	0.8
107.08594	0.6
107.14928	0.5
109.02879	1.8
109.06499	0.7
109.10152	1.4
115.03934	4.0
120.08109	0.8
121.06502	1.1
121.10139	1.0
123.11681	0.5
124.03964	0.6
125.05936	0.6
127.03928	2.9
129.10175	0.4
135.11577	0.5
137.02280	0.8
137.05978	5.8
137.13231	0.5
143.03412	3.9
149.06030	0.8
149.13184	0.6
150.71001	0.6
151.04001	0.7
151.07553	2.4
153.05478	4.7
153.06870	0.7
159.02887	1.4
161.05914	0.6
164.33778	0.4
165.07048	1.4
175.07518	1.2
177.05473	1.0
178.05795	0.5
178.08647	4.1
181.06493	1.4
181.10237	0.4
182.07330	0.5
183.08057	2.0
185.09738	0.5
190.08760	0.5
193.06403	0.7
194.07170	0.5
195.08051	2.3
196.09665	1.8
197.05984	1.9
199.07565	1.1
201.03876	1.0
207.08041	0.9
208.08960	0.5
209.06047	0.7
209.09630	1.4
210.10437	2.1
211.07550	8.4
212.08331	1.8
213.09055	1.0
221.05994	0.6
222.10417	1.2
223.07593	3.2
224.08287	2.6
225.09134	4.4
226.09975	2.3
227.07123	1.0
227.10718	2.1
228.10133	0.6
235.07576	1.6
236.08374	0.9
236.10742	0.5
237.09166	3.3
238.09908	5.0
239.07005	1.8
239.10641	1.9
240.07961	2.2
240.11458	1.0
241.08578	7.8
241.12329	2.0
242.09523	1.0
243.06512	0.5
243.10161	1.4
248.08192	0.6
249.09015	0.8
250.10057	2.6
251.06984	1.3
251.10776	1.0
253.08678	3.2
253.12187	1.0
254.09392	5.0
254.11699	0.7
255.06561	7.7
255.10184	30.0
256.06964	6.0
256.10980	5.9
257.08038	2.4
259.10010	0.5
264.10287	0.8
265.08493	0.9
266.09372	0.9
266.11935	0.7
267.10196	6.8
268.11066	3.2
269.08206	1.8
269.11716	13.1
270.08887	2.3
270.12527	7.8
271.09650	8.0
272.10443	3.3
272.20154	0.6
274.12048	1.1
279.10220	1.6
280.11063	2.3
281.08643	0.8
281.11697	5.4
282.12662	5.6
283.09448	2.2
283.12225	0.7
284.10425	4.5
285.11227	9.4
286.12036	11.8
287.12784	1.1
296.10165	1.2
296.12961	1.5
297.13678	1.9
298.11758	2.2
299.12854	3.2
300.12607	1.7
301.13608	1.6
311.12671	2.4
313.14404	1.5
314.13858	13.2
315.14642	5.3
328.15500	7.1
329.13104	0.5
329.16220	36.4
330.17004	100.0
331.17310	0.6
345.14532	0.5
346.16501	2.5
383.09705	5.3
482.26309	0.8
504.27728	0.9
504.53796	0.5
576.27521	1.0
585.29626	0.7
594.21655	4.4
594.31989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
54.53647	2.2
55.01870	8.8
55.05518	17.2
57.03432	9.2
57.07074	6.6
58.06604	2.5
61.02930	6.2
65.03947	3.3
67.05509	38.4
68.99805	3.1
69.03436	40.1
69.07075	35.0
70.06591	8.1
71.04990	7.9
71.08635	2.8
71.57379	2.8
73.02920	6.5
79.05497	22.3
81.03428	28.8
81.07062	100.0
83.04983	3.6
83.08628	15.1
84.04508	3.8
84.08141	20.1
85.02914	77.9
85.06556	27.4
86.09737	5.9
87.00376	3.5
87.00843	36.1
87.04456	3.6
87.53271	2.3
89.06013	3.1
91.05470	15.7
93.07056	34.3
95.04967	7.0
95.08615	82.3
97.02905	28.5
97.10165	13.1
98.06047	2.2
99.04455	11.1
99.08096	17.8
103.05425	2.8
105.01868	29.8
105.03399	3.4
105.07041	18.3
107.04965	4.0
107.08602	36.7
109.02897	28.3
109.06490	4.9
109.10162	62.0
111.08100	6.9
111.11729	6.1
113.09644	8.0
117.01875	2.4
117.07080	3.7
119.04961	4.8
119.08587	14.9
120.08122	7.1
121.06509	5.4
121.10148	28.5
123.11710	32.0
125.09640	5.5
125.13239	3.2
127.03915	50.8
127.11234	4.2
129.01865	2.6
129.10213	3.8
130.06525	2.3
130.08600	3.0
131.08525	4.8
131.39520	2.4
133.10152	16.1
135.04387	3.0
135.08151	2.7
135.11710	23.7
137.06013	10.1
137.13293	13.6
139.11234	4.1
143.08627	2.7
145.02853	3.4
145.04965	16.3
145.10121	4.5
147.04347	4.1
147.11716	7.5
149.05983	3.6
149.13260	37.8
151.03993	2.7
151.14842	5.3
157.10172	2.8
159.02940	8.7
161.09563	2.5
161.13361	5.3
163.07513	2.5
163.14841	23.9
164.07108	3.2
165.16345	2.7
171.11620	3.7
175.03935	6.6
175.14755	3.2
177.01955	2.8
177.05490	5.4
177.16396	16.4
179.03474	3.0
179.18005	3.5
185.15407	2.3
189.01855	2.9
189.16411	4.9
191.17970	9.5
195.03029	3.2
203.17972	5.4
207.06494	12.9
210.55023	2.9
213.03955	4.8
217.19502	6.9
219.21040	3.3
231.05020	11.5
235.20512	5.0
249.06157	4.8
255.06435	12.4
265.25217	2.8
268.19061	4.3
273.25848	19.0
279.06641	8.1
279.09692	2.3
279.26736	5.1
291.06387	4.9
291.26849	62.6
292.07275	2.7
305.07828	2.8
309.07523	6.2
309.24438	1.5
309.27872	41.2
311.05502	3.9
319.09702	3.7
323.05542	2.8
325.07120	4.3
325.10510	2.9
327.29120	17.4
332.14438	2.5
335.05307	4.0
337.07220	3.9
339.05045	5.5
345.27328	12.3
363.08481	3.0
365.06482	3.8
369.05902	4.7
375.08481	3.7
379.08072	2.6
393.10052	3.5
399.29248	4.0
407.07492	2.7
409.08652	3.1
417.30002	3.2
425.08746	2.9
443.13721	4.1
460.99017	2.5
465.11346	4.0
473.14319	8.3
477.11646	6.8
507.12866	5.1
525.14020	4.3
527.15784	5.3
536.74225	3.3
539.15125	4.6
557.16302	3.5
575.17139	7.1
593.17590	12.2
593.26233	6.8
593.31750	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	593.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
53.43188	1.6
55.01862	6.3
55.05512	12.6
57.03432	6.1
57.07074	12.1
59.04983	2.2
61.02919	5.0
65.03938	1.8
67.05510	31.9
68.99787	2.3
69.03436	20.5
69.06718	2.4
69.07071	27.6
70.06583	3.1
71.04988	5.3
71.08625	2.3
71.57181	2.1
73.02912	4.1
79.05502	16.4
81.03423	15.8
81.07064	100.0
83.04974	3.0
83.08612	12.1
84.08128	2.5
85.02428	2.7
85.02908	40.9
85.06546	38.1
85.10205	1.5
85.29020	1.3
86.09709	2.4
87.00834	17.5
87.04462	2.9
91.03923	2.1
91.05481	10.0
93.06561	1.9
93.07054	24.7
95.04977	3.8
95.08615	81.3
97.02900	17.0
97.06538	4.2
97.10165	11.5
99.04465	6.8
99.08091	6.7
105.01868	13.9
105.07028	9.3
107.05003	3.0
107.08604	31.7
109.02872	13.1
109.10164	55.0
111.04443	1.9
111.08105	7.3
111.11733	10.0
113.09635	2.0
115.03948	1.9
115.07568	2.0
117.07069	2.3
119.04958	2.8
119.08598	8.3
121.06486	2.2
121.09415	2.0
121.10159	19.4
123.11721	38.9
125.09624	5.0
125.13264	3.2
127.03927	31.0
127.11230	2.2
129.01857	2.4
131.04890	2.4
131.08560	3.4
133.10115	5.0
135.11700	18.3
137.02278	2.2
137.05952	4.9
137.13271	22.1
139.11188	4.7
143.08624	2.0
145.04977	8.6
145.10123	3.8
147.11696	3.4
149.13274	27.3
151.07478	1.8
151.14845	9.4
153.12706	4.0
159.02916	4.3
159.11702	2.6
161.13264	4.8
163.03918	1.4
163.14828	20.7
164.07068	1.8
165.09097	2.9
165.12811	1.9
165.16371	4.7
167.07130	1.9
167.14331	2.7
171.11520	1.7
177.05396	2.7
177.16428	8.7
181.15979	1.8
189.16367	2.5
191.17986	7.8
195.02858	1.8
199.07613	3.1
203.17929	5.1
205.19528	2.5
207.06566	3.0
209.19075	1.9
213.18468	1.7
217.19543	3.9
231.04999	7.6
235.20404	2.1
247.24210	4.2
249.06091	1.9
255.06543	28.8
261.25809	4.4
264.10175	4.0
265.25186	1.8
268.19003	1.8
269.17490	5.0
273.25809	10.9
277.25058	1.7
279.26810	11.4
284.06955	2.6
291.26807	30.2
297.27945	11.7
299.09070	4.1
309.24338	1.7
309.27866	30.7
311.05566	1.8
326.13782	1.9
327.28986	13.9
345.29800	3.4
353.06323	1.7
381.27725	2.1
399.29102	3.7
503.29944	1.8
507.62744	1.7
521.31012	2.4
593.19464	2.2
593.35028	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	593.2757
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
56.32297	0.3
69.54798	2.1
83.77579	0.3
83.78713	0.3
110.77081	0.3
114.78709	0.3
222.16235	0.3
229.77122	0.4
349.27783	0.4
388.17175	0.5
389.17807	0.9
402.18466	0.8
403.19272	3.2
404.19983	0.7
405.20767	1.4
406.21613	0.4
410.20624	0.3
414.18066	0.3
416.20490	0.7
417.21378	3.4
418.21771	2.1
419.22470	3.5
430.17590	0.9
431.18173	8.2
431.23630	0.7
432.18781	2.1
433.24249	5.7
434.24759	0.9
444.19177	0.4
445.19946	10.5
446.20825	5.0
447.21765	5.5
449.23141	0.5
458.20584	0.4
459.21564	3.2
460.22601	11.4
461.23358	9.7
462.20459	0.6
473.23917	2.1
474.24081	0.6
476.25974	0.8
477.22665	0.7
487.24936	1.2
489.26382	0.9
491.24457	0.9
492.25327	1.4
505.22079	6.4
515.24365	0.5
518.23297	0.8
519.23798	1.0
533.25537	30.7
534.25842	0.9
547.26849	0.5
561.24750	0.5
563.22095	0.4
564.23499	1.2
565.28107	0.5
575.26611	0.5
593.27606	100.0
594.27960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27866	0.2
52.39805	0.3
52.83033	0.2
62.12232	0.3
69.88578	1.5
114.87526	0.3
158.74811	0.3
209.10738	0.3
221.10764	0.3
255.94171	0.3
259.12503	0.3
389.17584	1.0
401.18109	0.5
402.18451	0.9
403.19244	3.3
404.20071	1.0
405.20853	1.8
415.19403	0.9
416.20105	0.8
417.16898	0.8
417.21353	4.3
418.21896	1.7
419.22458	3.6
430.17630	0.8
431.18225	8.8
432.18600	1.8
433.24210	9.4
434.24588	0.8
440.30933	0.3
445.19986	10.3
446.20816	3.6
447.21716	5.7
449.23190	0.6
458.21274	0.5
459.21600	4.0
460.22549	12.6
461.23383	12.2
463.21313	0.6
473.23810	2.2
474.24066	0.9
476.25803	1.2
477.22562	0.9
477.27548	0.6
487.24820	1.1
489.19284	0.4
489.26752	0.5
491.24759	0.5
492.25394	1.2
504.21506	0.3
505.21838	5.0
518.23291	0.9
519.24127	0.8
533.25513	46.7
534.25824	1.1
547.27161	0.7
561.24371	0.5
565.28333	0.9
575.26538	0.5
593.27606	100.0
594.28027	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.3
55.01865	7.9
55.05520	22.4
57.03431	7.1
57.07068	15.4
61.02923	6.2
62.78924	3.1
65.20837	3.2
67.05511	45.9
68.99771	4.3
69.03436	35.1
69.07074	43.5
69.28356	17.2
69.28778	14.6
70.06583	3.5
71.04986	5.3
71.08620	8.7
73.02925	5.0
75.90582	3.1
79.05482	25.6
81.03429	25.6
81.07066	99.5
83.04964	4.6
83.08632	24.9
85.02425	5.6
85.02911	72.6
85.06543	5.9
85.10181	5.1
87.00842	31.0
87.04452	5.2
87.49284	3.0
89.06001	4.2
91.05472	23.5
93.07053	53.4
95.04951	6.8
95.08614	100.0
96.08946	4.4
97.02912	27.9
97.06532	4.6
97.10190	18.4
99.04447	15.4
99.08103	5.4
105.01884	21.9
105.07038	32.5
106.07361	3.4
107.08608	44.2
109.02882	28.2
109.06525	5.3
109.10166	66.6
110.10498	3.9
111.08118	6.2
111.11728	12.3
112.83305	3.6
117.01841	4.2
117.07040	3.7
119.08592	26.6
121.10144	37.3
123.08038	4.0
123.11732	30.5
125.13284	5.4
125.19212	3.2
127.03912	52.9
129.01823	3.2
131.08542	5.5
133.10130	33.0
135.11714	28.8
137.05963	4.7
137.09625	8.6
137.13246	14.8
143.08516	4.5
145.04947	13.5
145.10141	4.2
147.11667	18.6
149.13266	41.1
150.13499	3.4
151.07579	3.8
151.14833	6.4
157.10172	3.6
159.02849	7.3
159.11676	5.2
161.13242	14.0
163.14812	18.2
165.12811	7.4
165.16461	5.1
174.52911	4.0
175.14787	8.7
177.16356	8.2
179.17978	6.8
189.16348	8.7
191.18005	4.2
203.17972	7.2
217.19530	7.7
219.01865	4.2
226.98010	4.1
229.09949	3.6
231.05025	7.7
236.16093	4.0
238.18021	25.3
247.24321	7.3
261.25815	5.8
263.75876	3.7
269.17599	5.3
273.25827	49.9
274.26096	4.8
279.26859	17.0
287.03949	5.5
289.05347	7.4
291.26801	49.9
291.92981	3.4
292.27185	4.5
297.28015	4.3
309.27979	40.7
310.28156	10.3
388.88907	3.3
394.98965	5.2
475.60208	3.6
528.50824	3.6
575.28070	14.2
590.96838	4.3
593.27893	21.5
593.36426	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.1
61.02910	1.1
61.20581	1.1
65.03937	1.3
68.99776	1.7
69.54437	8.0
69.71445	1.2
81.03407	1.3
85.02888	3.6
107.04974	1.3
109.02891	2.6
119.04910	1.4
121.02855	2.1
131.04982	1.2
135.04390	6.4
137.02342	19.3
145.02777	1.8
161.02371	3.6
165.01886	1.4
168.50232	1.1
171.04398	2.0
176.07016	1.2
177.01837	4.5
179.03392	2.7
189.01799	5.6
191.03444	2.9
195.02945	3.4
202.60269	1.2
203.03326	7.6
205.01308	8.8
207.02855	5.2
213.05473	2.2
215.03372	1.8
217.01372	1.4
217.04988	5.0
219.02873	1.4
223.02328	1.7
227.03378	3.2
229.04970	2.2
245.04391	1.7
253.04752	1.3
255.06531	100.0
267.06183	1.1
282.05038	1.4
283.02484	2.0
283.05862	2.2
284.06949	2.4
295.06122	5.7
297.07455	1.8
299.05508	6.9
300.06323	1.7
307.06064	1.4
308.06802	1.2
309.04059	1.1
309.07629	3.8
310.04623	8.0
311.05508	51.8
312.06119	2.2
313.07108	4.5
320.06665	1.4
323.05472	18.9
324.06287	4.3
325.03262	4.1
325.07068	15.1
326.04221	12.2
327.05005	2.9
329.06573	3.6
333.07449	2.8
334.08142	1.1
335.05453	3.1
336.06323	3.5
337.07034	19.7
337.11026	1.3
338.04242	3.2
338.07758	2.6
339.05026	65.7
339.08539	2.3
340.05615	4.4
341.06543	24.1
341.10333	2.1
349.07047	4.5
351.04855	6.5
351.08658	10.1
352.05743	2.0
353.06546	18.1
361.06900	3.7
363.04611	1.8
363.08701	5.4
365.06531	16.6
366.07040	1.6
367.04297	5.6
367.08240	4.9
369.06052	46.4
377.06409	9.7
377.10590	1.6
379.08191	17.5
381.05573	5.7
381.10135	2.4
389.06540	6.1
391.04245	3.6
391.08060	4.2
393.05997	13.7
393.10312	1.5
395.07642	7.7
405.05908	4.1
405.10330	2.0
407.07657	13.8
409.09204	3.1
411.06754	1.5
417.05991	7.7
419.07523	3.7
423.07117	34.7
425.08569	15.0
433.09311	3.0
435.07156	12.0
437.08719	7.2
443.09732	17.5
447.06696	2.3
449.08908	1.5
451.10519	1.5
453.08105	11.0
455.09772	16.6
471.09216	3.7
473.10846	29.8
479.09702	8.5
491.09998	1.9
497.10800	54.9
503.09558	3.8
509.04120	1.5
509.10764	8.8
521.10938	8.3
527.11871	17.9
539.11902	18.8
557.12915	36.1
575.13867	18.0
593.14758	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	593.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.6
64.30956	2.5
66.80747	2.9
69.75880	15.7
85.02908	8.6
95.81808	2.9
97.48742	2.5
98.17750	2.4
100.08063	2.9
109.02819	3.3
116.17554	2.7
117.10242	3.0
133.06506	3.1
135.04378	10.2
137.02350	28.3
137.05983	3.4
152.47865	2.5
161.02397	5.4
175.03973	2.9
177.01846	7.2
177.05443	3.0
179.03387	5.8
189.01848	14.0
190.02686	2.8
191.03392	3.8
195.02888	6.1
199.03900	2.7
200.82965	3.2
203.03403	15.5
205.10132	2.7
207.02861	9.1
217.04939	8.7
219.02800	3.3
225.89882	2.7
227.03441	3.4
229.04991	6.7
243.02953	4.0
255.02879	5.9
283.06012	3.8
284.06720	5.0
285.04028	4.3
295.06143	5.8
299.05524	26.7
307.06088	3.5
308.06976	3.4
309.07501	7.5
310.04703	11.0
311.05505	100.0
312.06192	9.1
313.07065	26.9
323.05518	74.3
324.06335	14.7
325.07040	27.0
328.05634	3.9
329.06686	3.9
335.05441	11.8
336.06216	8.5
337.07022	42.5
338.07834	8.3
339.04947	9.3
339.08694	4.7
341.06595	70.0
341.10715	3.3
342.07227	5.7
349.07065	6.6
351.04816	9.1
351.08630	30.3
352.05646	5.8
353.06564	45.0
355.08148	4.8
361.06900	5.5
363.04721	3.8
363.08749	13.2
365.06546	34.8
366.07574	5.6
367.08200	14.1
369.06076	14.6
377.06555	21.5
379.08163	23.4
380.08896	3.1
381.05951	9.3
381.09918	6.9
389.06476	13.7
391.08075	8.5
393.05988	8.2
395.07446	24.7
407.07645	50.0
409.09274	6.1
411.06717	4.0
419.07462	21.6
423.06732	3.4
425.08688	50.6
435.07013	6.2
437.08823	23.9
443.09656	29.4
455.09738	27.8
473.10818	59.9
479.09555	11.9
491.09433	8.8
497.10849	71.1
503.09775	7.7
509.10764	25.7
521.10681	23.6
527.12018	37.8
539.11932	35.8
557.04578	4.6
557.12860	62.5
575.13989	44.5
593.14777	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	592.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.2
55.01851	0.5
57.03440	1.6
58.06603	4.6
61.02902	0.7
69.03430	6.9
69.52583	1.5
69.52988	0.7
70.06568	0.6
71.04939	1.1
73.02885	1.2
81.02932	0.3
81.03416	6.8
85.02906	8.5
87.36948	0.3
97.02380	0.4
97.02896	3.8
97.50175	0.3
99.04469	2.0
103.03907	1.0
109.02223	0.4
109.02882	5.2
111.24519	0.4
127.03915	5.6
132.81827	0.3
145.04944	0.8
151.07539	0.5
178.08624	0.9
179.08601	0.4
187.05984	1.9
187.07428	0.4
193.11172	0.4
195.08044	0.8
206.07280	0.4
207.08096	0.6
210.10316	0.5
211.07533	0.7
213.11328	0.3
221.09669	0.9
222.10411	1.0
223.07582	0.8
224.08330	0.6
225.09140	0.7
226.09856	0.6
227.10660	0.7
230.11711	0.7
234.06894	0.3
235.07512	1.4
237.09161	1.8
238.09892	2.3
239.07013	0.4
239.10641	1.3
241.08572	2.0
244.13211	0.8
249.09117	0.9
250.09889	3.1
251.06911	0.8
251.10712	0.7
252.07721	0.4
253.08623	0.7
253.12270	1.8
254.09431	2.0
255.06404	0.5
255.10132	2.7
256.10904	0.4
266.09338	1.6
267.10144	3.9
268.11008	0.4
269.08096	2.0
269.11624	3.1
270.08914	0.4
271.09662	1.4
272.10449	1.0
279.09979	0.6
281.11713	6.4
282.12509	5.6
282.15338	0.5
283.09671	1.2
284.10397	3.0
285.11197	0.9
286.12012	1.4
296.10352	0.4
298.11960	2.3
299.12735	0.4
311.05527	1.0
312.16074	0.6
313.14435	1.1
314.13824	0.7
323.05182	0.5
328.15472	1.2
328.19083	0.5
329.16180	1.6
342.17081	3.2
343.18195	0.5
344.18567	100.0
345.18933	0.8
353.06781	0.8
386.19635	1.0
455.09393	0.5
506.23825	1.9
539.11938	0.5
548.24939	20.1
575.14215	0.5
592.23889	57.5
593.24469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.2
55.01849	0.5
57.03397	1.6
58.06610	4.2
61.02909	0.8
69.03437	8.8
70.06562	0.6
71.04967	1.0
71.56981	0.5
73.02871	1.6
78.23768	0.4
81.03426	5.8
85.02915	7.7
97.02908	4.1
98.82918	0.4
99.04427	2.2
102.39757	0.5
103.03899	1.4
109.02903	5.2
116.66891	0.4
127.03925	5.4
137.02296	0.5
145.02727	0.4
145.04980	0.8
151.07503	1.8
177.05438	1.1
178.08574	0.7
187.06030	2.1
203.03261	0.4
204.10213	0.5
207.08104	0.5
209.09563	0.9
211.07593	0.7
219.08180	0.5
221.09579	1.1
222.10358	1.3
223.07550	0.6
224.08139	1.1
225.09279	0.6
228.10339	0.6
230.11780	1.0
235.07640	2.4
237.09076	1.7
238.09962	2.7
239.07016	0.8
239.10658	1.7
241.08589	1.9
243.10141	0.5
244.13170	0.6
249.09045	0.8
250.09904	3.9
251.06888	0.7
251.10748	1.0
253.08720	0.7
253.12202	1.4
254.09438	2.0
255.10167	3.1
256.10947	0.7
263.10684	0.6
266.09305	1.5
267.10175	3.9
268.10544	0.5
269.08112	1.8
269.11646	2.8
270.12378	0.9
271.09634	1.1
272.10406	0.6
281.11746	7.9
282.12585	6.5
283.09564	1.4
283.12946	1.0
284.10480	3.0
284.13437	0.6
285.11108	0.5
286.12109	2.1
295.05997	0.6
296.10422	0.6
298.11945	2.0
301.14307	0.5
311.05768	0.5
312.16080	0.5
313.14331	1.1
314.17273	0.5
323.05579	1.0
328.15475	1.5
329.16251	1.2
341.06647	0.8
342.17032	4.1
344.18594	100.0
345.18802	1.0
353.06656	0.6
386.19611	0.6
425.08878	0.6
437.09085	0.5
455.10065	0.9
506.23886	1.5
548.24976	20.7
575.14166	0.5
592.23956	61.0
593.24329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
57.18724	0.3
57.19017	0.3
58.42490	0.3
69.03432	2.8
69.94414	1.1
69.94827	0.9
70.06594	0.5
73.02927	0.6
81.03422	3.0
85.02906	3.1
86.19724	0.3
89.03933	0.8
91.05487	1.3
97.02905	1.5
98.03120	0.4
99.04480	0.8
103.03962	0.7
103.05517	0.4
106.06554	0.4
107.04990	0.8
109.02885	2.0
116.04987	7.6
117.05550	0.5
118.06522	1.0
119.04911	0.8
120.04482	1.2
120.08124	0.5
121.06519	0.5
127.03941	2.5
130.06502	0.6
132.04408	0.4
133.05241	1.5
134.06058	2.4
135.04431	0.6
136.05228	0.6
137.05974	2.0
144.04456	10.9
146.03577	0.5
146.06010	1.5
147.06763	0.8
149.05992	7.8
150.05534	0.5
151.07544	7.4
158.06017	0.7
158.07278	0.4
160.07587	0.5
161.04745	5.2
161.05978	0.6
162.05536	2.3
163.06308	1.8
166.08618	0.4
174.05530	1.2
175.05910	0.9
176.07086	59.7
177.05498	0.6
177.07759	0.6
178.06242	0.7
178.08669	3.0
179.07141	0.4
187.06064	1.1
189.07855	1.3
189.09309	0.6
190.08604	0.4
191.09387	1.1
192.06575	1.1
192.10179	0.8
193.06978	0.5
204.06549	0.3
205.06918	0.5
206.08151	22.0
206.11656	2.9
209.08301	0.5
234.09259	0.4
235.07701	0.6
237.07870	0.8
238.08640	0.4
250.08696	0.4
251.09358	1.0
252.10182	4.4
253.10922	0.7
254.08173	1.3
256.13272	0.6
263.09555	0.4
265.07382	1.0
266.08325	0.5
266.11740	0.8
267.08936	0.6
268.09674	2.2
269.10507	1.0
278.08170	0.5
279.12604	1.2
280.09711	12.8
280.12845	0.8
281.10245	1.8
282.08130	0.5
282.11475	2.1
283.12079	0.5
284.12833	2.8
287.53256	0.4
292.09686	0.7
293.10574	0.6
294.11246	2.3
295.12051	12.5
296.09256	2.0
296.12421	0.6
297.10074	1.5
298.11905	0.4
310.10733	2.9
310.14435	2.6
311.11505	3.2
312.12320	79.1
313.12991	0.6
324.12518	0.5
325.12930	0.9
326.13892	18.1
327.14664	54.1
328.15244	0.7
338.14087	0.4
342.13385	1.1
343.13696	1.7
344.14951	100.0
344.18546	6.9
345.15356	0.5
354.13599	0.5
375.69580	0.4
383.20078	0.4
386.15939	0.9
447.48587	0.4
454.13464	0.5
506.20190	1.5
531.20782	0.9
548.21228	31.2
574.19122	0.4
575.20190	1.7
580.02698	0.4
592.20160	83.7
593.20215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.6
57.07069	0.7
60.99055	0.2
67.05509	1.3
69.07069	0.6
71.08634	0.7
73.20322	0.2
76.82601	0.2
79.05499	1.0
81.07053	1.6
83.08634	0.5
89.06026	0.4
91.05510	0.3
93.07037	1.2
95.08615	1.2
105.07054	0.5
107.08605	0.4
109.10110	0.4
121.10210	0.4
122.02699	0.3
123.11738	0.3
131.08574	0.4
135.11681	0.3
143.35428	0.3
147.11758	0.3
173.13016	0.2
185.45464	0.3
229.55199	0.3
261.22174	1.2
313.27365	1.9
335.25870	1.2
415.77652	0.2
573.49078	0.4
591.40833	100.0
592.41394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.0
55.05513	13.7
57.03441	10.3
57.07078	37.9
59.18020	1.6
65.03931	1.9
67.05509	56.1
69.06782	1.5
69.07072	16.8
69.86774	4.1
69.87183	5.5
71.08632	22.8
72.95155	1.4
79.05063	2.4
79.05493	34.0
81.07059	64.6
83.08613	12.1
85.06539	2.0
85.10191	12.6
91.05476	18.0
93.06483	2.7
93.07047	36.3
95.04955	2.8
95.08610	50.7
97.06496	2.3
97.10155	5.7
102.99644	1.7
103.07551	1.8
105.07034	12.6
107.08588	26.1
109.10153	28.8
117.07008	7.6
119.08593	8.5
121.10147	20.3
123.11704	11.9
127.54685	1.6
131.08588	14.1
133.10139	10.2
135.11699	13.0
137.13237	2.9
145.10118	11.5
147.11691	6.5
149.13269	10.6
159.11751	9.9
161.13258	5.4
163.14821	7.8
173.13235	9.4
175.14824	3.4
177.16339	1.9
187.14848	5.4
209.81209	1.6
233.22685	2.9
239.23694	5.5
243.21164	12.2
261.22125	59.6
279.23123	3.0
313.27365	100.0
317.24945	10.5
335.25800	73.3
353.27042	1.8
499.45056	1.9
573.48853	25.4
591.40869	1.9
591.49878	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	591.307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07461	0.3
55.05497	0.4
56.05018	0.5
58.06552	0.3
59.04967	0.3
63.97335	0.3
67.05483	0.8
68.05035	2.9
69.73994	1.7
70.06556	1.2
70.66675	0.3
73.06532	0.3
80.04989	1.3
81.04511	0.5
81.07034	0.8
82.06587	2.7
83.06074	0.9
83.07345	0.5
85.18277	0.3
89.04742	0.3
91.05448	0.9
93.06992	0.5
94.06522	0.8
95.04918	0.4
95.06087	0.6
95.08620	0.3
97.07641	0.7
99.09193	0.6
103.05451	0.6
105.07007	0.3
109.02830	0.4
109.10134	0.4
111.09185	0.5
115.05379	0.3
117.06977	0.6
119.08488	0.5
123.04388	0.6
129.06999	0.8
131.04922	1.6
131.08565	4.4
133.10123	0.3
137.05930	1.0
144.05676	0.7
145.06447	0.9
147.04402	0.3
147.08125	0.3
149.05975	2.2
150.90364	0.3
151.07558	0.7
156.08070	1.1
159.08064	3.6
160.11201	0.3
161.05957	0.6
162.05467	1.2
162.06685	0.4
163.06314	0.4
163.07593	1.4
164.07095	1.9
172.07552	0.6
174.09126	0.5
175.07536	0.9
176.07077	0.4
176.08435	0.5
177.07819	0.3
177.09108	2.0
178.08635	0.7
181.06517	0.3
184.07542	1.0
190.08591	0.5
195.08116	0.5
200.07085	2.0
201.07838	3.1
202.08644	16.7
204.10266	0.4
207.07982	0.6
209.05908	0.8
211.07489	0.9
214.08659	5.6
215.09512	3.6
216.10213	8.0
217.09680	0.6
223.07538	0.8
224.08356	0.7
225.09157	1.8
227.07091	0.3
228.10220	2.0
230.11777	31.6
231.12601	0.4
232.13411	2.3
235.07542	0.5
236.08231	0.5
237.09099	0.7
238.09990	0.5
239.07007	1.0
239.10667	1.1
240.07928	0.6
241.08556	1.7
242.09497	0.5
245.12900	0.5
249.09160	0.4
250.09848	0.9
251.07118	0.4
251.10609	0.8
253.08684	1.6
253.12315	0.3
254.09352	2.1
255.06554	1.5
255.10164	2.0
256.07147	0.5
257.08063	0.6
264.07816	0.6
265.08594	0.8
266.09357	0.9
267.10242	2.7
268.10831	1.2
269.08060	1.2
269.10892	0.3
270.08896	2.8
271.09637	2.6
272.10464	0.5
275.09967	0.3
277.08643	0.3
279.10321	1.4
280.10843	0.9
281.08023	0.7
281.11597	1.1
282.08804	0.9
282.12448	0.9
283.09680	0.5
284.10336	1.2
285.11261	3.8
286.11862	0.7
289.25159	0.3
292.09909	0.4
295.09381	0.4
296.10297	1.0
297.11200	0.7
299.12534	0.5
301.07175	0.4
306.11130	0.5
308.12753	0.5
309.10638	0.4
311.12772	1.1
315.14600	0.4
320.12857	0.3
322.10876	0.7
322.14526	0.4
330.16913	0.7
336.12369	0.5
338.13834	0.6
350.13898	1.2
352.15463	1.1
354.16998	0.6
356.18570	2.0
366.16974	1.3
367.16837	0.4
368.18384	0.8
379.16571	0.6
381.18100	2.9
383.19608	1.4
393.18024	2.4
395.19727	1.6
408.42389	0.3
497.20721	1.6
515.21655	7.1
516.22662	0.7
529.23358	0.8
543.24963	1.8
544.25641	0.4
559.28058	53.2
560.28094	0.9
591.30676	100.0
592.30774	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2605
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
57.07059	0.6
67.05505	1.5
69.07079	0.6
71.61370	0.4
79.05489	0.8
81.07065	2.0
85.10188	0.5
91.05499	0.6
93.07053	1.1
95.08615	1.7
95.56670	0.4
97.67731	0.4
100.56323	0.4
105.07012	0.5
107.08586	0.8
109.10129	0.5
112.41210	0.5
116.58304	0.4
119.08604	0.7
121.10172	0.6
131.08603	0.7
143.08601	0.4
145.10124	0.8
155.08571	0.7
195.11780	0.9
209.13319	0.5
261.22321	0.6
313.27402	1.2
335.25906	0.7
378.20593	0.5
401.17712	0.6
402.18372	0.5
413.17712	0.8
414.18222	1.0
415.19171	4.0
416.20096	1.9
417.21082	0.6
429.20923	6.8
430.21661	4.4
431.22223	1.5
433.23828	1.0
443.22784	2.6
444.23575	6.5
445.24188	3.6
457.19806	0.7
458.25577	0.8
459.21741	3.3
459.26083	2.1
471.21890	0.6
472.22690	3.0
473.23541	4.9
474.24365	2.8
485.23810	1.7
486.24283	0.6
487.24939	21.5
488.26129	0.6
489.23080	1.7
490.24118	1.1
503.24652	2.3
515.24640	1.4
517.22809	1.0
517.40576	0.6
518.23486	0.6
531.23969	14.6
532.24847	4.8
586.62347	0.6
590.44043	0.6
591.26056	100.0
591.44073	4.5
592.26416	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10295	0.2
56.04940	0.4
56.05164	0.3
60.32318	0.3
61.63627	0.3
67.05345	0.9
67.05737	0.5
68.04874	1.9
68.05283	0.8
69.03312	0.5
69.03645	0.5
69.06946	0.6
69.07269	0.3
69.77050	1.3
70.06461	0.7
70.06818	0.5
70.34641	0.2
79.05363	0.6
80.04850	0.9
81.03283	0.6
81.04435	0.3
81.06889	1.3
82.06411	1.7
82.06930	0.7
83.05934	0.8
83.06384	0.4
84.07983	0.3
85.02782	0.4
91.05287	1.1
93.06868	0.8
93.07401	0.3
94.06399	0.8
95.04792	0.3
95.05948	0.5
95.08424	1.0
97.02756	0.6
97.07528	0.5
99.09056	0.4
103.05289	0.7
103.05910	0.4
105.06846	1.1
107.04839	0.3
107.08463	0.5
109.02714	0.5
109.10023	0.6
111.07971	0.3
111.09029	0.4
115.05302	0.4
117.06896	0.4
118.06413	0.3
119.04730	0.5
119.08434	0.5
121.09975	0.6
123.04303	0.3
123.11550	0.4
127.03709	0.8
129.06819	0.6
131.04698	1.3
131.08351	3.2
131.09424	0.4
133.06277	0.3
133.09995	0.4
135.11499	0.6
136.34727	0.3
137.05762	1.1
141.06801	0.4
144.05510	0.6
145.06262	0.7
149.05745	2.1
151.07324	0.7
156.07828	1.1
157.09959	0.4
159.07819	3.4
159.11591	0.3
161.05794	0.6
162.05304	0.8
163.07370	0.7
164.07069	1.7
165.09023	0.4
174.08946	0.6
175.07315	1.3
177.05295	0.3
177.08871	1.9
181.06354	0.5
184.07544	1.3
188.06850	0.4
190.08507	0.6
200.07019	1.3
201.07848	2.5
202.08652	14.6
202.10457	0.6
204.10019	0.6
209.05638	0.8
209.09607	0.3
211.07332	0.9
212.10587	0.3
213.09103	0.4
214.08650	5.4
215.09486	2.4
216.10188	1.3
219.07826	0.5
223.07349	0.9
224.08119	0.3
225.09119	2.0
227.06934	0.5
228.10222	1.8
230.11780	29.7
230.13884	1.0
232.13336	2.7
235.07300	0.9
236.08185	0.4
237.08888	0.6
238.09666	0.4
239.06921	0.6
239.10451	0.7
240.07559	0.5
241.08626	2.1
242.09172	0.6
245.12611	0.3
248.08266	0.3
249.08891	0.4
250.09634	0.9
251.06799	0.3
251.10435	1.2
252.07649	0.4
253.04834	0.4
253.08363	2.5
254.09445	2.1
255.06288	0.9
255.10126	2.0
256.07120	0.4
256.10867	0.4
257.07883	1.0
258.08755	0.4
264.07571	0.5
265.08374	1.0
266.09134	1.1
267.10248	2.4
268.10941	1.5
269.07813	1.3
269.10846	0.5
270.08871	3.0
271.09674	2.8
272.10345	0.6
273.15729	0.4
275.17508	0.3
277.08371	0.3
277.25119	0.3
279.10114	1.3
280.10638	1.2
281.07932	0.6
281.11493	1.2
282.08545	0.5
282.12280	0.7
283.09433	0.6
284.10321	1.6
285.11252	4.7
286.11768	0.8
292.09601	0.6
294.11230	0.3
296.10135	1.2
297.11023	1.1
298.12036	0.4
299.12515	1.0
300.12366	0.3
306.11053	0.5
307.26196	0.6
308.12970	0.3
311.12537	1.1
318.11063	0.3
322.10751	0.4
322.14215	0.4
325.27341	0.3
330.16833	0.4
334.14227	0.6
336.12054	0.7
336.15656	0.4
350.13684	1.2
352.15561	1.3
354.16901	1.1
356.18491	1.9
363.16739	0.5
365.14899	0.5
366.16849	0.9
367.16272	0.7
368.18710	1.3
368.22644	0.4
369.17947	0.3
379.16425	0.8
381.18048	2.8
383.19510	1.0
395.19641	1.8
497.20300	1.4
515.21704	7.9
516.22699	0.5
529.23456	1.1
530.24316	0.6
543.24951	2.1
544.25482	0.6
559.28052	56.6
560.28448	0.7
573.29492	0.9
591.30688	100.0
592.30597	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85336	0.3
58.69205	0.3
67.05487	0.3
71.56554	0.3
88.56258	0.4
105.06988	0.3
141.32333	0.3
203.33534	0.3
564.92316	0.3
589.42902	100.0
590.43011	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25936	3.8
53.03946	5.0
55.05505	18.0
57.07078	8.3
67.05501	29.6
69.03423	9.0
69.07065	52.0
71.04997	12.1
71.56876	5.2
71.95335	3.5
79.05490	32.2
80.16175	3.3
81.03424	4.4
81.07059	100.0
83.08624	8.8
85.02898	14.2
85.03388	4.3
88.45846	3.7
91.05491	28.6
93.07050	63.4
95.04975	4.2
95.08605	60.2
96.39614	3.9
97.02871	4.9
97.06554	5.4
97.10168	8.8
99.08110	5.7
104.49711	3.5
105.01892	6.2
105.07025	38.1
107.08600	68.5
109.10165	65.2
111.11744	11.7
117.07011	8.1
119.08599	54.9
121.10135	56.8
123.11705	23.4
125.09599	5.7
127.03961	9.7
127.11199	34.7
131.08546	11.2
133.10149	33.0
135.11678	39.1
137.05986	4.9
137.13293	7.9
139.11221	6.3
141.12794	4.6
143.10696	7.9
145.05023	3.9
145.10118	12.5
147.11693	26.8
149.13263	48.1
153.12749	11.8
159.11702	17.0
161.13274	15.5
163.14838	12.0
173.13242	9.1
175.14857	9.7
177.16440	11.4
184.07440	5.0
187.14853	11.6
189.16417	13.7
191.18024	10.0
199.34758	4.3
201.16422	13.0
203.17943	34.6
209.18861	3.7
215.17953	11.4
217.19632	5.0
271.24310	31.3
287.99658	4.1
289.25296	38.2
340.15204	4.7
489.03098	4.3
524.92914	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	590.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	19.2
57.07060	6.8
61.02887	8.1
67.05505	30.4
69.03428	6.4
69.07076	29.0
69.19302	45.8
71.04973	20.8
76.88975	5.3
79.05494	38.0
81.07069	85.8
84.08144	6.0
85.02900	17.6
86.09689	6.5
91.05467	20.7
93.07039	72.9
95.08144	5.4
95.08618	58.1
97.02888	13.8
97.10177	12.7
99.08143	5.0
105.01856	11.0
105.07042	41.1
107.08599	65.7
109.10162	100.0
119.08589	38.7
121.10152	71.2
123.08103	5.5
123.11736	23.9
125.09598	6.3
125.56674	4.8
127.03931	14.3
127.11200	59.1
131.08554	6.5
133.10170	27.7
135.11700	30.5
137.13327	4.4
139.11212	11.5
140.46536	4.8
143.10655	10.6
145.04951	6.8
145.10167	9.6
147.11668	27.0
149.13277	58.3
151.14839	5.0
153.12708	14.6
159.11713	20.1
161.13268	20.0
163.14819	19.1
173.13295	11.8
175.14821	8.0
187.14832	29.2
189.16350	7.9
191.17921	11.1
201.16383	14.0
203.17952	44.1
207.17543	7.4
218.70219	4.7
271.24265	27.7
289.25211	19.1
302.17606	11.7
307.26093	5.9
331.05856	5.6
422.11490	6.6
530.30945	8.8
588.00366	5.8
590.33185	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01871	1.0
55.05502	3.9
56.92012	1.0
57.03441	39.8
57.55116	0.9
59.04980	1.1
59.90147	0.9
61.02922	7.7
61.99597	1.0
69.03426	1.9
70.06566	1.7
71.04966	1.6
79.05486	2.7
81.03413	4.2
81.07060	1.7
83.04968	1.6
85.02911	8.6
86.32436	0.9
91.05468	4.0
93.07027	1.4
95.04984	1.5
95.08592	2.0
97.02873	1.7
97.06501	1.3
99.04458	22.3
103.03951	12.2
103.05463	1.2
105.07053	6.6
107.04959	6.4
109.02907	8.6
109.10142	1.4
115.05447	2.2
117.05502	100.0
118.04124	1.2
119.04953	1.7
121.06476	1.4
123.04398	1.4
127.03922	16.5
128.06206	2.3
129.07018	8.5
131.04950	2.7
132.05640	1.2
133.06506	4.7
133.10072	1.5
137.05968	1.5
145.06476	2.0
147.08018	2.2
151.07558	1.2
153.05457	3.9
155.04912	1.5
155.07018	1.4
157.08649	5.3
159.06523	1.5
159.08054	5.4
161.05966	8.8
164.07042	1.4
167.07056	32.1
172.05205	1.2
175.07529	9.2
177.05437	1.4
183.06554	2.1
187.07552	22.4
189.07118	1.3
189.09052	3.4
190.07820	1.3
191.06992	4.3
191.08545	2.1
199.07585	8.7
201.05711	1.4
201.07602	29.5
202.07707	2.0
203.08559	3.1
205.06506	1.8
206.07256	1.7
207.08206	1.2
218.07231	2.4
219.08604	13.9
220.08847	2.1
221.09641	5.8
231.08009	3.5
232.08783	1.6
233.09625	2.1
234.06770	4.2
235.07591	3.0
245.06024	1.6
247.04434	1.1
247.07571	3.1
248.08272	1.3
249.09135	8.0
250.10092	1.6
251.07043	2.1
251.10622	1.9
259.07434	1.6
261.09109	2.1
262.06296	1.4
263.07007	2.5
263.10660	1.7
264.07739	1.7
265.08585	4.5
266.09192	1.9
273.09375	1.2
275.06909	1.6
276.07776	1.8
277.08563	8.7
278.09375	2.2
279.06635	2.4
279.10226	2.8
281.11655	11.4
283.09589	1.5
289.08569	4.8
290.09201	1.1
291.10138	2.9
293.08038	3.3
293.11328	1.2
294.08795	3.6
295.09491	1.8
297.11362	1.2
303.09805	1.2
305.07907	1.8
306.08783	3.4
307.09644	2.0
308.10556	1.8
309.11264	16.0
310.11932	1.3
311.09192	2.0
319.09491	1.3
321.11252	8.4
323.12616	1.4
325.10812	1.6
326.11490	18.5
335.12662	1.2
337.10690	5.0
337.14392	1.9
338.11465	5.3
339.12219	11.9
340.09186	1.6
340.13083	22.8
341.13846	78.3
347.12717	2.4
348.13480	1.3
351.12283	4.3
352.13135	8.6
353.13861	11.2
365.13773	1.8
379.15329	2.2
397.16412	2.3
415.17575	18.9
427.17590	2.4
439.17682	1.5
523.19653	2.4
589.23615	1.3
589.32672	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
55.01860	2.2
55.05515	0.7
57.03426	2.4
61.02921	1.3
66.94089	0.6
67.05482	0.8
68.99780	1.2
69.03091	0.7
69.03437	12.6
70.06588	1.0
71.04974	1.7
71.46410	0.9
73.02914	2.2
79.05479	1.8
80.33685	0.7
81.03428	11.3
81.07050	2.8
85.02430	1.4
85.02911	18.4
86.09715	1.0
87.00832	7.3
87.04456	3.9
89.06046	1.0
91.03942	0.7
91.05489	4.8
91.82829	0.7
93.07034	0.7
94.04189	3.1
95.04974	1.1
95.08617	1.0
97.02905	7.7
99.04485	4.1
103.03948	1.2
103.05482	4.2
103.91183	0.7
105.01875	3.1
105.07037	4.7
107.04962	1.3
109.02882	8.2
109.06519	2.7
109.10151	0.8
115.04035	0.8
115.05438	4.3
117.01865	1.4
117.05479	1.6
117.07029	1.5
119.04919	0.7
119.08624	3.5
121.78206	0.7
122.03667	7.5
123.04478	0.6
127.03928	15.2
128.06227	2.0
129.01848	1.1
129.07025	1.8
131.04927	5.6
131.40614	0.7
132.05714	2.4
133.06488	2.5
133.10136	0.8
135.11728	0.7
137.05984	100.0
141.06984	1.8
143.04886	0.9
145.04974	3.2
145.06502	1.2
146.03601	1.2
147.04425	0.8
147.08058	4.8
149.06026	1.9
151.03896	2.6
151.07524	1.0
159.02927	4.7
159.08044	0.9
160.05217	2.7
161.05995	11.0
163.07555	15.6
164.07008	1.1
167.06998	0.7
169.06516	1.0
171.07999	1.4
175.07553	54.9
177.05476	1.5
179.07059	0.8
184.05276	1.9
187.07539	5.7
189.07042	0.8
189.09106	1.6
190.07884	1.3
191.08598	2.8
199.07567	14.3
201.09129	1.7
202.07761	4.9
203.08560	9.4
205.06531	0.9
207.08054	0.9
217.08641	0.9
219.08084	5.6
220.08945	3.3
230.07326	1.0
231.05112	1.4
231.08075	12.3
232.08804	1.9
233.06047	0.8
235.07578	1.5
235.11215	1.4
237.88857	0.7
247.07573	2.6
248.08354	5.2
249.09091	1.7
251.10715	4.5
258.06882	0.9
259.07520	7.3
260.08353	2.6
263.10703	6.0
265.08658	2.0
271.09976	0.8
275.07135	0.8
276.07806	3.1
277.08649	3.8
279.10083	3.5
281.08118	1.2
289.08600	1.1
290.72253	0.7
291.10181	15.9
292.10901	4.2
293.08212	1.8
293.11621	0.9
295.10025	0.8
295.13327	2.2
296.10382	0.9
307.09601	1.1
308.10428	3.5
309.04059	2.5
311.12781	10.5
323.12778	39.2
325.07117	2.9
325.10876	0.9
325.14258	3.4
335.05646	0.9
335.12756	0.8
339.05106	3.8
339.08551	0.9
341.06601	1.3
341.13785	2.2
353.06448	1.5
353.13895	0.8
355.08090	0.9
363.04910	1.4
365.14035	1.2
367.08298	1.1
409.09198	0.9
419.07361	1.0
437.08408	1.0
439.10416	4.6
451.10129	0.9
469.11499	3.8
491.09714	0.9
493.11432	6.6
517.11902	1.0
523.12250	2.4
535.12256	1.5
553.13348	2.7
571.14392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
51.22497	0.6
53.03943	1.5
55.01864	2.3
57.03430	1.1
61.02901	0.8
61.69893	0.7
64.47363	0.6
67.05538	0.7
68.99802	1.3
69.03432	8.5
69.99317	2.9
71.05003	0.8
73.02926	1.4
74.89159	0.7
79.05494	1.0
81.03427	6.6
85.02914	14.4
87.00838	4.9
91.05470	3.7
94.04189	3.0
97.02897	4.5
99.04485	3.5
103.04000	1.0
103.05482	1.6
105.01852	3.8
105.06423	0.7
105.07030	4.9
107.04965	0.9
107.58981	0.6
109.02876	7.3
109.06506	1.7
109.38889	0.6
115.05456	3.1
117.07010	1.3
119.08588	2.3
122.03642	6.1
127.03923	14.0
128.06229	1.8
129.01868	1.1
129.07022	2.7
131.04939	1.8
132.05736	2.2
133.06488	3.8
137.05984	100.0
143.06096	1.0
144.05696	1.0
145.04976	3.5
145.06528	1.0
147.02902	1.0
147.04469	1.4
147.08052	3.0
149.05983	2.1
149.58400	0.7
155.04912	0.9
156.05707	0.9
159.02921	5.1
159.08078	2.7
160.05231	2.2
160.44604	0.7
161.05998	14.7
172.05168	1.3
175.07562	26.5
179.06995	0.9
184.05296	1.0
187.07573	8.7
189.03979	0.9
190.07793	2.5
191.08597	8.0
199.07587	7.2
202.07755	3.3
203.08575	6.0
207.08113	0.8
208.08847	0.7
215.08636	1.0
217.08572	1.4
218.07281	2.2
219.08064	10.4
220.08821	2.5
221.05957	0.9
229.08644	0.8
231.04977	1.6
231.08063	8.0
232.08855	1.7
235.11049	1.0
236.08342	2.2
237.09164	0.9
247.07579	4.5
248.08316	3.1
249.09090	1.2
251.10687	15.1
253.08603	0.8
258.06818	1.3
259.07550	5.1
260.08463	1.4
261.09201	1.6
262.09961	0.8
263.10687	4.2
264.07916	0.8
265.08682	1.4
276.07767	3.3
277.08652	2.7
279.10196	11.6
280.10947	1.8
289.08722	0.8
291.10168	12.8
292.10687	1.1
293.08127	0.7
293.11618	0.8
295.13159	0.9
296.10608	1.6
303.10059	1.2
308.10477	1.6
311.12796	36.2
315.10202	1.2
321.11197	2.4
323.12799	21.8
335.12640	1.6
341.13721	1.8
353.13849	2.1
365.13916	1.1
377.13751	1.0
401.13724	1.4
523.16547	0.8
541.17023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
53.05169	0.8
55.01869	1.0
55.05503	1.1
57.03439	1.4
61.02924	0.8
61.35184	0.7
67.05518	1.3
69.03425	3.8
70.06596	2.5
70.10834	1.5
70.11212	1.2
71.05000	1.2
73.02907	2.6
79.05480	1.3
81.03421	3.9
81.07067	2.6
85.02914	6.6
86.09708	1.4
87.00872	1.0
89.06051	1.0
91.05505	2.8
93.07073	1.5
95.05007	1.5
95.08611	2.5
97.02866	3.8
99.04461	1.4
99.08108	0.7
105.07037	1.9
107.01335	1.8
107.08564	1.6
109.02866	2.9
117.05576	1.0
117.07022	0.9
119.04916	6.7
120.08146	1.8
121.02872	12.7
121.06548	1.0
121.10143	0.9
123.00852	1.3
123.11681	0.8
127.03902	2.3
131.07262	0.7
133.02873	1.0
133.08604	0.9
135.04427	1.7
135.11734	1.2
136.07498	1.4
137.05965	6.5
145.02847	3.4
146.09645	2.8
147.04405	1.8
151.03918	1.3
161.05956	1.2
163.03925	1.5
163.07495	0.9
165.01866	1.0
175.07564	3.4
177.05527	3.9
184.07365	1.1
189.01810	1.2
190.99667	1.6
191.03351	0.9
193.01367	2.2
195.02919	1.1
199.07559	0.9
199.87085	0.9
202.99763	1.8
203.03326	0.8
205.01161	0.9
207.02831	0.8
207.06590	1.0
209.00795	8.6
211.02556	0.7
217.01334	3.7
217.04790	1.1
221.00873	7.0
221.08334	0.8
227.01743	1.8
231.02916	2.5
231.07928	0.9
231.25493	0.8
235.02428	5.6
239.01894	3.9
243.02939	0.7
247.02379	1.5
249.03964	2.1
254.05775	1.4
255.06328	0.8
257.04294	0.9
265.05087	1.4
266.05634	0.9
267.06567	0.8
269.00864	1.5
269.04251	0.9
277.08746	1.1
278.13809	2.4
279.06711	1.2
282.05185	2.1
283.06143	2.5
284.06818	1.7
287.01944	2.8
293.04364	1.0
294.05215	1.6
294.08380	0.8
295.06015	9.0
296.03079	0.9
296.14896	1.3
297.03754	4.1
305.07874	1.0
307.06064	2.6
308.06763	1.0
309.03943	100.0
310.04407	2.6
311.05432	3.4
321.03885	6.2
321.07468	1.8
323.05624	5.9
323.12531	2.2
325.03427	1.1
325.07172	2.3
327.04944	10.3
331.05942	1.9
333.08063	0.9
335.05545	24.3
335.09207	2.1
337.07095	1.6
338.04410	1.0
339.05011	61.7
339.08371	2.3
349.03320	1.7
349.07083	13.2
351.04999	1.8
353.06604	11.6
353.13425	0.8
359.05545	1.6
361.06918	2.7
363.00339	1.1
363.04919	23.5
363.08539	2.1
365.06485	1.5
367.04419	2.3
367.08179	2.2
368.05276	1.5
375.05014	9.4
377.06531	9.2
379.04135	5.4
379.08258	3.5
381.05884	1.0
387.04984	5.5
389.06506	1.3
391.08084	3.5
393.05988	4.1
395.07431	1.4
397.05746	1.8
405.06033	16.6
407.07639	20.5
409.09164	5.1
417.05988	1.7
419.07614	4.6
423.06906	2.3
433.09109	2.3
433.29010	1.0
435.06479	1.1
437.08701	28.6
439.10129	3.0
441.08286	1.3
461.08749	16.2
469.11383	31.5
475.10333	1.2
485.08487	1.1
491.09744	17.4
493.11298	24.1
503.09677	11.4
521.10846	6.1
523.12500	1.5
535.12402	6.7
539.11536	2.5
553.13507	8.6
571.14178	2.4
589.23163	1.0
589.31415	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	1.7
55.05503	6.9
57.03426	4.5
57.07080	100.0
58.04218	14.4
59.05005	44.5
60.04515	3.7
64.11147	1.6
67.05496	6.6
68.06286	2.1
69.07063	5.7
69.23928	16.8
70.07810	1.5
71.04981	3.7
71.08636	98.1
72.05786	14.3
72.10171	1.5
73.02917	11.1
73.06165	2.1
73.06559	24.1
74.03703	1.5
79.05491	2.2
81.07064	7.5
82.07816	5.3
83.08617	6.6
83.71032	1.5
85.10188	93.4
86.07301	3.1
87.04478	29.7
88.05262	3.8
89.06038	42.6
90.01922	66.6
91.79809	1.7
95.08601	4.1
95.81629	1.7
96.09375	5.7
97.10144	4.4
98.21514	3.6
99.11732	10.3
101.06043	4.1
102.06804	3.7
103.07585	21.9
109.10164	2.5
111.11728	2.1
116.08337	5.9
117.09141	17.2
130.08705	1.9
131.07022	3.9
133.08604	24.0
133.10139	2.0
135.10185	1.8
138.14046	6.5
141.16382	9.2
147.10170	4.6
150.61392	1.4
155.14352	1.5
155.17946	1.9
159.94843	1.4
161.11714	4.2
165.11238	3.2
169.15865	7.1
175.09602	3.0
177.11258	9.8
178.07077	10.9
179.12784	4.2
180.12289	3.3
194.13879	2.3
198.19807	6.4
199.20576	12.0
207.12190	1.9
208.15450	6.1
209.13824	3.5
222.09702	14.3
222.16971	4.8
223.15483	1.7
224.14893	3.7
241.15128	2.0
242.22667	2.0
243.23236	4.8
252.17978	4.5
266.12363	7.7
266.19647	5.8
267.17960	5.1
268.17450	2.2
282.19077	5.7
285.17654	2.0
296.20847	8.8
297.19046	2.0
312.20206	6.1
328.16309	1.6
348.31009	9.8
349.25955	1.8
354.25049	2.5
364.30701	2.4
372.18619	12.9
411.32166	2.5
436.36389	26.9
448.98996	1.7
452.35706	3.3
480.38998	2.4
489.35208	2.2
496.38467	2.5
587.41254	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	588.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85598	0.3
54.35989	0.3
54.71832	0.3
55.05510	0.4
56.40471	0.3
60.08166	6.2
61.02914	0.4
67.05476	0.6
69.07060	0.5
71.04992	0.5
71.07381	2.7
71.56926	0.3
71.57306	0.4
73.02899	0.4
79.05486	0.7
79.68755	0.3
79.98518	0.3
81.07044	0.9
83.05030	0.4
83.08605	0.4
85.02905	0.9
86.09709	28.7
87.00835	0.5
91.05475	0.4
95.08608	0.7
97.02903	0.5
98.98460	3.1
104.10752	3.5
105.07050	0.4
107.08598	0.5
111.71858	0.4
119.08545	0.6
121.10139	0.4
125.00011	18.8
127.03905	0.3
129.05525	0.6
138.35722	0.3
181.10110	0.3
184.07350	100.0
570.35663	0.8
588.36523	4.2
617.80438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.2
55.01862	0.3
55.51359	0.1
69.03433	0.2
70.61449	0.1
79.01858	9.6
79.20742	0.1
81.03419	0.2
85.02891	0.4
91.05555	0.2
95.08609	0.2
97.02867	0.2
97.37898	0.1
98.20850	0.2
108.00069	0.1
109.02913	0.3
110.99928	0.1
111.41976	0.1
119.04945	0.1
121.02879	0.4
127.03941	0.2
145.02928	0.2
145.06464	0.3
148.94751	0.1
157.06538	0.7
165.01823	0.6
181.06462	0.4
183.02879	0.3
183.04396	0.2
185.05977	1.7
199.07582	0.5
211.03833	0.2
212.16435	0.2
213.05479	2.2
241.04961	3.5
255.06528	0.9
256.07523	0.2
259.06033	6.5
265.05026	0.2
271.06049	1.3
283.06018	100.0
284.06259	0.6
295.06052	0.2
297.07706	0.2
339.12277	71.6
340.12595	0.4
501.17334	0.9
587.17780	2.6
587.27216	0.3
587.30798	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	586.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
57.07079	77.4
59.05005	15.7
65.76006	1.2
69.96473	4.3
71.08636	70.4
73.06561	3.3
85.10187	72.8
87.04460	9.8
89.06038	100.0
99.11746	7.3
103.07598	8.3
107.07071	1.2
111.11752	1.3
117.09145	2.9
130.08603	1.4
131.07045	5.0
133.08611	78.6
141.16373	8.8
175.09692	4.2
177.11240	42.2
199.20599	10.2
219.12340	1.9
221.13831	8.0
239.14920	1.8
243.23189	5.8
265.16537	4.5
283.17618	5.1
283.35617	1.3
309.19067	1.9
327.20178	2.7
353.21759	4.6
371.22763	23.9
411.25851	5.8
569.42432	7.1
586.45264	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	587.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27903	1.9
53.60070	1.6
55.01875	1.8
55.05494	2.0
57.03418	1.9
65.03934	3.0
67.05489	5.2
68.99782	3.2
69.03428	3.2
69.07052	4.1
70.06583	2.1
70.13806	8.0
71.28613	1.7
79.05478	2.8
81.03414	3.6
81.07043	5.3
85.02908	4.8
86.09743	2.1
90.25397	1.7
91.05479	24.5
93.07056	3.5
95.04954	3.6
95.08595	4.6
97.02895	2.0
98.97569	2.2
105.03396	2.2
105.07014	3.2
107.04871	1.9
107.08624	3.3
108.20924	1.9
109.06503	2.2
109.10139	2.7
110.32152	1.7
117.06979	2.1
119.04909	2.1
119.08586	2.6
120.85860	1.6
121.06470	3.9
121.10157	1.8
123.04413	14.7
126.74234	2.0
133.10133	2.3
134.03601	4.0
135.11688	4.1
137.05968	4.5
139.03867	2.2
147.04416	9.3
149.02336	2.0
153.05435	9.1
154.02634	3.8
163.03899	14.8
163.27394	1.7
165.01863	2.5
169.04948	8.3
172.05327	2.0
175.03853	9.6
177.05478	2.9
178.81335	2.1
180.00577	2.1
183.02881	2.8
186.03177	3.6
187.03857	2.2
191.03300	1.9
191.17961	2.1
195.02922	6.2
198.01611	5.9
201.05496	4.3
203.03442	15.5
205.05031	11.1
207.02834	9.9
207.06435	1.7
213.03912	7.0
215.03384	2.6
217.04948	2.9
225.31787	1.7
228.04237	4.3
229.01289	4.3
229.04994	4.6
230.05743	4.5
233.04440	6.7
244.03641	11.1
245.04369	3.3
257.00888	2.3
257.04437	5.0
258.05267	5.5
259.06036	27.9
261.03943	6.8
263.11588	2.2
269.04407	6.3
270.05283	2.4
271.05969	2.9
277.07062	3.2
283.06042	10.4
284.03284	2.8
285.03967	27.4
285.07584	38.0
288.02823	2.1
299.05588	4.1
303.04980	29.2
312.02560	4.7
315.08734	7.4
317.06400	4.4
327.05035	14.1
329.03131	2.7
329.06665	2.1
339.12268	7.7
342.03641	10.6
344.06989	2.9
345.05969	4.5
357.06064	19.3
359.09204	2.1
371.07889	2.5
405.09686	17.2
423.10764	100.0
447.10934	1.9
465.11438	2.9
467.09824	7.8
477.11795	31.6
587.30585	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	584.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43916	0.8
53.00290	0.9
55.05493	2.6
57.03428	2.3
57.07077	98.1
58.07388	0.8
59.05005	54.4
69.07052	3.2
69.47797	5.1
69.48209	1.5
71.08634	97.8
79.05459	1.1
81.07044	1.3
83.08604	3.9
85.10185	100.0
87.04456	3.0
89.06033	28.5
91.05483	1.1
93.07055	1.6
95.08578	1.3
97.06482	0.9
97.10172	1.3
99.11736	13.0
101.06044	1.3
101.09676	5.0
103.07565	3.7
105.07033	1.7
107.08608	1.7
115.07539	0.9
117.09140	21.9
119.08556	2.5
119.10710	0.9
121.10135	1.0
130.08655	0.9
131.08578	1.0
133.08636	10.2
133.10120	1.1
141.16393	13.5
143.08395	0.8
145.10077	1.3
147.10123	3.3
155.50529	0.8
165.09178	0.9
175.09590	1.3
175.13214	1.2
177.11232	10.9
195.12276	7.0
196.11754	0.8
199.20581	30.6
221.15359	0.9
224.73752	0.7
235.15308	5.0
240.23256	2.9
253.16441	6.9
257.24765	45.7
293.19669	2.0
311.20621	3.4
315.28986	3.7
351.23773	1.5
369.24500	1.1
556.39429	0.9
567.44379	2.5
584.40875	3.1
584.47528	3.0
584.55853	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	585.377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.5
57.07070	1.6
61.98458	0.8
67.05505	1.6
69.07080	1.1
71.08636	1.9
71.55595	1.1
71.83015	0.7
73.78521	0.9
79.05490	1.7
81.07051	3.0
89.06032	2.6
91.05462	1.2
93.07073	1.7
95.08604	2.4
105.07022	1.5
107.08642	1.3
109.10151	1.1
119.08604	0.8
133.08682	1.0
133.10152	1.0
136.69185	0.8
145.10091	1.4
147.11635	0.8
173.13312	0.9
174.55800	0.8
182.68768	0.8
251.12540	4.3
307.15179	3.0
505.84738	0.9
541.38898	1.3
584.56073	1.3
585.37573	100.0
585.55737	2.1
586.38043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.6
57.03431	1.7
57.07080	100.0
58.04228	6.6
59.05008	40.6
60.98043	1.5
62.72009	1.6
67.05506	3.3
69.07067	2.7
69.30126	4.8
69.30547	7.1
71.08637	72.0
72.05771	2.8
73.02927	2.9
73.06553	3.9
79.05491	1.7
81.07049	4.7
83.08608	3.7
84.89432	1.4
85.06516	2.1
85.10189	61.1
86.07329	2.8
87.04449	5.5
87.08094	4.0
89.06026	9.6
90.01923	18.2
91.05502	2.0
93.07049	1.9
95.08604	3.8
97.10165	3.6
99.11751	8.6
101.06004	1.5
101.09674	3.3
103.07568	3.9
105.07024	3.2
107.08556	2.2
109.10148	2.5
111.11721	1.8
113.13267	4.0
115.07582	1.5
116.08307	2.2
117.09148	14.4
119.08578	2.7
123.11691	1.4
124.94011	2.1
133.08572	3.3
140.38333	1.5
147.09106	1.3
155.17950	9.8
157.10165	1.5
165.11276	1.6
178.07104	2.2
181.10312	1.6
183.17458	3.6
193.14406	1.9
195.11780	1.5
212.21434	1.7
213.22090	16.3
222.09732	7.2
233.17546	2.0
240.10751	2.7
240.91338	1.4
251.18544	1.8
260.37466	1.4
266.05670	1.5
271.26346	18.8
281.19724	2.1
338.25314	1.7
434.38556	7.0
494.40393	1.9
543.48004	1.7
585.42969	6.8
585.56250	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	584.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.1
55.15877	1.5
57.07077	100.0
59.04750	2.0
59.05006	30.2
67.05495	6.1
69.07071	7.8
70.84499	4.4
71.08634	99.4
71.10943	1.2
73.02918	68.1
76.22102	1.3
79.05488	3.3
81.07082	8.3
83.04980	2.0
83.08618	7.0
85.06539	1.7
85.10184	97.6
87.04474	3.0
89.06039	20.8
91.05483	8.3
92.05824	1.9
93.06670	1.2
93.07049	12.5
94.07369	4.2
95.04938	1.8
95.08593	7.7
97.06516	1.6
97.10187	2.9
99.11743	13.4
101.09646	2.5
103.07595	1.7
105.07040	10.1
106.07391	2.4
107.08575	8.7
108.08926	2.1
109.06531	2.0
109.10187	3.4
111.11723	1.8
112.58486	1.6
117.05530	1.9
117.07016	4.5
117.09116	5.1
119.08566	14.9
120.08916	3.9
121.10152	8.8
122.10433	2.8
123.08066	3.4
128.06207	2.0
129.07056	2.5
131.08580	5.4
132.08882	1.9
133.08588	14.2
133.10172	4.9
135.08104	1.4
135.11684	2.7
137.09595	2.3
141.16377	11.9
142.07753	2.9
143.08514	6.1
144.09006	2.6
145.10170	8.1
146.10442	4.3
147.08086	2.2
147.11699	3.3
149.09621	1.7
151.07561	4.1
155.08626	3.5
155.18036	1.7
156.09248	4.5
157.10074	7.0
157.22163	1.4
158.10503	3.6
159.11647	5.0
161.08035	2.6
165.09126	3.4
167.08551	1.9
167.10683	2.9
168.09239	1.7
169.10150	5.4
171.11703	5.3
172.12146	1.7
173.13202	3.6
177.11185	7.0
180.09055	1.7
181.10091	2.4
182.10672	2.0
183.11661	4.3
184.12231	2.0
185.13289	3.6
189.12758	1.7
193.10045	1.4
194.10771	2.0
195.11644	2.7
196.12166	2.3
197.13211	4.6
199.20578	29.4
203.14259	2.4
205.10728	9.8
207.11777	3.1
207.13792	2.2
209.13283	3.6
210.13655	4.0
211.14827	1.8
212.15157	2.0
221.13312	2.5
221.15430	7.7
222.13686	2.0
222.15781	3.5
223.14957	2.0
233.15417	2.3
239.14821	2.3
248.15228	2.3
249.16405	2.3
256.26489	1.5
257.24765	12.2
261.16501	2.0
271.26373	1.7
283.17548	13.1
283.20529	2.9
311.16998	3.3
311.29401	4.7
341.21701	2.2
353.58545	1.8
369.21295	3.4
371.22403	1.6
374.11243	1.5
535.08893	1.6
548.39691	1.7
566.40863	9.3
584.42236	49.7
584.55310	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	584.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.6
57.07079	100.0
58.05744	1.0
58.06056	1.1
59.05001	24.1
59.37319	1.2
61.04407	1.1
64.90734	1.1
67.03176	1.0
67.05493	3.1
69.07078	5.6
69.86788	6.4
71.08636	80.1
73.02921	77.6
79.05477	1.8
81.07069	3.0
83.04961	1.2
83.08609	4.3
85.10189	73.1
87.04462	4.5
87.08103	2.6
89.06039	25.2
91.05477	3.6
93.07032	7.0
95.08595	5.2
97.10172	2.4
98.48521	1.2
99.11734	12.2
103.07604	8.5
105.07043	7.1
106.07317	1.7
107.08585	4.0
109.10148	1.8
113.13260	1.9
117.05505	3.0
117.07021	3.0
117.09126	3.3
119.08584	8.7
120.08892	2.6
121.10134	5.0
122.10506	1.6
123.08054	2.8
129.06973	1.3
130.08681	1.3
131.08514	3.8
133.08601	23.4
133.10149	3.8
135.11746	1.7
141.16360	2.7
142.07764	2.2
143.08537	4.2
145.10103	4.7
146.10500	2.2
147.07971	1.4
147.11717	1.6
151.07513	1.6
155.08598	2.0
155.17955	9.0
157.10100	5.3
158.10487	1.3
159.11661	1.9
160.12109	1.6
161.08086	4.0
165.07077	1.3
165.09114	4.3
167.10651	2.3
169.10008	1.4
169.56960	1.2
171.11650	2.2
177.11256	8.7
179.08549	1.6
181.09950	1.5
183.11696	1.6
185.13152	1.3
185.19017	1.6
188.14977	1.2
193.10066	2.2
194.10660	1.3
195.11584	1.7
197.13228	1.3
199.20607	3.1
200.15262	1.4
203.14270	1.3
205.10715	11.8
207.13797	1.5
209.13335	2.5
210.13637	2.2
213.22147	7.6
221.13545	2.3
221.15422	5.1
222.15775	2.4
223.14952	2.0
239.14806	2.4
243.23209	11.1
249.13344	4.7
257.24731	4.3
283.17435	2.0
301.27353	3.0
311.29623	2.2
327.20117	15.3
355.19595	5.0
409.75681	1.3
566.40515	4.1
584.42633	30.9
584.56226	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	584.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56667	0.1
59.88209	0.1
70.30595	0.5
74.49728	0.1
85.02888	0.3
91.05490	1.0
97.02891	0.2
106.95657	0.1
109.06548	0.2
118.06526	0.4
119.04936	0.7
121.02839	0.4
123.04420	0.6
137.04990	0.3
137.05975	2.8
146.90297	0.1
147.04430	0.5
149.04753	1.2
149.05835	0.2
162.05556	0.6
164.07066	100.0
165.07385	0.7
192.35985	0.1
284.09201	0.9
298.10745	2.5
422.15976	2.8
513.11798	0.3
584.21265	33.2
585.21753	0.6
595.22009	0.1
603.50421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02451	0.1
59.33597	0.1
63.87791	0.1
69.03413	0.1
69.58673	0.1
69.59023	0.7
81.07037	0.1
85.02883	0.2
91.05477	0.9
94.06587	0.2
96.86683	0.1
109.06540	0.3
109.18726	0.1
118.06538	0.4
119.04945	0.7
121.02835	0.3
123.04445	0.6
135.04445	0.1
137.05980	2.5
147.04416	0.6
149.04747	1.3
149.05876	0.2
162.05531	0.7
164.07068	100.0
165.07419	0.4
205.59509	0.1
235.91020	0.1
257.16772	0.1
284.09161	0.7
295.09760	0.1
298.10742	2.8
299.11414	0.2
421.91269	0.1
422.15991	2.9
530.14368	0.1
548.16022	0.1
584.21265	32.0
585.21906	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.0
57.03416	1.2
57.07066	4.0
67.05500	5.4
67.33584	1.0
69.03432	2.8
69.07061	2.1
70.06602	5.5
71.08630	1.7
71.56821	2.0
79.05472	2.4
81.03408	2.8
81.07063	6.7
83.04972	1.7
83.08607	2.5
85.02913	4.7
85.30134	1.1
88.07632	8.1
91.03980	1.2
91.05470	3.9
93.07043	2.5
95.08607	2.6
97.02862	2.9
97.10167	2.6
98.97527	1.3
102.09193	3.0
105.07020	3.6
106.08669	4.5
107.08588	3.2
109.02879	1.9
109.10155	4.7
111.04474	1.0
111.11805	1.1
119.04930	1.0
119.08582	1.9
121.02878	2.9
121.10151	2.3
125.09601	1.4
127.03935	2.4
133.10057	1.4
137.05894	1.1
143.00145	1.3
147.11676	2.4
177.00890	1.3
195.63632	1.0
256.26370	5.6
267.16071	1.4
274.27417	100.0
415.10104	1.4
445.11002	5.0
458.78305	1.2
482.08841	5.0
511.11722	1.4
547.14374	2.2
565.15112	6.0
583.15948	4.7
583.24811	3.0
613.34448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
53.55976	0.9
53.77938	0.9
53.87496	1.0
54.33755	0.9
55.05515	6.6
57.07079	6.5
57.32618	1.0
59.04999	3.0
67.05514	11.4
69.03427	3.8
69.07070	6.1
69.21569	11.0
71.08648	2.2
79.05501	7.5
81.07058	13.5
83.04990	2.2
83.08649	2.2
84.26358	1.0
85.06532	1.9
85.10201	2.6
89.06039	1.6
91.05479	15.3
91.87885	1.0
93.07045	19.3
95.04987	3.1
95.08614	19.1
103.05484	1.6
105.07034	24.9
107.04960	3.9
107.08597	14.4
109.06551	3.1
109.10138	6.6
111.08132	2.6
115.05440	1.5
116.10947	1.0
117.07024	4.3
119.08587	22.0
121.06532	3.1
121.10149	14.1
123.08070	8.4
123.11761	2.5
128.06235	3.2
129.06990	5.2
130.07759	1.3
131.08563	11.7
133.06541	1.6
133.10143	14.5
135.08092	4.7
135.11711	3.5
137.09605	7.3
141.07019	3.4
142.07770	5.9
143.08548	10.4
144.09380	1.9
145.10132	15.3
147.08066	12.6
147.11662	5.7
149.09625	1.7
151.07538	14.3
152.37549	1.0
153.06982	1.4
155.08517	5.1
156.09366	5.4
157.10138	20.2
158.10916	1.3
159.11690	11.9
161.09662	2.3
161.13284	3.3
163.11240	3.5
165.07005	2.0
165.09126	24.8
167.08580	4.2
168.09322	2.1
169.10109	6.8
170.10979	3.9
171.11694	9.6
173.09708	1.2
173.13268	6.1
175.11226	1.2
175.14928	2.1
179.08615	3.2
181.10190	4.3
182.11029	3.4
183.11710	8.6
185.13235	7.7
187.11192	1.1
187.14845	2.3
189.12791	3.8
191.14336	1.3
192.09447	1.9
193.10187	4.8
193.12282	1.2
194.11018	3.7
195.11742	7.4
195.87881	1.1
196.12505	2.7
197.13254	9.4
199.14857	3.6
203.14316	10.1
205.10265	1.4
207.11746	5.0
207.13872	4.8
208.12505	2.9
209.13298	8.4
210.14032	1.4
211.14798	5.0
213.16582	1.7
215.14369	2.0
218.11206	1.0
219.11693	1.9
219.17596	1.7
221.13341	3.9
221.15356	38.3
223.14911	4.2
224.15656	1.5
225.16513	1.3
228.20459	1.2
229.15872	1.6
231.11781	1.6
232.12505	1.3
233.13316	4.1
233.15527	1.6
235.14920	4.8
237.16490	2.1
239.17923	1.8
245.13402	1.7
247.14778	2.5
249.16533	3.0
251.18015	1.4
257.18860	1.4
259.14899	1.6
261.16516	3.1
263.18033	2.6
265.19626	2.5
271.17343	1.2
274.17181	1.3
275.17801	1.9
277.19754	1.5
279.21185	2.0
283.20596	1.6
295.20728	2.3
297.22345	2.6
333.22089	1.2
333.35181	1.2
349.25421	2.4
365.24841	2.2
375.27063	5.6
385.28763	1.5
390.33377	1.1
403.29999	6.9
491.35306	3.5
503.35172	3.8
547.39185	2.3
565.40356	27.8
583.33783	4.3
583.41516	100.0
584.41815	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.6
55.01855	2.0
55.05301	1.5
55.05518	18.9
57.07077	54.7
59.04999	12.0
65.03936	4.9
67.05511	28.6
69.03429	7.0
69.06720	2.0
69.07067	26.3
71.04993	2.9
71.08632	30.2
71.56892	1.6
71.57274	2.4
73.06564	1.3
79.05495	28.6
81.07056	34.7
83.04977	6.5
83.08625	13.1
85.06549	7.9
85.10181	27.5
87.04459	9.9
89.06032	53.3
91.05480	58.5
93.07044	66.5
95.04962	13.0
95.08607	40.1
97.06525	7.9
97.10165	2.4
99.08082	2.1
99.11729	4.0
103.05460	4.5
103.07581	3.6
105.04530	1.6
105.07033	86.8
107.07868	3.0
107.08597	57.0
109.06512	8.8
109.10154	24.3
111.08087	4.8
111.11668	1.5
113.09658	3.0
113.13322	1.4
115.05464	5.7
116.06259	3.1
117.07024	21.0
117.09117	1.9
119.08582	100.0
121.06532	7.3
121.10148	63.8
123.08088	10.8
123.11711	8.5
125.06007	2.4
125.09635	5.1
128.06244	12.4
129.07007	19.2
130.07785	7.7
130.08664	2.6
131.07010	4.4
131.08566	47.3
132.09352	2.1
133.06490	2.9
133.07693	1.1
133.08614	37.9
133.10143	47.0
135.08049	10.7
135.11694	18.3
137.09628	10.3
139.11162	4.4
141.06999	10.4
142.07785	28.3
143.08565	46.5
144.09344	9.9
145.10126	61.8
147.08061	10.8
147.11699	21.0
149.09653	9.6
149.13272	5.8
151.07573	7.6
151.11180	2.9
152.06241	2.0
153.07024	4.7
154.07802	2.2
155.08569	22.1
155.10693	5.4
155.18016	2.6
156.09355	22.3
157.10126	63.1
158.10918	11.7
159.08093	6.5
159.11693	36.0
160.08835	1.7
161.09628	6.3
161.13252	8.5
163.11214	9.0
165.07042	7.4
165.09113	15.1
166.07826	4.0
167.08586	14.4
167.10674	40.2
168.09367	8.7
169.10138	29.8
170.10881	11.0
171.11707	44.0
172.12495	2.9
173.09615	5.6
173.13258	35.6
173.14661	2.4
175.09795	2.5
175.11137	8.3
175.14825	10.6
177.09100	1.7
177.11235	12.3
177.12753	2.5
179.08545	15.9
180.09395	7.5
181.10132	16.5
181.12267	7.2
182.10890	11.7
183.11714	34.2
184.12527	9.1
185.09685	3.3
185.13261	22.5
186.14021	2.2
187.11185	3.5
187.14850	11.1
189.12837	6.8
189.16393	2.5
191.08601	1.6
191.14374	9.6
192.09422	4.9
193.10149	14.9
194.10918	12.6
195.11684	28.1
196.12518	7.0
197.13268	25.3
198.14003	2.6
199.11269	1.9
199.14822	34.1
201.12741	3.8
201.16426	5.4
203.14403	7.7
205.10168	5.2
205.15829	1.9
206.10918	8.0
207.11746	23.0
207.13715	3.5
208.12367	7.1
209.13281	29.1
209.15192	1.5
210.14034	3.4
211.11226	2.5
211.14844	15.9
213.12816	2.9
213.16412	5.6
215.14308	4.8
217.10168	3.6
217.15880	27.0
218.10950	3.0
219.11728	8.1
220.12558	6.8
221.13300	19.9
221.15424	29.9
222.14082	5.8
223.14804	17.8
225.16438	9.1
227.14299	4.3
229.10243	2.0
229.15916	2.9
230.10973	3.8
231.11600	7.1
231.87025	1.6
232.12572	6.7
233.13263	12.5
233.15434	13.2
234.13997	3.5
235.14815	12.3
236.15648	2.7
237.12747	3.1
237.16385	9.4
239.14574	2.1
239.18027	4.2
241.19583	1.7
243.11774	2.3
243.17464	2.1
244.12489	3.7
245.13319	9.2
246.14005	3.9
247.14864	12.3
247.16995	3.1
248.15616	2.6
249.16374	11.8
251.17961	6.3
253.15924	2.2
253.19540	1.9
255.17506	1.7
257.13278	4.4
257.19034	9.8
258.14035	3.3
259.14822	5.5
260.15649	6.2
261.16287	10.4
263.18051	7.5
265.19409	9.2
269.13089	1.9
269.19141	7.4
271.14886	1.9
272.15897	2.6
273.16360	5.5
274.17249	2.5
275.17947	13.6
277.19559	6.1
281.19009	2.9
283.14697	1.9
283.17661	2.8
283.20505	13.3
285.18817	3.5
287.17966	4.3
289.19592	4.9
293.18967	2.9
295.20502	7.1
297.16214	3.0
299.20355	2.4
303.21005	2.3
307.20569	2.3
311.20050	1.9
315.21140	2.0
317.22617	2.2
319.20453	1.8
321.22131	3.0
327.20917	2.6
329.22580	2.5
331.24301	6.1
335.23798	2.4
343.24210	1.9
347.23761	2.3
349.25372	6.9
351.23459	1.8
357.25900	2.3
361.25342	5.4
363.27081	1.5
365.24976	2.4
371.22986	2.3
375.26935	3.7
403.30219	3.2
427.30109	2.3
435.29184	1.8
443.30063	2.2
471.34000	1.7
491.34863	4.1
503.35394	2.1
509.34225	2.5
515.94470	1.6
547.39465	4.5
565.40485	16.9
583.41492	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.8
53.03944	3.2
53.81721	0.8
54.61969	0.9
54.86018	0.8
55.05513	10.3
55.26144	0.9
57.07086	5.9
58.42925	0.8
59.05014	2.6
60.82294	0.9
65.03940	3.1
67.05508	16.3
69.03430	3.5
69.07072	12.3
69.64418	6.5
71.05009	1.1
79.05502	15.4
81.06586	1.2
81.07063	21.7
83.04979	5.8
83.08624	5.7
85.06564	5.0
91.05485	27.3
93.07052	34.7
95.04967	7.6
95.08045	1.9
95.08615	24.2
97.06545	4.2
98.21501	1.1
99.16767	1.3
103.05538	2.0
105.07036	41.8
107.08603	29.8
109.06523	5.8
109.10167	16.0
111.08095	2.5
113.09691	2.0
115.05482	4.0
117.07015	9.0
119.08587	45.3
121.06535	4.0
121.10152	38.6
123.08106	9.3
123.11748	5.1
125.06004	2.3
125.09656	2.4
128.06227	6.4
129.06999	11.3
130.07794	4.2
131.08578	22.2
133.06558	2.2
133.10139	28.2
135.08066	6.8
135.11690	12.9
137.09630	6.2
139.11227	1.8
141.06979	5.7
142.06726	1.5
142.07777	12.3
143.08568	22.7
144.09366	4.4
145.10133	34.0
147.08041	7.6
147.11681	13.0
149.09615	7.6
149.13303	1.9
151.07561	11.6
153.07031	3.3
153.09067	1.1
154.07797	2.0
155.08568	9.6
155.10657	1.9
156.09340	10.9
157.10139	33.1
158.10944	5.4
159.08095	3.9
159.11700	18.7
161.09636	5.0
161.13257	5.2
163.11226	4.2
165.07007	3.8
165.09132	11.5
166.07825	2.3
167.08592	6.1
167.10689	23.0
168.09372	5.6
169.10123	19.0
170.10931	5.2
171.08034	1.9
171.11702	22.6
172.12457	2.1
173.09634	3.3
173.13272	15.7
173.95518	1.0
175.11215	3.4
175.14818	7.1
177.12772	1.4
178.07828	1.6
179.08565	10.2
179.10033	1.2
179.10680	0.9
180.09383	3.7
181.10150	10.4
181.12227	4.2
182.10927	6.5
183.11702	16.2
184.12555	3.4
185.09654	1.2
185.13274	11.2
187.11122	1.6
187.14832	5.9
189.12775	5.9
191.14290	5.2
192.09366	3.6
193.10141	9.4
194.10909	7.5
195.11708	15.4
195.13437	1.5
196.12524	5.1
197.09627	1.1
197.13292	14.9
198.13983	1.5
199.11197	1.6
199.14832	11.1
201.12778	1.8
201.16467	4.1
203.14363	7.3
205.10199	2.3
206.11011	5.0
207.11742	11.7
207.13802	5.6
208.12505	3.6
209.13286	18.7
209.15189	1.1
210.14024	3.1
211.11205	1.5
211.14842	8.7
213.12671	1.4
213.16423	3.1
215.14308	3.0
217.10146	2.0
217.15884	5.7
218.10966	1.8
219.11717	4.9
220.12456	4.5
221.13281	13.0
221.15436	22.4
222.14011	2.9
223.14780	11.4
224.15573	1.9
225.12746	2.2
225.16472	4.6
227.14384	2.0
229.10115	2.3
231.11739	3.8
232.12544	3.3
233.13377	8.2
233.15140	8.0
234.14076	2.3
235.14839	8.7
236.15704	1.7
237.16397	6.1
239.14369	1.9
239.17995	3.5
241.19582	1.1
243.11781	1.4
243.17535	1.1
244.12590	1.7
245.13329	4.7
246.14078	3.5
247.14876	6.0
249.16380	6.6
251.14479	1.1
251.18036	5.5
253.15948	1.0
253.19434	1.8
255.17525	1.8
257.13223	1.5
257.19016	4.5
259.14844	4.0
260.15637	3.3
261.16367	6.5
262.17230	1.6
263.17926	5.6
265.19574	6.1
269.19043	4.9
270.14349	1.0
271.14862	2.1
271.20612	2.1
272.15381	1.2
273.16489	3.3
275.17947	7.3
276.18735	1.0
277.19626	3.6
279.17642	1.5
279.21182	2.8
281.19016	2.4
283.20557	10.4
284.15509	1.8
285.16159	1.8
285.18936	1.3
289.19620	3.2
291.21103	1.1
293.18927	1.8
295.20685	2.6
297.22247	2.2
299.20346	2.3
301.19171	1.3
303.20782	1.6
307.20715	2.3
309.22177	2.2
313.21786	1.9
315.21051	1.4
317.22678	1.5
321.22046	1.5
329.22702	2.2
331.24301	3.8
333.22052	2.4
335.23624	3.3
347.23810	2.8
349.25366	4.6
351.23315	1.3
357.25690	1.7
359.23557	1.7
361.25253	2.0
365.25134	1.4
373.25250	1.7
375.26871	2.8
385.28806	1.9
403.30075	5.8
425.28983	1.2
427.29764	1.0
437.30664	1.1
489.33984	1.2
491.34744	2.9
502.24295	1.0
503.35339	2.0
509.34473	2.5
547.39471	3.4
565.40479	24.7
583.41486	100.0
584.42004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.0
53.03942	3.3
54.79585	1.1
55.01865	2.1
55.05511	13.9
57.07074	11.1
59.04990	4.7
65.03934	4.5
67.05510	18.0
69.03435	5.7
69.07075	13.9
71.08628	1.3
71.24682	2.2
73.08463	1.1
79.05499	24.7
81.07061	28.1
83.04959	7.4
83.08618	8.3
85.06549	6.5
87.04499	1.8
91.04896	1.4
91.05484	42.3
93.07047	45.3
95.04980	7.4
95.08611	33.9
97.06532	2.7
98.21078	2.3
103.05481	3.8
105.04542	2.2
105.07031	65.1
107.08594	41.0
109.06521	9.4
109.10162	19.9
111.08092	1.7
115.05473	5.1
116.06232	1.7
117.07027	13.0
119.08586	68.1
119.96852	0.9
121.06522	2.7
121.10151	40.6
123.08071	15.8
123.11703	4.6
125.05997	4.2
125.09652	2.0
128.06186	10.0
129.07010	18.6
129.87979	1.0
130.07770	7.1
131.08575	29.1
133.06480	2.2
133.10141	31.5
135.08081	9.5
135.11688	12.5
137.09619	9.6
139.11208	2.0
141.06989	7.8
142.07770	21.0
143.08560	33.4
144.09364	5.9
145.10129	42.1
147.08055	15.3
147.11665	11.0
147.76721	1.3
149.09628	6.7
149.13258	3.0
151.07545	17.7
153.07007	3.8
154.07813	2.6
155.08568	17.4
156.09358	14.7
157.10133	48.1
158.10909	6.0
159.08089	3.8
159.11697	22.4
161.09604	5.5
161.13232	6.5
163.11165	6.8
165.07080	6.0
165.09120	33.3
166.07809	2.2
167.08568	9.3
167.10704	8.5
168.09328	7.8
169.10133	27.3
169.11572	2.0
170.10928	9.0
171.11688	28.0
172.12436	1.7
173.09641	4.0
173.13261	18.6
175.11232	4.3
175.14909	6.9
178.07814	2.4
179.08565	12.6
180.09424	5.6
181.10138	15.8
181.12233	6.4
182.10901	6.6
183.11697	28.1
184.12512	4.6
185.09727	1.2
185.13274	17.4
187.11227	1.7
187.14790	8.1
189.12811	5.4
191.08548	2.4
191.14293	6.7
192.09357	5.2
193.10153	13.7
194.10912	10.8
195.11717	20.1
195.13612	1.5
196.12506	4.3
196.65778	1.6
197.09550	1.4
197.13258	18.3
198.10670	1.4
198.13954	1.4
199.11122	1.6
199.14844	15.0
201.12788	2.9
201.16499	1.5
203.08696	2.7
203.14323	13.5
204.09506	1.7
205.10202	4.7
205.15962	2.2
206.10884	6.2
207.11749	15.9
207.13840	8.0
208.12453	6.8
209.13264	25.1
209.15265	1.3
210.14050	3.2
211.11293	1.2
211.14806	11.2
213.12746	2.8
213.16461	3.6
215.14395	3.3
216.09392	2.3
217.10080	3.6
217.15916	9.2
218.10968	2.7
219.11676	8.3
220.12511	6.6
221.13289	14.9
221.15427	58.6
222.14070	4.7
223.11305	1.4
223.14841	14.2
224.15578	2.8
225.16438	5.0
227.14317	2.2
229.15904	1.5
230.10989	2.3
231.11682	6.8
231.17490	3.0
232.12497	4.7
233.13295	10.5
233.15407	2.6
234.14098	3.5
235.14790	11.2
236.15550	2.5
237.12643	1.5
237.16362	7.1
239.14551	1.1
239.17960	4.2
241.15982	2.7
243.11839	3.2
244.12457	2.4
245.13301	8.4
246.14069	4.5
247.14859	7.2
247.17038	1.7
248.15622	3.2
249.16357	8.2
250.17294	1.7
251.14568	1.4
251.17986	3.4
253.19563	1.8
257.13293	1.4
257.18942	7.1
258.14145	2.5
259.14893	5.2
260.15634	4.5
261.16422	8.8
262.17267	1.3
263.17929	5.5
265.19461	6.8
267.17477	1.7
269.19073	4.9
271.14746	2.2
271.20712	2.0
273.16513	4.7
275.17984	8.7
277.19501	3.9
279.21014	1.8
281.18961	2.7
283.15118	1.2
283.20581	12.9
284.15701	1.3
285.16220	1.6
286.19583	1.4
287.17661	2.1
287.20462	2.3
289.19492	4.4
290.20438	1.2
291.21005	2.8
293.19006	1.5
295.20477	5.2
297.22202	4.7
299.20325	1.6
300.20978	2.3
301.19556	3.2
303.20996	1.3
309.22144	2.0
315.21027	1.7
317.22424	1.2
329.22769	1.9
331.24167	6.1
333.22195	2.3
341.22839	1.6
347.23840	1.2
349.25211	8.3
352.24332	1.6
361.25467	1.5
365.24686	2.2
375.26624	6.7
403.30042	5.9
473.33966	1.7
491.35309	3.5
503.35449	4.5
509.34085	1.4
547.39557	3.1
565.40387	20.8
583.41522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.05507	7.5
57.07078	9.0
59.04986	3.1
65.03932	1.9
66.77328	0.9
67.05507	14.3
69.03435	5.3
69.07066	10.3
69.21074	4.2
69.21507	3.6
73.29737	0.8
74.72150	0.8
77.03938	1.6
79.05496	15.0
79.63892	0.8
81.03416	0.9
81.07062	20.0
83.04981	5.3
83.08619	6.1
85.06563	3.9
85.10187	0.8
87.04448	1.1
91.05482	27.2
93.07047	35.6
95.04967	6.0
95.08612	27.4
95.09239	1.3
97.06536	3.9
97.10188	0.9
103.05455	3.1
103.06049	0.8
105.04507	1.4
105.07035	47.6
107.08603	26.1
107.09209	0.6
109.06521	6.2
109.10154	12.8
111.08064	1.8
115.05464	5.0
116.06266	1.3
117.07012	10.2
119.08586	45.1
120.29705	0.8
121.06506	4.8
121.10143	27.7
123.08077	14.2
123.11738	4.2
125.06032	1.9
125.09678	1.6
128.06226	7.4
129.07005	9.0
130.07829	4.3
131.08574	20.6
131.09506	1.4
133.06505	2.8
133.07510	0.8
133.10138	23.4
135.08063	6.9
135.11707	7.7
137.09621	8.7
139.07536	0.9
139.11221	1.8
141.06984	5.9
142.07779	15.9
142.08795	1.5
143.08568	25.2
144.09351	5.3
145.06564	1.0
145.10135	29.7
147.08055	15.4
147.11688	10.3
149.09683	4.0
149.13289	1.5
151.07542	15.8
153.07002	3.3
153.09137	1.0
154.07809	2.1
155.08559	11.2
155.10609	0.9
156.09372	11.1
157.10139	37.8
158.10913	4.7
159.08075	3.5
159.11699	16.1
161.09642	4.8
161.13239	6.3
163.11211	3.2
165.07072	4.9
165.09126	27.3
166.07756	1.9
167.08563	6.4
167.10637	4.7
168.09402	5.1
169.10136	17.2
170.10893	6.1
171.11688	21.1
172.12479	1.3
172.27760	0.8
173.09676	3.2
173.13284	14.3
175.11218	2.9
175.14867	5.9
177.12704	1.4
179.08559	8.7
180.09305	5.1
181.10129	11.2
181.12231	4.0
181.56801	0.9
182.10869	5.5
183.11710	15.4
183.13203	1.2
184.12515	3.5
185.09641	1.3
185.13252	13.1
187.11189	1.7
187.14824	3.8
189.12759	5.6
191.08600	1.0
191.14322	5.8
192.09364	2.8
193.10104	8.0
194.10890	6.6
195.11713	15.0
196.12459	4.8
197.13271	12.0
198.14041	1.7
199.11192	1.8
199.14804	11.0
201.12712	1.8
201.16360	2.1
203.08554	1.0
203.14319	12.9
205.10094	2.3
206.10870	4.9
207.11755	11.6
207.13829	5.6
208.12453	6.5
209.13274	18.1
209.15207	0.9
210.14087	2.4
211.11276	0.9
211.14821	7.7
213.12787	1.4
213.16411	3.3
215.08557	1.0
215.14354	1.8
217.10095	3.0
217.15936	5.1
218.10893	2.2
219.11726	4.8
219.13681	1.3
220.12527	2.9
221.13280	11.1
221.15421	49.6
222.13976	3.7
223.14848	11.3
224.15665	1.6
225.12772	1.7
225.16402	4.0
227.14389	2.1
229.15846	1.0
230.10957	1.7
231.11708	4.0
231.13792	1.1
231.17531	2.2
232.12460	2.7
233.13289	7.1
233.15457	3.8
234.14128	2.3
235.14879	9.4
235.16997	1.2
236.15768	1.9
237.16379	5.9
239.14186	0.9
239.18034	2.3
241.15776	1.1
243.11737	1.3
243.17519	1.1
244.12532	1.6
245.13258	4.6
246.14101	3.2
247.14822	7.0
247.16998	1.6
248.15573	2.1
249.16386	6.2
250.17175	1.2
251.18057	5.2
253.19604	2.0
255.17557	2.2
257.13196	1.9
257.19119	3.9
258.14029	1.5
259.14792	4.0
260.15652	3.5
261.16437	5.0
262.17407	1.1
263.17923	4.3
265.19516	5.8
269.19095	2.7
271.14877	3.1
271.20566	2.3
272.15668	0.9
273.16299	4.2
274.17163	1.5
275.17905	5.8
276.18896	1.1
277.16309	1.1
277.19604	3.7
279.21118	2.0
281.19009	1.9
283.20572	9.5
284.15601	1.3
285.16299	1.3
286.19421	1.4
287.20172	3.0
288.18741	1.1
289.19626	2.2
291.17480	1.2
291.21060	1.7
293.19022	2.2
295.20615	3.3
297.16428	0.9
297.22183	4.7
299.20370	1.3
300.21136	1.3
301.19501	2.6
303.21002	1.0
307.20560	1.5
309.22049	1.6
315.21109	2.2
329.22580	1.1
331.24289	3.5
333.22263	1.5
335.23782	1.2
347.23599	1.3
349.21573	0.9
349.25177	4.6
357.25723	2.0
365.24728	2.5
375.26828	5.8
403.29993	6.7
491.35052	3.1
503.35181	4.8
509.34164	2.7
547.39325	2.4
565.40442	25.6
583.41498	100.0
584.41760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.05517	9.0
55.24982	1.3
57.07084	10.5
59.05002	4.8
65.03957	2.3
67.05514	15.8
69.03436	4.3
69.07072	12.1
70.70143	1.6
70.70458	2.5
71.05000	2.0
71.08624	4.6
79.05510	12.3
81.07068	23.0
83.04997	5.2
83.08627	6.9
85.06548	5.2
85.10191	3.9
89.06047	1.6
91.05491	24.9
93.07054	34.0
93.07631	2.2
95.04974	7.2
95.08616	26.8
97.06539	4.1
103.05450	1.9
105.04504	1.3
105.07033	41.4
107.08601	27.8
109.06524	5.3
109.10180	14.2
113.09665	3.0
113.47280	1.4
115.05497	2.0
117.07008	9.4
119.08591	44.1
121.06503	4.2
121.10150	31.7
123.08083	10.9
123.11727	5.1
125.09615	2.4
128.06259	5.1
129.07022	7.8
130.07808	2.6
131.08586	20.0
132.09294	1.5
133.06506	1.4
133.10156	23.1
135.08070	4.5
135.11722	9.6
137.09621	4.0
139.11198	2.7
141.07016	3.9
142.07802	11.4
143.08572	23.6
144.09387	3.8
145.10138	28.9
147.08034	7.3
147.11679	10.5
149.09599	6.9
149.13284	2.4
151.07626	9.9
151.11183	1.5
153.07034	2.4
154.07852	2.2
155.08580	9.7
155.10678	3.0
156.09360	11.1
157.10136	31.2
158.10931	3.6
159.08076	5.3
159.11697	18.5
160.12462	1.6
161.09590	6.3
161.13283	5.5
163.11218	6.4
165.06985	4.1
165.09129	7.0
166.07793	3.2
167.08580	7.2
167.10681	25.0
168.09348	4.9
169.10120	19.0
170.10928	5.9
171.07999	1.9
171.11705	19.8
172.12492	2.0
173.09644	2.4
173.13266	17.9
175.11179	4.4
175.14896	7.1
177.12790	1.8
178.07848	1.7
179.08546	6.8
180.09395	4.0
181.10094	10.9
181.12244	3.9
182.10957	5.0
183.11708	17.1
184.12503	2.7
185.13269	15.8
187.11238	1.9
187.14815	6.4
189.12791	4.6
191.08687	2.7
191.14206	2.7
192.09367	2.4
193.10196	10.2
194.11000	5.0
195.11699	13.8
196.12515	5.3
197.13272	16.7
199.14885	9.4
201.12801	1.7
201.16397	4.0
203.14372	4.2
205.10251	2.6
206.10982	4.1
207.11737	12.0
207.13762	3.5
208.12544	8.0
209.13284	14.3
211.11299	1.9
211.14799	10.3
213.16481	4.3
215.14423	4.3
217.15973	6.0
219.11795	4.5
220.12434	4.1
221.13272	10.8
221.15430	16.3
222.13995	3.2
223.14862	9.5
224.15768	1.5
225.12854	2.5
225.16483	5.3
227.14351	2.5
227.17775	1.8
229.10098	1.7
229.15932	2.5
231.11737	4.7
231.13881	1.8
231.17372	1.9
232.12592	1.9
233.13257	6.2
233.15443	8.8
234.14024	2.0
235.14804	8.6
237.16437	5.7
239.14255	2.4
239.17998	3.0
241.15977	1.9
241.19482	1.8
244.12431	1.9
245.13329	4.2
246.14139	2.8
247.14844	4.4
247.17038	2.3
248.15654	1.5
249.16458	3.9
250.17125	1.6
251.18065	3.5
253.19696	1.8
257.13208	1.8
257.19110	3.4
258.14102	2.9
259.14938	3.1
260.15756	2.6
261.16486	5.1
263.17969	4.1
265.19528	4.8
267.17496	1.9
269.19061	3.9
271.14725	1.6
271.20627	3.0
273.16330	1.7
275.17987	4.6
277.19635	3.6
279.21207	3.0
281.19086	4.2
283.20587	6.7
285.16315	1.7
287.17828	2.0
289.19440	1.6
293.18988	2.8
295.20401	6.6
297.22058	2.3
301.19437	2.2
315.21234	2.4
317.22641	2.3
321.21664	1.3
331.24268	2.5
335.23550	3.1
343.24286	1.7
347.23965	2.2
349.21555	1.7
349.25513	4.6
357.25781	1.7
360.24524	1.7
361.25137	3.0
366.37695	1.4
373.25296	2.3
375.27002	4.0
403.30017	4.9
485.33609	1.6
491.34918	2.5
503.35480	2.2
509.34406	2.5
547.39392	3.9
565.40546	20.8
583.26434	2.5
583.41473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3607
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
51.32700	0.5
55.05504	1.5
55.84418	0.4
57.03447	1.0
57.07073	0.8
59.04995	0.5
61.66232	0.4
67.05507	5.9
69.07073	1.7
71.08637	0.8
75.93340	0.4
79.05511	2.7
81.07051	5.3
83.08621	0.7
91.05479	1.8
93.07021	3.4
95.08624	4.6
105.07017	1.6
107.08604	2.3
107.87915	0.5
109.10171	1.7
119.08599	1.7
121.10153	1.2
131.08597	1.1
133.10138	0.8
133.88646	0.4
135.11728	1.1
145.10178	0.6
147.46172	0.4
152.72139	0.5
159.11769	0.6
163.11250	0.5
173.00066	0.5
179.08557	0.5
229.50830	0.5
249.10994	26.6
284.60144	0.4
303.35120	0.5
305.13614	3.3
335.25775	0.9
351.15906	0.5
370.28351	0.5
411.31412	0.5
445.08450	0.5
540.88422	0.5
583.36029	100.0
584.36462	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07922	2.5
55.05516	4.0
57.03436	7.6
57.06793	3.1
57.07081	89.7
59.05008	93.8
66.42053	2.9
67.12277	2.8
71.08638	100.0
71.09730	6.2
83.08622	3.3
85.10188	95.6
87.04454	3.4
88.26704	2.7
99.11716	10.5
101.09629	8.5
117.09136	34.7
141.16356	10.2
158.11610	2.9
161.98787	3.0
175.13239	7.8
198.40462	3.0
199.20605	24.8
213.22151	3.4
233.17506	4.8
251.18477	3.5
257.24796	35.4
271.26364	3.7
315.28650	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	583.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
57.03442	1.3
68.72205	0.9
69.03425	2.6
69.34943	6.4
70.06596	2.8
72.08170	1.5
73.89423	1.0
81.03435	5.4
85.02917	7.1
91.05486	2.3
93.08056	0.8
94.59586	0.8
97.02924	6.8
99.04468	0.8
100.56958	0.9
107.04939	1.9
108.08112	1.5
109.02893	3.9
111.04449	1.3
119.04962	2.1
121.02859	3.1
123.04411	1.1
127.03907	3.3
130.06549	5.0
135.04425	1.4
136.07561	2.9
137.02339	3.8
137.06015	2.1
138.02701	1.7
139.02850	1.2
152.07216	0.9
155.07224	0.9
161.05956	1.2
164.07062	7.1
165.07132	3.4
166.06503	1.0
167.07155	3.3
167.08517	1.5
168.08098	4.1
177.19609	1.0
180.08127	3.6
181.08913	2.2
189.01819	1.2
190.02226	1.2
191.07268	1.7
192.08151	6.0
193.07620	2.8
193.09007	2.0
194.08241	1.5
194.09732	13.6
195.09364	1.6
200.28027	0.9
203.03401	2.5
204.08142	10.0
205.04024	1.2
205.07443	4.4
206.08342	16.2
207.09186	92.1
208.09923	5.9
210.09251	1.5
211.08763	1.4
219.09193	7.5
220.09970	9.1
221.10742	100.0
222.11497	8.4
223.12321	23.9
239.11807	61.4
249.10242	13.4
252.08951	6.7
253.09755	2.7
254.10576	6.7
267.11298	68.9
268.11942	3.5
281.12872	1.1
295.05743	0.9
295.78806	0.9
299.13937	3.6
311.05444	5.2
312.05725	4.3
313.06049	5.2
323.05490	2.8
324.05878	4.4
325.06384	4.8
326.06870	1.2
327.07733	1.2
337.06848	3.3
338.07077	1.6
339.07748	4.2
341.06552	2.9
342.07224	1.8
343.07095	4.0
349.06860	1.9
351.07971	1.4
353.06433	3.6
354.06802	2.7
355.07175	4.9
359.13391	1.5
363.07883	1.2
365.06256	1.4
366.07098	1.6
367.07275	4.1
369.08762	3.1
369.14438	1.0
375.13269	1.3
377.05945	1.1
378.06372	1.3
379.07465	3.4
381.09015	1.1
385.08069	1.2
391.07416	1.5
393.14465	48.9
395.07532	3.7
395.16156	1.4
396.07861	2.4
397.08383	7.0
405.35358	1.1
407.07495	1.7
409.08295	5.3
411.15494	22.2
413.08966	0.9
415.09402	3.7
421.08221	1.8
425.08450	2.2
425.17065	7.3
426.09015	1.1
427.09378	5.6
433.09628	1.7
443.09717	2.4
443.18079	2.3
444.09933	2.1
445.10574	7.7
451.09271	1.6
461.10049	0.9
463.10925	4.0
469.10532	2.8
475.10837	3.7
487.11349	3.1
491.21896	1.7
493.10513	1.5
493.23282	1.0
497.10385	1.1
499.11365	5.1
511.11447	3.2
517.12439	3.4
529.12683	8.6
547.13531	9.6
551.20276	50.9
565.14923	7.6
583.23199	12.1
584.21246	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	582.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03458	1.7
65.03940	2.1
71.30057	1.5
80.05019	0.9
85.02899	1.7
91.05437	0.9
119.04939	1.9
121.02879	34.5
122.06052	1.3
138.88585	1.0
145.02844	2.5
170.06075	1.0
173.05951	1.1
175.03716	1.0
197.06055	1.3
200.07016	1.1
207.09213	1.0
213.05296	1.3
215.03481	2.1
223.03926	1.0
224.07176	1.2
225.05624	1.0
227.03415	2.4
229.04993	2.5
236.07014	1.4
237.05603	0.9
239.03429	2.4
241.05002	3.7
252.06584	4.7
253.04994	1.7
255.02989	1.7
257.04459	3.3
266.08334	1.4
267.02896	1.5
268.06088	2.6
269.04538	4.0
271.02432	1.5
271.05664	0.9
278.04526	3.2
280.06155	2.6
283.06174	1.9
290.08279	1.4
291.06494	1.2
294.07593	1.9
295.05917	5.0
296.05627	3.8
298.07339	0.9
307.06137	1.7
308.05643	2.4
317.08167	1.5
319.05942	1.0
320.06680	1.6
326.06558	1.5
333.07571	3.8
334.08182	1.6
335.09305	1.2
344.06799	3.3
345.07642	7.2
346.08121	2.5
347.09180	3.2
357.07626	7.8
358.08365	2.8
359.09097	7.6
361.07065	1.7
363.08578	2.6
369.07379	1.6
371.09155	2.4
372.08899	1.7
373.06509	1.2
373.09912	2.7
373.41736	1.0
375.08624	6.0
383.09171	2.5
386.10358	9.5
387.08591	15.4
388.11780	1.7
389.06595	3.0
389.10922	1.3
390.07501	1.3
398.10355	3.7
399.08722	2.6
400.08347	2.4
401.09259	6.2
402.09784	2.0
403.08032	10.3
411.08481	2.1
412.12192	1.1
414.09769	46.2
415.08563	3.8
416.11371	11.7
419.07611	1.8
426.09656	3.6
428.11160	2.8
429.09445	3.2
432.10846	1.8
433.09012	5.0
440.11343	6.3
443.11746	1.1
444.10791	66.5
452.11319	1.2
454.13162	5.6
456.10919	2.2
457.09320	2.9
462.11899	7.5
464.11462	1.8
468.10858	18.3
468.64838	0.9
469.09296	1.4
474.11600	1.2
480.10974	5.9
481.09305	1.4
482.12201	2.0
486.11890	8.0
487.10159	2.0
492.10950	4.6
498.11865	11.2
499.10410	2.3
510.11896	8.8
516.13049	2.4
517.11328	1.0
528.12878	12.8
535.12634	1.2
536.15637	1.0
546.05493	1.7
546.14001	31.2
564.15051	100.0
565.15723	1.6
582.16113	54.2
605.16925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03489	1.0
56.84677	0.8
65.03935	1.8
66.45843	0.9
70.02636	3.3
73.64643	0.8
85.02914	1.7
88.07313	0.8
119.04970	1.6
121.02875	32.9
130.60292	0.8
141.91275	0.9
141.92520	0.8
143.04961	1.0
145.02895	2.7
162.48810	0.9
165.94933	0.9
174.05652	1.2
213.05586	1.1
215.03461	1.0
217.05038	1.4
223.03854	1.4
224.07022	1.5
225.05508	2.1
226.02824	0.9
226.08165	0.9
227.03345	2.1
229.05037	2.1
239.03342	2.3
240.06519	1.1
241.05037	3.5
250.04953	0.9
251.03406	1.0
252.06706	2.5
257.04529	2.6
267.02774	1.1
268.05930	2.6
269.04544	2.4
271.02509	1.8
278.04581	2.2
279.06631	1.1
280.06131	2.0
283.06036	1.4
285.03870	1.3
290.08292	1.0
295.05984	4.7
296.05457	2.1
308.05615	1.7
317.08005	1.0
321.07397	1.1
325.07208	1.3
333.07730	3.5
334.08246	1.4
343.09421	1.0
344.06924	3.6
345.07544	6.0
346.08188	3.6
347.09225	2.5
357.07574	6.8
358.08246	1.6
359.09164	7.4
361.06757	1.3
363.08582	2.2
369.07480	1.5
371.09167	2.8
372.09109	1.5
373.06799	2.6
373.10419	2.5
374.07001	1.2
375.08621	4.7
383.09073	2.1
385.06680	1.1
386.10706	7.2
387.08624	15.3
388.12033	2.3
389.06256	1.7
389.10632	1.6
391.08102	1.1
396.08072	1.4
398.10309	3.6
399.08438	1.6
400.08279	3.6
401.09119	5.3
402.09714	2.5
403.07993	12.1
411.08585	2.5
412.11893	1.6
414.09729	36.5
415.08475	3.6
416.11450	12.0
419.07690	1.4
425.10223	1.0
426.09473	4.3
428.11340	2.0
429.09805	2.6
432.10605	2.3
433.09052	6.8
440.11411	5.9
441.09753	1.1
444.10803	69.8
452.11700	1.6
453.09689	1.6
454.12924	4.3
456.11005	1.2
457.09293	4.4
462.11584	4.5
464.11163	1.3
468.10840	17.9
474.11819	1.4
480.10873	6.8
481.08963	1.6
482.12302	2.1
486.11969	3.5
487.10437	2.5
492.10687	4.6
498.12006	7.9
499.10428	1.9
510.12009	8.5
516.12585	1.6
517.11389	2.1
528.13007	11.9
535.12634	2.1
536.15619	1.4
546.14008	26.7
553.13342	1.6
564.15021	100.0
565.15375	1.2
582.16089	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	581.1504
Annotation	Carlinoside
Peak:m/z	Relative Intensity
55.01865	6.9
60.63318	2.1
70.61281	7.8
78.46928	2.2
85.02906	4.9
99.45903	2.3
107.04962	2.8
116.71925	2.3
120.89368	2.4
135.04413	12.5
137.02361	38.8
147.04523	3.5
148.78970	2.6
159.04343	2.3
161.02354	6.0
177.01840	6.8
179.03374	3.1
184.85094	2.1
187.03949	2.6
189.01910	11.3
191.03372	5.6
195.02896	6.6
201.01910	4.1
201.05461	3.8
203.03406	20.6
205.04947	3.8
207.02876	6.2
215.03384	7.8
217.05008	6.0
219.02887	5.6
221.04398	2.9
229.05003	6.7
233.04431	4.6
239.39577	2.4
241.04959	3.3
243.03006	4.5
255.02829	2.7
257.04620	3.0
269.04474	3.1
271.05826	2.5
283.05945	3.3
284.06821	5.4
291.19101	2.6
295.05820	4.6
297.07697	4.9
299.05447	10.3
308.06760	2.6
309.04205	3.7
309.07578	6.4
310.04755	20.9
311.05530	96.6
312.06256	7.1
313.07016	10.6
322.08475	3.2
323.05527	65.1
323.08597	2.3
324.06332	17.9
325.07074	20.5
329.06650	7.8
333.07730	5.4
335.05396	5.9
336.06198	7.3
337.07089	55.1
338.07852	8.9
339.04889	5.7
339.08713	9.2
341.06592	85.2
345.07642	5.0
349.07108	26.2
350.07745	4.3
351.08664	21.5
352.05670	5.5
353.06625	67.2
355.08087	4.4
361.07019	9.8
363.04828	2.6
363.08698	16.0
365.01862	3.3
365.06546	68.2
366.07272	3.1
367.04269	3.6
367.08255	33.4
371.07568	8.7
375.08591	4.5
377.06519	27.5
377.10693	4.2
378.07324	3.2
379.08206	24.5
381.09937	5.6
383.07520	9.0
389.06534	18.2
391.08307	12.6
395.07660	100.0
403.08197	9.1
407.07614	60.5
413.08786	37.3
417.09842	6.0
419.07617	21.2
421.09299	7.4
425.08743	82.4
425.14420	5.4
431.09650	19.8
433.09116	5.2
437.08759	15.2
443.09781	95.5
445.09305	3.0
449.08618	23.7
455.09906	14.2
461.10721	37.2
467.09641	25.7
473.10776	34.1
479.09647	8.3
485.10886	37.5
491.10153	13.7
497.10825	53.7
509.10898	31.9
515.04913	3.8
515.11957	54.1
527.11902	88.7
545.12946	78.6
563.13947	50.0
581.15131	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	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	16.5
57.03446	11.4
57.07069	6.3
59.05007	2.5
63.67206	1.9
65.03950	3.0
67.05510	56.8
69.03397	2.1
69.07076	17.3
71.04998	3.1
71.08611	5.2
77.49102	2.0
77.76320	2.3
79.05505	35.9
81.07064	100.0
83.04979	6.7
83.08619	12.6
85.06548	7.7
89.06028	2.9
91.05494	28.7
93.07051	35.7
95.04996	3.4
95.08611	35.3
97.06530	8.2
97.10145	2.0
99.08102	5.7
105.06384	3.8
105.07044	47.1
107.08604	21.5
109.06548	4.9
109.10154	12.6
117.07012	4.7
119.08587	32.7
121.10147	32.6
123.08099	2.4
123.11708	27.8
127.07565	2.2
131.08572	7.8
133.10130	7.2
135.11688	7.4
137.13257	3.6
144.20724	1.9
145.05046	2.0
145.10121	6.5
147.11699	62.1
149.13297	5.4
159.11711	3.3
165.12779	24.3
173.13271	3.7
190.79280	2.1
218.90720	2.3
225.77087	2.0
229.14470	4.7
243.21191	3.4
260.28253	1.9
261.22122	20.0
267.15930	83.0
285.16956	76.4
326.90921	2.1
335.25818	76.1
353.26767	3.0
394.34918	1.9
420.03793	2.2
427.77802	2.2
450.20477	2.7
527.37183	5.4
545.30420	4.0
545.38367	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01867	2.1
55.05308	1.4
55.05513	16.1
57.03436	9.8
57.07067	3.8
59.46630	1.3
61.83294	1.3
65.03949	1.3
66.30140	1.2
67.05506	44.0
69.06721	1.7
69.07071	19.5
70.93936	3.2
71.04987	1.7
71.08630	2.0
71.49261	1.3
73.02892	1.5
79.05493	18.8
81.06583	2.2
81.07058	44.2
83.04977	3.1
83.08614	12.4
91.05493	11.3
93.07048	31.3
95.04958	5.2
95.08610	44.6
97.02895	1.8
97.06512	3.8
97.10169	3.8
97.11458	1.4
98.14083	1.3
99.04454	2.0
99.08092	1.9
105.07026	9.1
107.04945	4.0
107.08604	22.4
109.10169	10.9
111.08067	1.7
116.64191	1.3
117.07024	4.8
119.08574	8.4
121.06496	3.7
121.10144	12.2
123.11690	3.5
124.64733	1.5
125.05906	1.6
131.08594	2.3
133.10132	4.2
135.11702	29.5
145.10114	14.5
147.11702	2.7
153.12721	1.2
156.80630	1.5
163.11188	32.1
172.26511	1.3
175.14790	1.6
181.12207	4.7
227.12785	40.3
283.15402	42.1
285.16971	5.3
335.25763	6.9
337.27377	100.0
503.36829	1.9
545.38385	64.0
545.46851	3.0
562.37158	2.1
580.38696	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	580.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03743	0.3
53.03947	3.3
54.29747	0.2
55.01859	0.7
55.05516	0.5
56.67561	0.2
57.03434	0.4
64.29686	0.2
66.74551	0.2
67.05505	0.8
69.07062	0.5
69.95543	0.6
69.95945	0.8
74.38580	0.2
77.03913	0.7
79.05489	0.7
80.23469	0.2
81.03409	0.5
81.07073	0.4
85.02899	0.5
91.03941	0.4
91.05482	9.8
93.07047	13.6
95.04970	2.8
95.08603	0.6
103.05466	10.1
105.04491	1.5
105.07022	0.5
105.23333	0.2
106.80178	0.3
107.07330	0.6
109.10158	0.6
117.05745	0.3
118.06517	1.7
119.04890	0.3
119.08607	0.3
120.08115	0.3
121.06508	62.5
130.06554	0.9
131.07323	0.5
132.08102	1.0
133.08865	0.3
133.10168	0.4
144.08087	0.8
146.09657	1.2
148.11032	0.3
156.08109	0.3
158.09628	0.2
158.81116	0.2
160.11176	0.4
170.09801	0.3
199.24532	0.3
202.15965	0.5
218.91904	0.3
228.17461	0.8
229.14336	0.5
244.20674	0.3
256.17050	0.7
302.83426	0.2
312.26880	0.7
324.26730	2.4
340.26379	3.9
358.27408	0.6
368.25818	13.1
383.24197	0.3
386.26907	10.8
404.27994	4.6
404.32858	0.4
442.29532	4.6
460.30603	22.0
501.24380	0.3
518.08325	0.3
524.33484	0.9
580.36328	100.0
581.36664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
52.96308	0.7
53.03946	2.9
70.02962	0.8
70.32545	1.9
70.81262	0.8
81.03438	0.9
85.02883	1.1
91.05482	13.9
93.07044	19.0
95.04970	1.6
103.05476	13.9
105.04546	1.6
105.07009	0.8
107.04939	0.9
109.02863	0.8
119.04959	1.3
121.02880	7.1
121.06508	65.1
136.07524	1.2
150.47444	0.7
151.03922	0.8
177.01855	1.8
190.05162	1.0
191.03287	0.9
192.02861	5.6
195.02899	2.9
203.03452	1.9
207.02927	1.6
210.03954	1.4
214.05014	1.9
215.03276	0.8
217.04953	1.7
218.04448	3.6
232.06088	3.1
237.76871	0.8
244.49153	0.7
255.02869	1.0
258.03882	1.2
270.04102	1.1
283.05978	2.9
295.02847	1.4
295.06030	16.1
296.06403	3.4
297.07053	1.5
298.07150	1.7
307.06018	2.0
308.05835	5.3
309.07312	2.5
310.07111	17.8
321.07568	8.7
322.07578	2.2
323.08148	1.5
324.08615	2.3
325.07126	2.3
326.07449	2.2
327.07806	1.5
328.08063	1.2
334.07297	1.5
335.09048	6.0
336.08777	7.9
337.06686	1.4
338.06927	1.5
338.10455	1.1
339.07739	1.1
340.08124	5.8
348.08768	2.9
349.06726	1.0
350.10410	6.6
351.07880	0.8
361.07059	3.3
364.08325	2.7
373.07022	1.5
376.08249	6.4
378.09909	2.2
388.08081	1.5
394.09131	2.1
406.09265	2.2
410.09140	1.1
412.10461	1.6
418.12820	1.5
424.10434	1.2
430.12888	100.0
442.11911	1.0
456.14368	13.1
460.13962	15.8
466.11371	1.8
470.16040	14.1
480.14520	1.4
484.13895	44.1
496.13910	15.5
498.15512	5.6
508.13754	4.2
514.14990	15.3
526.14911	30.6
544.15991	41.1
562.17065	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	580.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94514	0.5
53.03952	2.8
55.01873	2.3
55.05512	3.7
56.05043	3.9
57.03441	3.3
58.06594	0.9
60.04531	96.9
61.02918	2.0
67.05509	11.7
68.05027	1.4
68.99784	0.7
69.03440	12.7
69.07068	4.8
70.06584	1.4
71.04996	2.3
71.41792	1.3
72.04527	3.3
73.02919	2.1
74.06097	4.0
79.05504	7.1
80.05032	1.7
80.34079	0.7
81.03421	10.9
81.07062	12.1
82.06602	2.2
83.05005	1.1
83.08626	2.1
84.04519	1.6
84.08157	1.1
85.02911	22.4
86.06092	1.7
87.00833	5.3
90.05585	1.0
91.03991	0.9
91.05479	5.5
93.07057	6.5
94.06558	1.1
95.04982	1.5
95.08615	10.5
96.08160	1.5
97.02901	6.2
97.06564	1.0
97.10169	0.9
98.06034	1.0
99.04478	4.3
102.05553	2.3
103.05492	0.8
104.07129	2.2
105.01871	3.8
105.07056	3.6
107.08594	3.6
108.08118	0.7
109.02894	9.9
109.10150	4.9
110.09756	0.5
111.04429	0.8
112.07630	0.8
116.07112	0.8
117.01922	0.9
117.07068	1.1
119.08608	2.3
121.06552	1.7
121.10143	3.6
122.09699	0.7
123.11737	1.5
127.03925	12.4
129.01849	0.7
131.05022	0.7
131.08598	2.1
133.10146	1.5
135.11742	2.8
137.06001	2.7
144.12364	0.6
145.05000	2.4
147.02917	1.0
147.04431	0.7
147.11681	1.2
149.13281	1.1
151.03891	0.8
151.07666	1.1
152.07176	0.9
159.02901	3.4
159.11699	0.6
161.06015	0.8
161.13280	1.0
164.07080	0.6
167.07048	4.1
178.08623	0.9
184.46101	0.6
191.07138	1.1
193.08745	0.8
201.00728	0.6
231.05022	1.3
246.10016	0.7
248.23920	1.2
260.23761	2.8
278.24792	7.0
292.10220	0.8
296.25842	9.8
310.11343	2.0
314.26895	23.1
332.27966	70.3
333.28381	0.8
356.28128	1.0
374.28891	3.7
494.33514	1.9
500.31927	0.7
518.33051	1.8
526.29474	1.0
536.34338	7.6
544.31543	1.0
546.33160	0.7
548.20349	0.9
562.32367	7.3
580.33344	100.0
581.33856	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	579.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42495	2.9
53.03942	9.5
55.01862	10.4
55.05508	23.8
57.03431	9.6
57.07082	4.2
62.59281	3.5
65.03928	4.6
67.05508	100.0
69.07066	22.1
69.40931	24.6
71.05008	5.1
72.67188	3.2
74.04246	3.0
79.05499	65.6
81.03406	9.0
81.07062	87.2
83.04974	16.8
83.08604	12.3
85.02934	3.7
85.06524	4.3
88.40450	3.1
91.05487	38.8
93.06478	6.5
93.07047	77.3
95.04974	13.8
95.08612	54.9
97.06518	11.6
97.10164	7.1
105.07036	31.6
106.07450	3.4
107.04958	15.1
107.08605	38.3
109.06463	3.6
109.10150	30.8
111.04462	19.0
111.08089	7.0
117.07006	17.0
119.08590	29.2
121.06483	4.9
121.10149	42.8
123.11716	16.1
125.06022	4.2
129.07034	5.7
131.08580	22.2
133.10144	17.7
135.08060	4.5
135.11687	36.3
145.06491	6.3
145.10136	35.5
147.08063	4.1
147.11667	12.0
149.09654	6.1
149.13266	8.9
153.12758	7.5
155.08549	6.9
159.11684	9.4
161.13345	6.5
163.11200	31.9
163.14803	4.7
171.11742	3.3
173.09607	13.4
173.13240	7.6
174.54475	2.9
175.14819	3.5
181.12207	11.3
187.14886	4.6
191.10620	15.6
209.11705	9.0
227.12762	17.5
229.14314	4.0
243.21109	5.3
259.20590	4.7
261.22162	27.1
265.14346	26.5
267.15930	5.3
277.21558	3.9
279.23178	9.5
283.15427	46.6
301.16434	18.5
317.24667	8.9
335.25763	49.9
351.25320	3.1
355.09875	2.9
423.32150	6.2
455.14279	3.8
469.33145	7.3
489.35611	5.6
515.36926	8.8
525.35455	11.2
543.36847	29.5
561.37848	41.6
579.31940	18.0
581.41443	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	579.3896
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
52.99602	1.8
53.03939	7.1
55.01879	11.6
55.05512	21.8
57.03427	7.9
57.07067	4.9
59.04985	2.2
65.03941	4.8
67.05510	89.8
67.05876	4.3
69.03421	3.8
69.07072	23.6
69.70107	1.8
71.04973	5.7
72.24548	1.8
73.02896	2.1
79.05497	64.9
81.03441	10.0
81.07063	100.0
83.04990	18.8
83.08636	12.6
83.09094	2.3
85.02909	2.7
85.06540	6.9
89.05997	2.2
91.05482	41.3
93.06472	3.6
93.07051	65.0
95.01328	2.1
95.04980	13.5
95.08611	65.1
97.06529	10.7
97.10162	6.1
99.04455	3.7
105.07048	28.6
107.04967	27.5
107.08601	35.8
109.06496	5.7
109.10162	30.2
111.04446	25.4
111.08099	10.5
117.07024	16.9
119.07802	2.4
119.08588	26.2
121.06510	4.9
121.09326	2.9
121.10152	44.3
123.08080	2.0
123.11686	10.2
129.06981	7.0
130.07751	2.1
131.04924	3.7
131.08562	22.3
133.10153	13.4
135.08044	2.1
135.11702	35.4
137.09579	2.7
137.13284	4.2
143.08522	6.7
145.06488	6.2
145.10136	36.4
145.24168	1.9
147.11699	15.0
149.09656	9.5
149.13272	9.2
153.12750	11.7
155.08585	10.2
156.45815	1.8
157.10138	4.5
159.11732	9.3
161.13274	7.7
163.11186	39.4
163.14809	3.9
171.11722	3.6
173.09616	20.4
173.13232	6.1
175.11226	2.2
175.14816	2.2
181.12251	19.9
183.11847	1.7
185.13280	2.5
187.14848	3.0
189.11186	2.6
191.10667	24.7
192.91257	1.7
201.16490	3.0
209.11748	9.7
211.14954	2.3
227.12784	23.4
229.14403	2.4
243.21126	5.7
259.20520	3.5
261.22150	23.3
265.14362	34.9
267.15903	7.3
277.21582	3.2
279.23193	8.3
283.12390	3.4
283.15436	59.2
299.14984	2.3
301.16498	49.2
317.24789	5.4
335.25851	37.4
337.27316	3.7
351.24969	2.5
433.31158	3.2
451.32016	5.9
469.33008	6.9
478.16318	2.2
487.34061	4.9
515.37817	12.5
525.35736	13.6
533.38239	2.4
543.36786	34.0
561.37946	31.6
579.32336	3.3
579.39905	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	579.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33471	0.7
51.62078	0.8
55.05522	4.6
57.03430	2.0
57.07080	18.3
57.69714	0.7
59.05009	1.8
65.03923	1.3
67.05510	47.2
69.07070	5.6
69.22292	3.7
69.22720	4.5
71.04998	1.7
71.08638	12.6
72.64402	0.8
79.05512	1.0
81.07061	13.6
83.08636	6.9
85.06540	1.4
85.10189	8.2
91.05480	2.4
93.07058	2.9
95.08617	11.4
97.10168	1.9
97.67211	0.8
107.08662	0.9
109.10166	40.7
111.08081	1.0
111.11710	0.9
113.00026	7.9
119.08607	2.8
119.99622	0.8
123.11726	2.0
123.25962	0.8
133.12415	0.9
137.09663	1.5
145.71552	0.8
155.10681	2.4
156.37601	0.8
161.64633	0.8
169.02614	7.2
173.11775	7.8
229.14409	1.5
239.23724	3.6
246.32141	0.8
313.27402	2.4
407.25650	1.6
467.37387	100.0
559.37231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1711
Annotation	Swertisin 2''-O-xyloside
Peak:m/z	Relative Intensity
61.02926	2.7
65.03938	2.2
69.03081	2.0
69.03436	37.4
69.20506	11.5
69.20927	5.8
85.02918	4.8
97.06513	2.1
107.04984	2.4
115.70842	1.7
119.04962	7.9
121.02016	1.8
121.02875	37.2
135.04466	3.6
137.06000	1.8
145.02844	5.2
145.06511	1.7
161.02228	1.6
161.05962	2.4
163.03937	3.8
173.02431	3.5
173.05946	3.0
175.03879	2.3
177.01880	3.7
179.03423	2.9
185.06013	2.0
189.01819	11.0
191.03435	6.0
195.02959	3.5
199.03807	2.3
201.01802	2.3
203.03377	10.6
207.02988	4.7
213.05467	3.2
215.03395	3.4
217.04991	1.9
219.02946	8.1
221.04538	3.2
225.05452	1.7
229.04916	4.3
241.04974	6.3
255.03023	1.9
257.04529	3.7
259.06039	2.6
261.04010	1.9
264.15952	2.5
267.06668	2.1
268.07208	4.2
269.04428	3.5
277.95514	2.1
279.06567	6.1
280.07285	3.2
281.08139	4.8
283.06030	7.9
284.06882	3.8
293.08026	4.1
294.05240	28.3
294.08383	3.2
295.06009	43.6
295.09308	2.7
296.06665	4.5
297.07623	6.5
305.08069	3.4
307.05997	43.3
307.09515	2.5
308.06781	19.2
309.07578	16.1
313.07065	6.3
319.06128	8.0
319.09631	2.6
320.06686	2.0
321.07562	27.9
322.08258	6.5
323.09146	5.1
325.07040	38.9
331.09793	3.5
331.17532	2.0
333.07550	12.9
334.08234	7.2
335.05753	2.2
335.09158	11.5
336.06354	5.5
337.07077	79.3
337.11163	4.1
339.08533	3.8
343.09549	8.6
345.07651	4.9
347.09204	10.6
349.07071	25.2
349.10840	2.9
351.08658	20.7
355.08173	19.7
357.07425	2.7
359.09097	12.7
361.07025	9.5
361.10880	3.8
362.07605	2.7
363.08710	13.9
367.08194	5.4
369.07608	2.1
373.06262	1.9
375.08578	26.6
376.09225	2.2
377.10239	11.5
379.08124	50.5
387.08661	24.9
389.10266	4.1
391.08020	8.6
393.09723	6.9
401.10214	5.5
403.08145	6.2
405.09714	52.3
409.09113	5.5
415.11862	3.6
417.09915	4.5
421.09283	5.8
423.10770	85.5
427.10248	12.5
429.09741	5.5
435.10892	2.9
439.10159	5.9
441.11853	57.5
443.10986	2.6
447.10736	8.2
457.11316	19.7
459.11554	5.7
463.10107	5.5
471.10846	4.2
475.12354	19.0
481.11337	25.7
483.11722	2.7
489.11636	9.8
499.12424	24.4
507.12930	17.8
525.13965	100.0
535.23346	2.9
543.14929	56.5
561.16168	14.7
579.15875	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	2.3
64.70897	1.8
67.83829	1.9
68.73254	2.0
69.03432	15.7
70.33818	7.8
79.53667	1.7
85.02905	3.2
96.01031	2.4
110.72787	2.1
111.04440	2.6
119.04945	7.6
121.02877	37.4
145.02817	5.0
161.05930	2.4
175.10789	2.0
177.01854	5.8
179.03409	3.9
187.03944	3.8
189.01811	10.1
191.03412	4.5
195.02890	7.0
201.01819	3.3
203.03403	11.9
207.02980	7.3
215.03284	2.4
219.02913	5.6
221.04510	3.4
229.05005	5.7
233.04457	2.9
247.05956	2.1
257.04453	3.9
267.06500	3.6
268.07446	4.7
279.06589	5.5
281.07999	6.4
283.06033	6.7
285.04013	2.8
293.08078	6.2
294.05246	25.2
295.06042	62.4
295.09360	4.8
296.06644	10.1
297.07446	10.3
307.06039	45.2
308.06882	19.4
309.07599	15.7
313.07074	5.1
319.05905	7.4
321.07578	28.7
322.08279	12.7
323.05353	5.5
323.08990	5.8
325.07077	100.0
331.09445	2.7
333.07663	9.9
335.05557	3.8
335.09167	10.7
336.06165	2.8
337.07114	65.1
337.10977	3.0
339.08652	2.9
345.07483	2.5
347.05554	2.6
347.09204	16.1
349.07050	27.9
349.10999	3.9
351.08636	24.9
355.08194	17.9
359.08975	2.8
361.07043	11.6
362.07733	2.8
363.08554	7.9
365.10306	14.4
367.08066	4.9
373.07126	4.1
375.08688	24.3
377.10443	3.1
379.08136	43.1
385.07037	4.2
389.10294	2.9
391.08029	20.0
393.09756	33.7
403.08170	22.7
405.09821	11.2
409.09232	31.5
411.10815	38.9
415.10919	3.1
421.09244	21.8
423.10651	5.0
427.08240	2.5
429.11929	9.9
439.10355	21.4
441.11694	21.1
445.09152	3.5
447.10867	11.7
457.11340	65.2
459.12961	17.9
465.11826	24.7
471.10608	4.4
477.11972	2.9
483.12906	27.3
489.11655	9.3
495.12839	23.7
507.12912	22.0
513.14001	19.8
525.14008	34.2
543.14996	34.9
561.16010	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	578.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02130	1.0
53.03937	2.3
55.01872	1.8
55.05512	12.9
57.03435	7.1
57.07066	1.4
67.05505	36.8
69.07079	10.3
69.86445	2.8
70.09534	1.0
70.68085	1.0
71.04971	2.2
79.05496	30.4
79.52795	1.1
81.03409	1.2
81.07056	34.0
83.04980	3.6
83.08619	5.1
91.05482	12.8
91.52383	1.3
93.07050	38.4
95.04959	4.9
95.08614	42.6
97.02890	1.9
97.06521	2.0
97.10191	1.2
98.21427	2.1
99.04498	2.1
99.08118	1.0
105.07041	10.8
107.04948	4.9
107.08595	23.3
109.06497	1.3
109.10176	8.1
113.05994	1.2
117.07016	7.3
119.08578	7.9
121.06488	3.0
121.10148	14.2
123.08064	1.9
123.11656	2.0
125.06022	1.7
131.08582	2.4
133.10158	5.8
135.08052	1.4
135.11688	31.5
135.12711	1.6
145.10118	16.5
147.11664	1.4
159.11728	2.1
163.11185	30.8
172.77025	1.1
181.12254	4.7
209.11674	1.1
227.10516	2.6
227.12791	50.4
239.36655	1.2
243.21149	2.0
261.22165	4.9
283.15411	38.3
335.25809	100.0
357.97653	1.4
543.36816	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	578.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	4.2
54.02561	2.2
55.01868	4.6
55.05516	13.0
57.03433	8.0
57.07066	3.5
62.72926	2.2
65.12881	2.5
67.05173	3.5
67.05509	40.3
69.07059	10.2
69.18375	25.9
70.85260	2.6
79.05506	39.8
80.56129	2.5
81.07068	44.9
83.05000	3.3
83.08620	7.5
90.43961	2.5
91.05492	17.1
93.07050	52.4
95.04957	6.0
95.08617	59.2
97.02880	3.4
97.06503	3.4
99.04451	4.0
105.07021	12.8
107.04962	6.7
107.08611	39.0
109.10172	11.2
111.04452	2.7
113.90154	2.2
117.06985	12.2
119.08614	16.1
121.06499	6.8
121.10137	16.3
125.05942	3.8
125.45978	2.2
131.08614	3.3
133.10146	7.0
134.30821	2.7
135.11707	53.1
139.99927	2.3
145.10138	29.2
147.11740	2.9
149.13312	2.8
153.12854	2.4
163.11206	60.6
180.62106	2.4
181.12242	7.2
187.14839	2.5
201.94876	2.7
227.12805	100.0
261.22168	6.9
283.15414	86.1
317.24896	4.3
335.25815	98.8
343.17984	2.4
380.01810	2.8
427.28061	2.6
468.98581	2.7
470.21930	2.6
481.77979	2.5
543.36829	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	578.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
56.00414	1.6
57.03425	5.9
59.04992	4.6
62.02486	1.9
69.53448	4.4
69.53861	9.0
72.01123	1.4
81.03416	2.0
85.02892	8.1
85.85007	1.4
87.04463	10.8
89.06034	79.1
91.05499	2.1
93.03405	3.1
104.53183	1.7
109.02871	3.3
119.04929	9.5
120.05279	4.6
121.02875	44.7
122.03217	14.9
131.07060	4.1
132.22421	1.6
133.08609	52.1
135.04410	2.1
137.02409	1.5
145.02837	2.8
146.03154	2.1
147.04420	2.1
159.04361	1.8
161.02368	1.8
163.03941	3.1
165.01866	3.4
173.02313	2.8
175.03920	3.6
177.01799	6.9
177.11229	20.3
178.02168	3.4
179.03384	4.8
180.03737	1.6
180.91544	1.7
187.03778	3.0
188.04161	2.7
189.01814	14.0
190.02271	6.9
191.03357	7.3
192.03799	3.2
195.02902	7.1
196.03238	4.1
197.04503	1.9
201.05342	2.8
202.02211	2.5
203.03398	11.7
204.03748	8.3
205.04851	2.6
207.02847	8.6
208.03207	5.4
215.03424	2.6
217.01239	2.0
217.04997	8.2
218.05283	5.0
219.02882	7.1
220.03256	5.7
221.13892	4.9
222.04858	2.0
227.03311	2.5
229.01337	2.3
229.04959	2.1
230.05307	3.5
231.02809	2.7
232.03247	2.5
233.04434	2.6
234.04305	1.7
240.03799	3.4
240.07187	1.9
241.05063	3.1
243.02820	3.0
244.03236	2.3
246.04855	2.2
255.02859	3.3
255.06540	2.8
256.03183	4.8
256.06918	1.8
257.04382	4.2
258.04895	2.1
264.07397	2.0
267.06512	2.1
268.07129	3.8
269.07809	6.4
274.04291	2.0
279.06534	4.2
280.06873	6.6
281.07846	6.2
282.08252	4.1
283.06042	11.4
283.17581	2.0
284.06412	16.5
285.07056	3.2
292.06927	2.8
293.07901	4.9
294.05173	9.7
294.08444	7.5
295.05954	76.9
295.09378	3.9
296.06393	92.5
297.07272	14.8
298.04587	2.8
298.07858	16.6
305.08096	2.2
306.08466	2.6
307.06058	34.2
308.06415	78.5
309.04077	1.9
309.07339	33.2
309.18961	2.0
310.04361	4.8
310.07870	35.3
311.05380	5.9
312.05878	7.9
313.06882	6.0
314.07401	6.2
317.08133	2.2
318.08350	3.7
319.05911	4.8
320.06424	15.8
321.07480	25.2
322.05020	2.3
322.07971	47.1
323.05298	8.8
323.08804	15.1
324.05817	14.3
324.09503	8.4
325.07034	44.2
326.07419	85.2
327.07968	6.5
330.08664	4.1
332.06485	2.7
333.07581	4.1
334.07907	11.5
335.05417	5.6
335.09067	12.1
336.05786	14.2
336.09476	28.9
337.07013	38.6
337.10712	1.6
338.07407	74.5
340.08829	3.3
341.06372	2.8
342.06934	4.4
345.07193	2.4
346.07837	4.1
347.09061	8.1
348.05841	5.0
348.09500	12.7
349.06985	11.5
350.07404	35.5
351.08710	12.1
352.05170	3.0
352.08957	22.0
353.06506	6.1
354.06885	8.4
355.07986	4.5
356.08469	6.5
358.07791	2.3
360.09708	2.8
361.06927	7.9
362.03439	2.2
362.07422	23.3
362.11316	1.9
363.08353	11.5
364.09033	25.4
365.06308	10.3
365.10538	2.9
366.06854	27.4
366.10745	9.5
367.07791	3.4
368.08252	3.1
374.07419	12.3
375.08481	5.2
376.08972	16.8
377.06467	4.0
378.06732	16.5
379.08026	12.1
380.08499	37.4
382.09869	3.8
384.08148	2.5
386.07269	6.1
388.08920	4.5
390.06876	5.2
390.11017	3.5
391.08014	15.0
392.08453	56.2
393.09473	5.6
394.10095	8.6
395.07584	2.6
396.07657	8.8
398.09177	2.2
402.06598	2.9
403.07932	7.7
404.08380	23.2
404.12839	2.4
406.09845	3.5
408.07880	6.1
409.09149	22.6
410.09521	74.2
410.14938	4.1
411.10190	2.2
416.08716	2.8
418.09833	5.4
419.07834	3.0
420.07996	12.3
421.09045	5.8
422.09549	28.6
427.10205	8.9
428.10641	37.4
432.08060	4.9
434.09509	5.3
436.10706	3.8
438.08990	6.1
439.10114	10.3
440.10638	48.2
444.07977	3.0
448.11346	2.9
450.08694	3.2
457.11349	18.6
458.11639	78.2
459.12039	2.8
459.27710	2.4
460.10989	5.8
462.08871	5.1
464.10699	28.7
476.10782	11.6
478.11969	5.7
480.10019	3.5
481.11362	10.8
482.11691	100.0
483.11774	3.3
488.10651	10.5
493.10928	3.4
494.11734	34.4
503.30338	12.2
506.04581	3.4
506.11658	38.6
511.12381	4.1
512.12756	58.5
513.13116	2.5
524.05530	3.3
524.12811	57.4
525.14001	2.2
542.13782	91.4
543.13806	4.8
560.06244	3.5
560.14783	56.6
561.34814	3.4
578.15710	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	578.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.7
53.04133	0.4
53.06263	0.4
55.01842	0.8
57.03395	2.1
59.04966	1.0
61.02889	1.5
69.03432	10.5
70.07523	2.0
71.04962	0.9
73.02898	1.1
73.15533	0.4
81.03425	9.6
85.02910	11.7
87.00784	1.4
89.06030	2.9
97.02901	6.4
99.04469	3.5
103.03911	1.1
109.02888	7.2
119.04924	0.5
121.02827	1.4
127.03925	6.8
127.82893	0.5
131.40247	0.5
133.08549	1.5
143.04871	0.4
145.04944	0.6
177.11183	0.6
178.08713	0.8
178.71248	0.5
181.06534	0.7
183.07980	0.7
187.06017	1.8
189.01880	0.6
191.14308	1.2
194.07399	0.5
195.08018	1.6
203.03400	0.6
207.08047	0.8
209.09532	3.0
210.10336	2.8
211.07529	1.9
216.10159	0.7
219.08038	0.8
221.09666	1.0
221.13977	0.5
222.10347	2.1
223.07550	3.3
223.11118	0.6
224.08337	1.6
225.09106	1.6
226.09885	3.5
227.10706	1.0
229.04839	0.5
235.07501	1.9
237.09177	4.4
238.09929	10.3
238.12300	0.5
239.07047	1.8
239.10696	3.6
240.07756	0.6
240.11307	0.5
241.08603	2.1
241.12283	4.1
242.09402	0.8
243.10065	0.6
249.09131	1.0
250.09947	4.8
251.07030	1.1
251.10564	0.6
252.07904	0.6
252.11317	1.0
253.08771	0.8
253.12230	3.2
254.09430	5.5
255.06332	0.7
255.07253	0.5
255.10184	8.0
256.10989	0.9
265.08456	0.6
266.09372	1.3
267.10172	7.5
268.11041	2.4
269.08151	3.2
269.11737	24.7
270.12512	16.5
270.15442	0.9
271.09756	2.6
272.10275	1.1
281.11743	13.1
282.09637	0.9
282.12527	12.0
283.09665	1.8
283.17545	1.5
284.10483	5.3
285.11160	1.3
286.12067	5.3
295.05939	2.1
296.06265	2.2
298.11774	5.3
298.14154	0.8
299.12683	0.7
300.12747	0.7
301.14355	2.1
307.05991	0.8
308.06342	1.1
309.07251	0.5
310.04715	0.6
310.08005	0.8
311.05197	0.8
313.14365	3.8
315.14767	1.1
322.08005	1.4
323.05386	2.0
324.05942	4.0
325.06912	1.3
326.07565	1.1
328.15451	1.3
330.17004	100.0
336.06073	0.7
336.09647	1.0
337.06854	0.7
338.07440	1.2
341.21606	0.8
348.09509	0.6
350.07245	1.1
352.09146	0.8
353.06509	2.0
354.06900	3.3
362.07361	1.1
363.08713	0.5
364.09024	1.2
372.18076	1.1
378.06818	0.8
380.08591	0.6
392.08356	1.1
399.25864	1.1
402.07144	0.7
407.07593	0.6
408.07883	2.5
410.09674	1.5
420.07916	0.8
422.09604	1.1
428.10663	1.9
438.09085	1.2
440.10684	1.3
456.09930	0.6
458.11734	3.2
464.10550	1.0
482.11877	3.4
492.22443	4.8
494.12186	0.7
506.11972	0.7
512.12891	1.6
524.12915	1.9
534.23395	38.3
542.13721	3.9
560.14771	1.9
578.22375	83.1
579.23126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.5
55.01863	0.8
57.03424	1.4
61.02924	1.1
62.05120	0.6
62.27728	0.7
62.57697	0.6
69.03094	0.9
69.03436	10.2
69.27864	6.6
71.04968	0.9
71.25726	0.7
73.02916	2.0
81.03427	9.0
85.02438	0.7
85.02908	9.8
87.00822	1.7
91.05448	2.8
97.02934	4.6
98.21517	1.3
98.53841	0.7
99.04433	2.9
103.03915	1.2
107.63434	0.6
109.02880	7.2
109.06622	0.9
115.05476	5.9
119.04962	1.8
121.06488	1.4
122.03648	1.3
124.03986	0.8
127.03931	8.3
131.04828	0.8
135.07980	0.8
137.05992	31.3
143.04933	14.4
145.05020	1.4
148.07547	0.7
149.06004	1.0
151.07565	8.9
160.05196	2.1
161.05997	0.8
163.07510	1.4
175.06067	1.0
175.07561	14.3
177.03529	0.7
177.07858	12.3
178.08603	2.1
179.07036	0.7
179.08595	1.0
187.06096	1.7
192.10217	100.0
195.08072	1.7
207.08112	2.8
223.07635	1.5
227.10732	1.9
235.07581	2.0
239.07144	0.8
239.10687	2.7
248.10976	0.7
255.10257	1.4
267.10175	4.8
287.12814	2.1
291.09692	0.7
299.12799	7.4
312.56662	0.7
328.15549	0.9
330.17026	67.8
401.27875	0.7
403.55203	0.7
410.09610	0.7
458.74332	0.7
482.11969	0.8
492.22571	1.8
534.23480	18.4
578.22382	84.2
579.23071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.2
54.94084	0.4
55.01868	0.6
56.52148	0.4
57.03426	0.8
61.02919	0.7
68.01542	0.4
68.99770	0.4
69.03436	6.0
69.52184	3.1
70.29219	0.3
71.04964	0.7
73.02910	1.0
81.03423	6.0
84.04525	0.5
85.02910	6.3
87.00803	1.3
91.05496	3.4
94.04163	0.5
95.04952	0.8
97.02905	3.6
98.20686	0.4
99.04433	1.5
103.03934	0.5
103.05495	0.5
107.04945	0.8
109.02878	5.2
109.06509	0.9
111.04404	0.5
115.05457	8.4
117.06998	0.6
119.04946	2.6
121.02844	1.5
121.06496	0.7
122.03632	1.3
127.03928	4.8
129.06964	0.4
130.04962	0.4
131.04901	1.3
135.04396	0.4
136.05194	0.6
137.05986	39.6
141.40764	0.4
143.04932	22.7
144.05746	0.5
145.04938	1.2
145.06386	0.9
147.08034	0.6
149.05962	1.2
151.07550	16.3
160.05229	3.1
160.07607	0.5
161.06010	0.8
162.09181	0.5
163.06270	3.8
163.07578	1.5
165.09261	0.5
166.07822	0.4
167.08615	1.4
174.06927	0.5
175.07555	23.3
176.10799	0.6
177.07852	12.5
177.09290	1.0
178.08646	32.2
179.08574	1.4
180.10213	0.6
181.06525	0.7
187.06023	2.5
189.09021	0.9
190.08681	0.6
192.10204	100.0
193.10881	0.8
195.08037	2.2
197.05998	0.5
203.03392	0.6
204.03818	0.6
205.04173	0.4
207.08124	2.5
212.08344	0.5
220.09630	0.9
223.07588	0.6
224.08417	0.7
227.10707	4.0
235.07541	2.1
236.08199	0.6
237.09126	0.5
239.10747	1.8
241.08745	0.5
241.12306	0.6
248.11237	0.8
249.09245	0.5
250.74995	0.4
253.12257	0.6
255.10078	1.8
267.10196	4.6
269.08301	0.5
269.11636	0.7
280.11777	0.9
281.11771	0.9
287.12823	1.6
295.06207	1.8
296.06281	2.3
299.09671	0.7
299.12787	7.7
307.06210	0.6
308.06439	1.6
309.07181	0.6
313.14322	2.0
321.07425	0.7
322.07959	2.0
323.08673	0.6
325.07059	1.3
326.07428	2.2
328.15430	0.7
330.17014	64.7
331.17499	0.7
336.09683	0.5
337.06998	0.6
338.07373	1.3
347.09183	0.5
349.06903	0.5
350.07495	1.9
351.08627	0.7
352.09045	1.2
362.07413	1.0
364.09390	0.4
372.18060	0.7
379.08173	0.5
380.08585	1.7
382.15005	2.6
391.08615	0.4
392.08502	1.1
396.16559	0.7
404.08539	1.8
410.09512	1.9
422.09799	0.4
426.13974	2.3
428.10742	2.2
440.10782	0.7
440.15744	3.0
458.11725	4.1
464.11081	0.6
482.11600	2.7
492.22534	1.4
500.12668	2.4
512.12817	1.4
524.12921	1.1
530.13770	0.7
534.23401	11.2
540.58936	0.4
542.13916	1.7
560.14966	1.3
578.22375	67.3
579.22687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79678	0.4
54.62853	0.4
55.01857	0.6
55.05505	1.6
63.20408	0.4
67.05513	3.5
67.83687	0.5
69.07066	1.5
70.96191	0.6
71.04989	0.5
79.05505	3.0
81.07065	5.2
83.08622	0.6
85.06557	0.6
89.86154	0.4
90.64951	0.4
91.05476	2.1
93.07052	2.2
95.04971	0.9
95.08623	1.4
97.06538	0.9
97.10166	0.5
105.07019	2.6
107.08605	2.2
109.06525	0.6
109.10189	1.0
117.07008	0.5
119.08575	1.4
121.02949	0.5
121.10145	1.2
123.11736	1.2
131.08603	0.7
133.10129	1.3
135.11664	0.7
137.06052	0.5
145.10110	1.0
147.11725	2.3
149.09653	0.8
151.11127	0.5
153.90068	0.5
154.20441	0.5
161.94611	0.5
165.12730	1.2
199.40041	0.5
203.03369	0.5
219.02002	0.6
259.32086	0.5
267.15955	2.6
270.05884	0.4
275.20142	1.9
283.75195	0.4
285.17029	1.7
295.06128	1.1
307.06134	0.6
316.98923	0.5
349.07281	0.5
349.23700	0.8
499.11865	0.5
541.35577	0.6
559.36157	1.5
577.39233	100.0
578.39606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
57.07069	0.6
67.05510	3.9
69.07079	1.0
71.04990	0.9
71.56985	0.8
79.05499	2.6
81.03420	0.7
81.07066	4.7
83.08646	0.7
91.05482	3.4
93.07056	3.2
95.04979	0.8
95.08596	2.6
97.06554	0.6
97.10178	0.8
105.07063	2.7
107.08595	2.0
109.10159	1.3
117.07027	1.0
119.08596	2.3
121.10175	0.9
121.59619	0.5
123.11726	0.7
129.06996	0.7
131.08580	1.7
133.10126	1.3
145.10139	1.2
147.11710	1.4
149.09573	0.6
161.13303	0.5
173.13313	0.9
227.12872	0.7
230.02388	0.5
250.58087	0.6
267.16156	1.3
275.20108	0.9
285.17151	0.8
295.06073	0.8
301.25348	0.8
306.92505	0.7
335.25873	0.6
356.50961	0.5
366.75357	0.6
451.88800	0.6
525.28992	0.6
527.37555	3.0
528.11304	0.5
545.38977	2.9
559.37372	2.0
577.37140	100.0
578.37714	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.5
67.05501	1.5
69.25720	3.2
69.26151	1.4
71.04971	0.5
77.96175	0.5
79.05486	0.5
81.07054	1.6
87.06913	0.5
91.05498	0.7
93.07021	0.9
95.08613	0.9
98.20793	1.0
105.07030	1.1
107.08646	0.6
133.10161	0.9
230.54723	0.6
295.06027	0.6
353.20389	0.6
364.17868	0.5
378.89575	0.5
541.13898	0.7
559.36786	0.8
577.37158	100.0
578.37378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
57.03448	4.1
61.02941	2.9
69.03429	7.9
70.06592	7.8
70.83499	7.4
81.03429	8.5
84.08151	4.0
85.02908	14.2
85.42408	2.5
86.03260	4.0
86.09697	3.0
91.05513	3.0
97.02892	2.9
99.04490	4.4
107.04955	5.9
109.02860	6.8
119.04930	11.1
121.02866	36.7
121.96850	2.8
127.03899	7.8
143.04941	3.8
145.02859	3.3
151.07562	3.2
175.03867	3.6
177.01920	7.0
177.05499	5.5
178.08681	8.6
179.03394	2.9
189.01846	10.3
191.03400	6.1
195.02885	9.1
203.03433	19.9
205.06613	5.0
206.06851	4.3
207.02888	7.3
208.76782	2.7
213.12419	5.4
217.05069	9.3
219.02899	5.6
221.04367	3.9
229.05086	6.4
233.06096	4.4
234.06490	3.4
237.09175	3.3
238.09442	7.0
243.02943	5.4
243.06696	3.3
245.04532	3.1
255.03003	5.4
265.08542	21.5
266.08942	30.1
267.06619	5.0
268.07254	9.1
273.03860	2.9
279.06543	5.4
281.08017	5.0
282.89169	3.2
283.05948	16.3
294.05130	13.9
295.06030	100.0
296.06766	10.2
297.07626	15.1
297.11279	11.4
298.08551	3.3
298.11563	17.5
307.06000	81.9
307.09555	4.8
308.06842	20.7
309.07611	21.9
313.07074	4.9
319.05939	9.7
320.06873	9.9
321.07535	51.9
322.04794	4.2
322.08441	7.9
323.05515	10.1
323.08795	5.4
325.07077	73.7
325.10876	3.7
328.15308	9.0
329.15894	19.1
331.05865	4.7
333.07602	9.3
335.05466	6.8
335.09143	31.1
336.06351	4.2
337.07117	58.3
339.04944	3.3
339.08832	5.7
345.07739	6.8
347.09109	13.5
349.07013	46.3
349.10815	3.9
350.07822	4.5
351.04913	3.2
351.08621	17.0
353.06509	9.8
355.07736	3.8
361.06943	24.8
363.08725	21.6
365.06433	10.4
365.10236	6.4
367.08026	9.3
373.07080	12.7
375.08698	19.9
377.06454	9.0
377.10678	3.1
379.08234	26.8
385.07123	7.2
389.06116	4.0
389.10666	3.6
391.08105	53.1
393.09491	7.6
397.08853	4.0
403.08130	17.4
407.06927	5.1
409.09174	55.1
415.08463	6.1
417.09692	5.0
419.07593	3.6
421.09009	24.8
427.10168	22.8
437.08148	3.4
439.10260	47.3
445.09286	4.5
451.09995	3.4
457.11472	53.1
459.61215	3.0
463.10220	16.0
469.10089	2.7
475.10126	11.5
481.11356	66.5
487.10184	11.6
493.11200	27.3
499.12354	4.8
505.11453	22.2
511.12354	19.8
523.12329	33.8
541.13458	53.4
559.14484	27.7
577.21478	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	577.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65164	1.8
60.58434	1.8
69.52705	8.0
69.53126	5.2
76.53414	1.8
85.02900	4.4
93.03398	1.9
98.21544	3.4
107.04977	2.1
119.04951	6.8
121.02879	30.1
145.02939	2.7
150.91283	2.2
163.03873	2.9
165.01778	3.0
177.01839	5.3
177.05441	2.2
179.03453	4.4
189.01877	15.0
190.02585	3.0
190.21312	2.0
191.03404	4.9
195.02907	6.8
201.01785	2.6
203.03372	18.0
205.92497	2.1
207.02899	7.7
211.03839	3.1
215.03409	3.6
217.01443	2.6
217.04979	8.2
219.02919	2.6
221.04475	4.2
227.03369	3.9
229.05013	3.2
231.02957	3.5
239.03278	2.2
239.07288	3.2
241.05055	2.2
243.02875	3.3
255.02898	7.1
267.06589	4.4
268.07285	4.7
277.01669	1.9
279.06573	3.8
281.08182	2.9
283.06003	23.0
284.06885	2.1
292.07355	3.1
293.07993	4.5
294.05222	10.6
295.06030	100.0
296.06787	9.4
297.07599	19.4
298.08493	2.3
307.06006	78.4
307.09537	4.7
308.06787	17.8
309.04391	3.6
309.07581	21.7
312.06219	3.4
313.06940	3.3
317.08075	3.5
319.06094	8.2
320.06818	5.7
321.07559	43.6
322.04788	2.4
322.08374	7.2
323.05490	8.6
323.08881	3.7
324.06250	3.4
325.07071	73.3
326.07764	5.0
329.08264	2.1
333.07593	6.7
335.05341	8.3
335.09189	24.2
336.06174	7.4
337.07098	45.1
337.11057	2.4
345.07620	7.6
346.08362	2.8
347.05441	3.1
347.09216	12.5
349.07062	34.3
349.10931	3.5
350.07877	4.4
351.08685	13.9
353.06552	8.6
355.07962	3.0
357.07666	4.6
361.06979	24.1
362.07703	3.2
363.08621	24.0
365.06512	8.7
365.10233	4.6
367.08136	4.4
373.07043	8.6
375.08554	7.9
377.06387	9.6
378.07419	4.6
379.08087	20.9
381.09604	2.7
385.06976	4.4
387.08530	3.4
389.10339	2.8
391.08142	52.8
393.09827	5.6
395.07629	3.5
403.07990	12.8
407.07361	2.1
409.09192	64.5
417.09311	3.3
419.07501	3.6
421.09235	19.9
427.10239	28.8
437.08255	4.0
439.10318	34.0
449.12378	3.2
455.09415	2.0
457.11349	53.0
459.10535	2.5
463.10141	14.8
475.10229	6.9
481.11331	66.3
487.10199	9.7
493.11288	22.7
505.11380	22.2
511.12332	29.3
523.12439	36.5
541.13397	50.9
559.14575	33.3
577.15594	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	577.1553
Annotation	Maysin
Peak:m/z	Relative Intensity
59.46167	1.8
69.39219	3.9
69.39614	13.4
71.39233	1.7
71.91332	1.7
75.05940	1.6
82.65073	1.7
85.02892	2.7
87.04435	2.3
98.20820	4.5
102.42568	1.9
107.04980	3.1
119.04977	6.4
121.02880	31.1
133.58163	1.8
135.38824	1.7
145.02826	2.4
177.01857	6.0
179.03410	4.5
187.03893	2.6
189.01810	11.4
190.02626	2.0
191.03455	4.5
195.02917	7.6
199.03941	3.1
203.03333	12.3
207.02884	5.6
207.38701	1.8
217.04996	6.5
221.04510	2.6
231.02663	2.0
243.03108	3.2
255.03004	3.3
257.04419	2.5
267.06580	2.0
268.07266	2.6
279.06485	6.0
280.07349	2.3
281.07968	3.0
283.06000	20.9
284.06927	2.9
293.07999	3.6
294.05338	12.0
295.06018	100.0
296.06787	7.7
297.07535	18.1
307.06015	69.1
308.06808	12.1
309.07516	17.2
312.06387	3.4
313.07077	3.0
317.08093	5.1
319.06049	7.9
320.06793	5.5
321.07581	43.3
322.04916	3.5
322.08334	8.9
323.05444	6.8
323.08932	3.2
324.06393	2.0
325.07053	67.6
326.07870	6.7
333.07660	7.5
334.04755	3.9
335.05405	7.6
335.09128	23.5
336.06326	4.7
337.07080	46.4
337.11038	2.6
339.08575	2.5
345.07590	5.8
347.05505	2.9
347.09128	10.7
349.07071	38.1
350.07758	5.7
351.08716	17.6
353.06546	7.3
355.08023	2.0
361.07156	17.9
362.07727	2.8
363.08682	20.0
365.06439	9.2
365.10483	2.7
367.08096	5.4
373.07187	10.7
374.07755	2.5
375.08615	10.6
377.06345	10.1
378.07230	3.1
379.08191	28.3
385.07086	4.6
387.08676	2.6
391.08105	42.8
393.09744	7.8
403.08051	16.0
407.07205	2.3
409.09140	44.8
415.09839	2.7
417.09534	3.9
419.07523	3.5
421.09021	15.3
427.10297	20.1
435.10883	4.4
437.08374	2.8
439.10242	24.7
445.08835	3.2
449.12091	3.3
457.11386	41.4
459.10602	2.9
463.10449	13.5
475.10251	8.9
477.11545	2.4
481.11353	55.3
487.10025	5.9
493.11157	17.9
505.11319	21.5
511.12329	25.5
523.12274	22.0
541.13477	45.3
559.14447	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.7
65.03935	2.4
67.71443	2.4
69.44949	14.9
85.02910	4.1
94.62148	2.2
103.03946	3.7
107.04956	3.3
119.04948	8.9
121.02869	33.1
133.28790	2.4
145.02896	4.5
161.05930	2.9
175.03923	5.0
177.01857	6.7
179.03458	3.4
187.03824	3.2
189.01852	9.0
191.03387	2.9
195.02930	4.9
203.03387	15.6
207.02946	7.5
215.03444	2.9
217.01382	2.6
217.04967	9.2
219.02928	4.6
221.04549	3.3
227.03468	2.8
229.04901	4.6
267.06479	2.9
268.07367	5.1
276.12253	2.3
279.06635	4.7
281.08157	3.3
282.05197	3.0
283.05942	17.7
284.06802	4.2
293.08215	4.4
294.05350	12.1
295.06027	94.5
295.09384	5.1
296.06772	6.1
297.07605	17.6
307.06033	65.3
307.09528	5.2
308.06760	20.0
309.04175	4.4
309.07529	25.9
313.07077	8.2
317.08063	3.5
318.09052	2.6
319.06082	12.3
319.09485	3.5
320.06711	8.7
321.07565	38.4
322.04761	2.5
322.08350	7.8
323.05582	5.6
323.09213	7.6
325.07080	76.3
326.07785	5.4
333.07782	11.3
335.05487	5.8
335.09195	19.5
336.06323	7.2
337.07065	57.4
337.11063	3.7
339.08643	10.3
345.07410	5.0
347.05524	4.5
347.09329	9.6
349.07037	43.5
349.10870	4.8
350.07962	4.3
351.08710	17.6
353.06473	11.3
355.08194	2.8
357.07666	4.5
361.06915	15.5
361.10855	2.9
363.08585	21.6
365.06360	8.4
365.10199	18.7
367.07697	5.2
373.07147	8.8
375.08633	15.6
377.06543	7.8
377.10541	5.7
379.08130	27.8
381.09525	3.1
385.06985	3.7
387.08536	3.2
389.10315	5.6
391.08112	31.7
393.09677	15.8
403.07901	15.0
405.09616	4.4
407.07486	4.6
409.09192	38.9
415.09546	3.6
417.09830	6.3
421.09146	48.3
427.10257	36.4
439.10300	100.0
444.06589	2.8
445.09329	4.1
455.09677	3.6
456.10822	2.9
457.11380	55.0
463.10318	12.9
475.10434	7.3
481.11319	42.1
487.10260	6.5
493.11127	18.7
495.12744	5.1
505.11356	20.3
511.12405	17.2
523.12421	45.7
539.85107	2.5
541.13367	73.0
559.14508	54.3
577.15430	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	577.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.1
60.88187	4.1
64.24747	5.1
69.89931	10.0
69.90347	9.5
72.91792	3.6
85.02930	4.0
91.05470	4.4
98.20789	5.0
112.55466	4.0
119.04930	12.0
121.02875	37.9
145.02834	6.1
152.39090	4.8
166.29897	4.1
177.01860	7.6
178.08607	7.4
188.56624	4.0
189.01846	11.1
195.02934	6.1
201.05487	4.4
203.03436	5.1
207.02876	7.3
217.04890	7.4
219.02919	5.0
227.03453	5.8
267.06528	5.5
268.07394	8.8
274.55524	4.1
279.06476	7.3
280.07120	4.7
283.05945	12.7
284.06839	5.7
294.05243	10.2
295.06052	100.0
296.06918	7.6
297.07495	19.9
307.06027	68.4
308.06732	16.4
309.04526	4.3
309.07428	19.6
313.07120	6.1
319.05942	10.4
320.06967	5.5
321.07486	37.4
322.08356	7.1
323.05508	11.0
325.07111	75.7
330.17245	9.7
333.07611	9.9
335.05307	10.4
335.09119	25.8
336.06351	6.1
337.07040	67.9
339.08728	6.8
347.05185	4.4
347.09177	12.4
349.07016	38.6
351.08618	24.2
353.06635	30.4
355.08423	5.3
361.06775	18.7
363.08673	15.2
365.06406	16.7
365.10336	12.4
367.08221	6.5
373.06931	7.5
375.08472	11.8
377.06525	14.1
378.07422	4.1
379.08197	29.8
381.09598	5.0
385.06989	9.0
391.08228	33.8
393.09741	17.0
395.07495	6.7
403.07993	13.2
405.09500	6.0
409.09134	33.5
419.07364	4.8
421.09232	38.8
427.10388	28.2
439.10239	84.1
443.44308	5.5
445.09546	4.1
457.11310	45.8
459.10916	4.7
463.10144	9.8
463.49161	4.1
477.11255	4.3
481.11295	32.8
486.96655	4.2
493.11249	12.2
495.13293	6.2
497.10538	4.4
505.11029	20.1
511.12234	17.7
513.14215	5.1
523.12323	37.3
541.13507	68.1
559.14508	41.3
577.15387	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	577.155
Annotation	Cassiaoccidentalin B
Peak:m/z	Relative Intensity
57.03430	2.2
61.02898	2.0
70.01857	7.1
81.03407	1.9
81.31552	1.8
85.02889	4.1
93.03381	2.1
96.56115	1.7
97.02882	2.1
98.21435	1.7
99.04478	2.1
102.76066	1.7
109.02872	3.5
119.04954	5.5
121.02876	28.8
137.50211	1.9
145.02847	4.4
161.02316	2.2
165.01862	2.2
175.03923	2.7
177.01823	4.7
179.03386	3.3
189.01830	7.9
191.03438	4.1
192.00587	1.9
195.02829	4.5
195.55435	1.7
199.03923	2.7
203.03389	12.1
205.01271	9.2
207.02901	6.9
215.03427	2.5
217.01357	2.9
217.04929	5.1
219.02826	5.5
227.03384	4.3
229.01242	2.5
231.03023	3.4
235.02377	2.7
255.02910	3.0
267.02933	1.7
267.06320	2.3
268.07166	3.5
279.06528	5.7
281.08066	3.8
283.02484	3.1
283.05978	5.9
294.05328	11.3
295.06018	88.3
296.06686	6.6
297.07605	6.3
299.05750	1.8
301.50372	1.8
307.06027	29.9
308.06607	8.5
309.03882	10.7
309.07556	28.3
310.04730	11.6
311.05508	13.3
313.07050	5.6
317.08124	3.3
319.05988	4.3
320.06613	5.4
321.07513	21.7
322.04794	3.9
322.08334	4.9
323.05515	90.8
323.08868	4.7
324.06155	6.7
325.03445	3.7
325.07056	43.0
333.07568	7.9
335.05438	12.1
335.09140	17.8
336.06317	3.3
337.03232	2.2
337.07104	43.7
339.04907	2.3
339.08698	2.0
341.06479	9.6
345.07385	6.6
347.05396	3.1
347.09299	8.4
349.07059	29.4
351.04773	6.5
351.08646	13.3
352.05661	3.2
353.06561	60.9
355.08313	3.0
357.07141	2.6
358.08667	2.0
361.07059	16.7
361.10880	3.2
363.04483	1.6
363.08621	31.5
365.06537	26.6
365.10425	2.9
367.08084	3.1
373.06897	8.9
375.04675	5.7
375.08771	9.0
377.06378	21.1
379.08109	15.2
383.07788	2.0
387.08463	1.8
389.06442	7.4
389.10684	3.2
391.08173	19.5
393.09503	4.7
395.07614	6.9
401.06332	10.5
403.07874	8.8
405.10056	2.1
407.07584	39.7
409.09186	24.1
415.08273	3.3
417.09692	4.0
419.07541	20.6
421.09021	9.0
427.10275	37.2
429.09753	1.9
431.07568	3.3
433.08679	3.0
437.08746	14.7
439.10178	20.1
443.08148	2.3
455.09732	5.0
457.11304	63.0
459.10510	2.7
461.08652	2.7
463.10156	8.2
475.09860	4.5
477.11588	2.5
481.11304	100.0
487.10086	4.1
493.11353	11.5
505.11212	17.1
511.12460	40.5
523.12408	33.9
541.05524	3.5
541.13440	57.3
559.14496	36.2
577.15411	6.6
577.75189	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01879	0.3
57.03418	0.5
61.02918	0.4
69.03082	0.2
69.03436	3.2
69.35151	0.9
69.35577	0.4
70.06580	0.4
71.04971	0.3
73.02893	0.5
81.02998	0.2
81.03428	2.7
84.04507	0.2
85.02912	3.4
86.09699	0.4
88.11282	0.3
89.91108	0.1
91.05475	0.6
97.02906	1.8
97.65867	0.2
99.04467	0.8
103.03954	0.3
109.02895	2.2
119.04938	0.6
121.06467	0.2
127.03922	2.7
130.04947	0.2
134.06027	0.2
135.06735	0.4
137.05994	0.4
145.04945	0.4
151.07547	1.6
163.06305	9.6
164.07091	0.8
176.07072	1.4
177.07721	0.2
178.08649	100.0
179.09023	0.4
185.71472	0.2
187.06026	1.2
188.25792	0.2
190.08624	0.2
220.09663	0.9
250.95322	0.2
307.05914	0.2
312.12415	0.4
321.07773	0.2
325.07086	0.4
326.13983	0.9
328.15457	22.8
335.09317	0.2
337.06964	0.2
349.07065	0.2
379.08118	0.3
382.15015	1.1
409.09131	0.3
421.09393	0.2
426.13895	0.3
490.20865	1.0
532.21844	10.2
576.20776	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	577.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.2
57.08614	2.3
58.18994	2.5
60.02176	2.3
60.69727	2.2
65.87200	2.3
69.82583	11.8
81.03432	2.7
85.02908	5.9
109.02900	4.1
119.04961	9.4
121.02872	39.5
145.02872	6.9
161.02342	3.9
161.99525	2.3
163.03806	2.9
169.88420	2.2
175.03825	2.9
176.01007	3.0
177.01851	6.8
179.03537	3.1
189.01808	15.4
191.03423	9.9
195.02895	6.1
199.03918	3.3
201.01834	3.9
201.05608	4.0
203.03432	16.3
207.02907	10.0
217.04997	7.1
219.02914	8.1
227.03310	3.2
229.05054	4.2
231.02869	3.3
243.02939	3.5
255.02979	4.1
257.04559	4.0
267.06436	5.2
268.07254	6.9
279.06470	6.8
281.08121	6.1
283.06039	18.8
284.06601	3.1
292.07159	2.6
293.07925	8.5
294.05228	23.1
295.06024	100.0
295.09360	6.2
296.06793	8.8
297.07468	17.7
307.06009	84.1
307.09552	5.1
308.06833	22.3
309.04202	6.3
309.07541	34.9
311.05457	15.3
312.06161	3.3
313.06967	8.1
317.08154	4.3
319.06021	10.0
320.06854	10.2
321.07568	40.8
322.04840	2.9
322.08252	12.9
323.05484	17.1
323.09070	7.4
325.03845	3.3
325.07059	96.2
333.07440	9.6
335.05444	10.6
335.09155	33.1
336.06198	6.0
337.07062	88.7
339.08499	4.0
341.06607	5.9
345.07556	6.3
347.05463	4.2
347.09149	15.5
348.06445	3.4
349.07062	26.1
349.10849	4.4
350.07520	6.2
351.04785	4.7
351.08627	24.1
353.06509	9.6
355.08081	7.9
357.07477	5.4
361.06979	19.8
361.10760	3.1
362.07910	3.4
363.08606	23.4
365.06500	44.4
365.10361	9.6
367.08072	5.2
373.07007	10.2
375.08728	14.9
376.39993	3.4
377.06439	16.6
378.07257	4.9
379.08112	33.7
381.09763	3.8
385.07007	5.5
387.08362	3.0
389.06299	4.1
391.08148	46.1
393.09613	8.1
395.07623	10.9
403.07907	19.6
405.09726	5.8
407.07379	6.2
409.09225	83.4
417.09842	3.9
419.07339	12.0
421.09213	31.6
427.10233	43.4
431.07303	4.5
435.10764	3.8
437.08682	6.7
439.10272	46.5
443.08023	3.7
445.09439	3.3
447.10681	4.9
449.08493	6.2
457.11328	71.3
459.10950	4.7
461.08694	5.7
463.10190	25.0
475.10068	4.5
477.11118	3.0
479.09665	6.6
481.11307	86.5
487.10092	5.3
493.11288	30.7
497.10739	2.6
505.11276	29.5
511.12320	48.3
523.05408	4.0
523.12476	47.7
541.13428	75.8
559.14478	44.4
577.15204	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	576.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98245	0.5
69.03412	2.1
71.10218	1.8
76.04946	0.6
81.03419	2.9
85.02906	4.0
86.72411	0.5
87.00838	1.5
91.05463	1.3
97.02898	1.6
99.04454	0.9
105.01854	0.9
109.02864	1.7
110.08739	0.7
123.08057	1.8
127.03910	2.8
133.10617	0.6
141.27388	0.6
145.04947	0.7
159.02925	0.9
165.06967	2.2
167.08432	0.6
174.05537	1.0
191.07335	1.4
192.08093	11.9
192.09746	0.4
193.06638	0.9
193.08801	0.6
194.06012	4.6
194.09671	1.7
195.08017	0.8
196.07680	0.7
205.60561	0.6
216.75290	0.5
220.07588	30.9
221.08354	1.7
222.09117	2.8
223.07715	0.9
224.10585	0.6
232.07631	0.8
248.07098	7.8
249.07979	4.2
250.08647	61.0
251.05875	0.6
252.06647	3.5
264.06497	0.8
265.06946	0.8
266.08057	0.7
267.08960	1.1
277.07382	3.6
278.08136	100.0
279.08868	2.7
280.09619	0.9
282.11252	3.1
283.45731	0.7
295.08383	1.6
310.10742	48.5
328.11807	84.2
329.12103	0.8
397.51001	0.9
526.13708	0.8
576.17914	0.8
601.87140	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46313	0.4
52.68449	0.4
55.05517	0.6
58.41961	0.4
59.04991	0.5
61.02938	0.5
67.05508	0.5
69.03432	0.7
69.07063	0.8
70.06587	0.6
71.04992	0.6
73.02919	0.9
81.03433	0.6
81.07047	1.1
84.08127	0.4
85.02914	1.5
86.09697	0.8
87.04441	0.4
89.06025	0.8
89.46730	0.4
91.05492	1.7
93.06992	0.5
95.04994	0.5
95.08611	0.6
97.02919	0.5
98.97607	0.6
105.07034	0.7
107.04984	0.6
107.08601	0.8
109.02883	0.8
121.06477	0.7
123.04395	0.5
123.08073	1.1
127.03893	1.1
133.08551	0.6
133.10136	0.4
137.05988	1.1
147.04390	0.5
147.08058	0.4
149.13292	0.6
165.06987	4.7
167.07051	1.5
167.08499	0.5
168.07991	0.5
172.03911	0.5
174.05505	1.1
177.05560	0.5
179.27676	0.4
180.07983	0.8
191.07207	4.0
191.14613	0.4
192.08090	15.9
193.06503	0.8
193.08795	1.2
194.06018	6.0
194.09659	2.5
196.07657	0.7
202.04872	0.5
202.06567	0.9
204.08086	1.3
207.06493	0.5
219.01395	0.4
219.06735	0.9
220.07582	29.6
221.08318	1.6
222.05568	1.3
222.09064	3.2
223.07492	0.9
224.06868	0.9
233.09651	0.5
235.06213	0.7
236.07164	0.5
248.07072	7.7
249.07878	5.1
250.08643	58.5
251.05725	0.6
251.09154	0.5
252.06488	3.4
252.10201	0.6
260.07211	0.4
261.08054	0.4
263.05621	0.5
264.06595	0.6
266.08102	1.0
267.08975	1.0
276.06580	0.5
277.07281	4.4
278.08121	100.0
279.08899	2.1
280.06046	0.9
282.11276	2.1
289.08322	0.5
295.08401	1.3
296.09274	0.9
310.10739	40.6
311.11087	0.7
322.11447	1.3
328.11844	4.2
354.14267	0.5
409.08859	0.5
422.16061	0.5
576.23590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01873	9.7
55.05518	19.7
56.96563	2.8
57.03436	6.4
57.07061	6.9
58.26787	1.7
59.05027	2.0
61.02921	6.6
61.71988	1.7
67.05176	2.6
67.05507	36.4
68.99779	2.4
69.03085	2.7
69.03435	40.8
69.07076	30.4
69.22635	2.7
69.23038	15.4
70.06574	3.0
71.04984	6.9
71.08602	2.4
73.02899	5.8
79.05120	2.1
79.05499	22.7
79.26941	1.6
81.02991	2.5
81.03424	34.6
81.07064	100.0
81.20198	1.8
83.01360	2.0
83.04971	7.5
83.08621	15.7
84.08131	2.3
85.02910	90.0
85.06553	32.4
86.09709	3.4
87.00837	36.0
87.04444	3.4
89.06026	3.0
91.03959	3.3
91.05478	13.7
91.49759	1.6
93.06477	2.3
93.07050	35.4
95.04961	5.9
95.08614	89.0
97.02302	2.1
97.02898	32.6
97.06528	4.5
97.10155	11.3
99.04453	13.9
99.07478	2.3
99.08101	26.7
101.02382	1.8
105.01874	41.8
105.07044	18.4
106.25311	1.6
107.04988	1.9
107.08604	34.7
109.02882	31.0
109.06510	5.0
109.09461	3.2
109.10167	58.8
109.10916	3.3
111.04445	3.5
111.08073	7.6
111.11726	5.1
111.34512	1.8
113.09656	7.0
115.03954	2.1
117.01856	2.7
117.07021	3.4
119.04900	2.3
119.08582	15.8
121.02856	4.5
121.06460	2.9
121.09321	2.8
121.10148	33.4
121.57478	1.7
123.04400	3.2
123.08064	2.4
123.11716	34.9
125.05974	3.5
125.09603	5.0
127.03924	60.0
127.11213	4.0
129.01872	2.8
129.06964	1.6
131.08571	4.7
132.62749	1.6
133.08653	3.1
133.10143	14.2
135.08125	1.9
135.11702	22.9
137.05980	7.8
137.13275	11.8
139.11172	4.9
145.04967	21.6
145.06535	1.7
145.07559	2.5
145.10101	8.1
147.02841	2.2
147.04395	5.4
147.11682	10.0
149.13275	44.6
149.14490	2.1
151.07597	2.2
151.14864	4.5
153.09081	2.4
153.12750	2.6
153.51099	1.7
157.10095	2.1
159.02928	13.5
159.11710	6.2
161.13268	7.4
163.11130	3.4
163.14812	27.3
164.06982	2.0
165.09085	2.8
167.14299	2.7
169.10156	2.2
171.08040	1.9
173.09599	3.5
175.03905	5.9
175.07697	2.1
175.14859	4.6
177.05392	2.1
177.16402	15.1
179.17955	2.9
181.15891	2.6
183.11705	2.7
187.11244	2.9
187.14799	2.5
189.03937	2.9
189.09219	2.7
189.16412	2.9
191.17960	11.2
194.51341	1.7
195.17574	2.1
197.18901	3.0
203.17973	7.1
205.12257	3.4
205.19498	2.2
207.06485	2.5
209.18970	2.5
210.14793	2.1
211.20563	2.6
213.03954	2.5
215.10533	2.4
217.19641	8.7
221.18910	2.0
231.05011	12.7
235.20613	4.2
247.24104	3.8
265.25333	4.9
273.25842	16.7
279.26782	2.7
289.25150	3.2
291.26840	48.7
295.05984	2.7
297.27905	2.8
309.03830	3.3
309.27936	29.4
313.07388	2.4
327.08633	5.5
327.28894	11.5
333.27863	1.9
341.52026	2.0
349.07471	2.3
379.07471	2.2
381.27960	4.1
399.29126	4.0
479.09079	3.8
503.30264	3.6
539.11469	2.2
557.11859	5.6
575.28253	8.3
575.43231	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	575.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
57.07070	0.6
60.72060	0.2
67.05514	0.4
68.98615	0.2
69.07066	0.2
69.45041	1.0
69.91713	0.2
71.08638	0.3
79.05507	0.2
81.07073	0.2
85.10192	0.4
87.04477	0.5
87.76968	0.2
89.06039	0.3
93.07069	0.2
95.08635	0.3
98.08644	0.2
98.20696	0.3
215.78796	0.2
227.09444	0.2
270.28195	0.2
296.20923	0.2
411.15448	0.2
458.30270	0.2
565.55457	0.2
575.41315	100.0
576.41766	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
54.33456	0.8
54.95627	0.9
55.01879	6.9
55.05270	1.3
55.05516	16.6
56.96553	0.9
57.03451	4.3
57.07080	8.8
59.04994	2.4
61.02917	3.5
65.03934	1.3
67.05177	1.8
67.05510	26.5
68.99790	3.2
69.03087	1.3
69.03436	21.9
69.07072	35.5
69.42599	1.1
69.42997	5.9
70.06586	1.8
71.05007	6.2
71.08635	2.4
72.08163	1.3
73.02934	4.5
73.08475	1.0
74.54770	0.8
77.03944	0.8
79.05499	17.1
81.02973	1.6
81.03422	20.8
81.07062	100.0
83.04974	3.0
83.08625	15.2
84.04469	1.2
84.08141	3.1
84.18597	0.9
85.02911	52.0
85.06548	39.6
85.07678	1.2
85.10232	0.8
86.09698	2.3
87.00835	20.7
87.04462	1.9
89.06039	1.4
90.60069	0.8
91.03947	0.9
91.05470	9.2
93.06474	1.7
93.07049	35.6
95.04956	3.9
95.08614	84.6
97.02897	16.4
97.06536	5.1
97.10184	9.4
97.16349	0.9
98.97581	1.8
99.04459	6.4
99.08099	33.1
99.08751	1.9
101.06046	2.1
103.03949	1.5
105.01871	14.6
105.07032	12.1
107.04913	1.2
107.08601	34.9
107.38034	0.8
109.02889	16.8
109.06532	2.0
109.10162	48.6
109.58531	0.8
111.04469	1.0
111.08089	12.9
111.11732	7.9
113.09647	5.2
115.03920	1.2
117.01821	1.8
117.06989	1.6
119.04943	1.1
119.08604	10.3
120.08039	1.0
121.02892	0.8
121.06491	2.1
121.10152	33.6
121.11035	1.8
123.04432	1.7
123.11720	24.6
125.06028	1.1
125.09616	3.6
125.13274	2.0
127.03922	28.8
127.11193	4.1
128.06160	1.0
129.01843	1.9
129.12753	1.3
131.04877	1.0
131.08548	3.2
133.10138	8.3
135.08064	1.0
135.11702	19.5
137.05975	4.7
137.09627	1.2
137.13260	18.8
139.11209	5.7
139.39815	0.9
141.12755	1.5
143.08556	1.7
145.02853	1.2
145.04984	9.8
145.10068	2.8
147.02901	1.0
147.04413	2.8
147.08116	1.0
147.11711	7.7
149.05983	1.5
149.13266	28.7
151.07556	1.9
151.11206	1.0
151.14804	3.9
153.12706	4.6
155.14334	1.1
157.10127	1.8
157.12144	1.0
159.02887	7.0
159.11717	3.2
161.05919	1.2
161.13229	5.9
163.11198	1.5
163.14828	14.0
165.09122	1.5
165.12781	1.2
165.16338	2.0
167.07011	1.1
167.14323	3.5
171.02773	0.9
173.09618	1.2
173.13248	1.5
175.03926	3.9
175.14822	3.7
177.09091	1.1
177.16393	28.2
179.17867	1.7
181.15846	1.6
183.17360	1.0
185.13234	1.6
187.11275	1.2
187.14793	1.3
189.03932	1.7
189.09097	1.4
189.16412	2.9
191.10655	1.7
191.17990	4.7
193.19635	1.3
195.17448	27.3
203.17947	2.8
205.19543	2.9
209.13310	1.3
209.19029	3.9
213.04060	1.8
213.18503	65.2
215.10657	1.3
217.19521	3.9
221.19009	1.1
223.20702	1.2
227.20073	1.2
231.05032	6.2
231.20801	1.1
235.20551	4.0
247.24158	1.6
253.21700	2.0
261.25781	3.1
265.25317	1.5
273.25803	6.7
279.26877	5.0
287.05240	1.0
289.25043	0.9
291.26846	25.9
295.06039	1.3
297.27881	7.9
309.27908	38.0
310.10739	1.4
323.61542	0.9
327.08652	5.2
327.28934	37.9
381.27606	1.5
399.28931	2.5
413.30237	1.2
417.29865	2.2
503.29834	1.2
521.30933	2.8
557.34045	1.0
575.27655	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.8
55.01874	9.6
55.05513	38.2
55.76548	1.3
56.96553	1.9
57.03433	6.2
57.07079	18.9
59.05011	2.1
61.02931	6.7
65.03931	1.7
67.05510	21.1
68.99793	4.7
69.03433	46.6
69.07072	97.9
70.06573	1.7
70.07408	1.8
70.67815	2.6
71.01352	1.3
71.04994	7.6
71.08641	8.5
71.17252	1.0
72.08160	1.7
73.02924	5.9
79.05502	18.6
81.03425	42.3
81.07061	90.0
83.04987	2.9
83.08627	38.5
85.02909	88.1
85.06541	18.7
85.10188	5.9
87.00835	32.0
87.04447	1.4
89.06022	2.8
89.27663	1.2
91.03954	2.3
91.05484	12.2
93.07053	25.8
95.04443	1.3
95.04962	5.5
95.08613	56.8
97.02899	27.1
97.06547	14.3
97.10174	32.8
97.10778	2.4
99.04464	14.0
99.08102	6.4
101.02394	1.3
103.05438	1.4
105.01876	18.4
105.07034	12.7
107.04950	1.6
107.08598	28.0
109.02891	31.6
109.06527	3.9
109.10164	34.4
111.04475	1.1
111.08087	11.7
111.11729	20.5
113.09666	2.3
115.03912	1.2
116.98660	1.1
117.01852	3.3
117.07075	1.7
119.04965	4.2
119.08566	9.5
121.06545	1.9
121.10148	21.4
123.08022	1.8
123.11723	16.9
125.09639	5.6
125.13280	3.9
127.03929	53.5
129.01849	5.0
129.12769	2.5
131.08592	2.2
133.06499	1.5
133.08643	1.5
133.10187	6.2
135.08095	1.4
135.11708	17.0
137.05980	5.3
137.09628	3.5
137.13264	8.9
139.11185	10.9
145.04976	15.0
145.10135	1.7
147.02902	3.7
147.04416	1.6
147.11693	4.8
149.13292	15.7
151.07584	1.2
151.11176	2.4
151.14865	4.9
153.12798	3.6
157.06531	1.1
158.72549	1.1
159.02899	17.1
159.08163	1.3
159.11737	1.7
161.13269	3.7
163.07513	1.6
163.14836	8.2
165.12820	1.2
165.16437	3.1
167.07080	1.6
167.14384	1.3
173.09685	1.4
175.03914	2.5
175.07449	2.3
175.14880	3.1
177.05469	1.4
177.16411	3.1
178.08649	1.5
179.18001	1.8
189.04044	2.1
189.12837	1.7
191.17941	26.4
199.20592	2.1
203.17920	1.9
205.19557	3.9
207.06503	8.3
209.19017	48.5
213.03938	2.2
217.19490	2.1
219.01614	1.3
227.20084	15.7
231.04988	8.4
247.24271	1.5
259.87366	1.3
261.25729	1.2
265.25262	13.4
273.25812	4.3
279.26852	11.8
283.26324	18.8
283.29272	1.3
291.26813	14.9
297.27893	78.8
309.27890	99.1
327.28952	100.0
333.28046	2.0
351.29095	2.3
358.92010	1.4
396.30457	2.1
399.28781	1.6
417.30243	1.2
575.27460	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	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27696	2.1
50.91420	2.8
53.03948	7.9
55.01874	6.3
55.05520	22.6
56.96576	2.5
57.03437	5.6
57.07076	18.4
60.37399	2.4
64.87915	2.1
67.05509	40.9
68.99810	3.4
69.03439	28.5
69.07079	40.9
71.04992	5.1
71.08638	11.8
71.15262	2.4
71.56558	3.1
71.56913	3.3
73.02937	4.0
79.05501	31.3
81.03425	23.7
81.07066	100.0
83.05006	3.8
83.08630	25.0
85.02422	5.0
85.02912	62.3
85.06552	6.7
85.10191	7.1
86.99126	2.2
87.00843	20.7
87.04513	2.3
87.44109	2.5
91.05490	21.0
93.07053	56.8
95.04960	6.1
95.08613	98.7
96.52419	2.4
97.02910	22.5
97.10149	18.0
99.04457	10.6
99.08111	8.0
105.01871	19.8
105.07040	32.5
107.04950	3.3
107.08607	39.9
109.02859	25.7
109.06530	2.5
109.10166	64.1
111.08069	3.5
111.10985	2.3
111.11716	13.1
119.08585	25.3
121.06504	2.8
121.10173	33.8
123.04401	2.6
123.08090	4.4
123.11715	25.8
125.13300	4.9
127.03938	36.1
127.04819	4.0
131.08617	2.9
133.10123	25.0
135.11710	29.9
137.09642	7.5
137.13298	10.8
138.63872	2.8
139.11188	3.0
145.04979	9.4
145.10153	5.4
147.11711	22.1
149.09624	2.6
149.13280	37.8
151.11183	4.1
151.14827	5.3
155.10669	5.0
159.02911	8.1
159.11702	5.3
161.13249	15.1
163.14793	18.7
165.12810	8.0
165.16457	4.8
171.21887	2.2
175.14871	8.4
177.16417	10.8
179.18056	4.7
189.16414	6.4
191.17973	7.8
203.18045	7.7
217.19611	6.6
231.05038	6.4
247.24336	3.4
261.25735	6.1
267.26828	4.1
273.25806	44.8
279.24045	3.4
279.26794	21.9
284.30594	2.2
291.26877	63.3
297.27921	5.0
309.27890	73.0
327.29041	17.2
341.77060	2.6
381.28073	3.0
399.28989	3.3
521.31384	2.8
571.37476	2.6
575.27026	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	575.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01877	4.8
55.05512	18.4
56.63084	2.3
57.03430	5.0
57.07087	12.7
61.02926	2.9
67.05511	34.3
69.03433	28.3
69.07077	45.1
69.26662	5.0
69.27071	17.8
71.04990	5.0
71.08627	7.5
73.02921	3.9
79.05506	20.7
81.03426	14.9
81.06581	4.8
81.07062	100.0
83.08627	24.6
85.02911	53.4
85.03361	1.5
85.06554	6.1
85.10191	3.2
87.00829	22.4
91.05474	18.1
93.07048	43.2
95.05009	5.4
95.08615	81.2
97.02901	22.1
97.06552	3.1
97.10175	17.9
98.20773	4.8
99.04455	8.4
105.01863	13.1
105.07044	24.0
107.08607	40.3
109.02890	24.7
109.06532	3.8
109.10162	50.1
111.11732	11.8
117.06980	3.1
119.08572	26.1
121.06483	3.0
121.10146	35.1
123.08076	2.9
123.11711	25.8
125.13291	3.1
127.03923	35.2
131.08580	3.4
133.10121	22.8
135.11682	28.4
137.06004	3.9
137.09622	8.3
137.13246	14.5
143.04991	2.7
145.04993	13.0
147.11726	17.3
149.13257	31.2
151.14813	4.8
155.10637	5.4
155.76041	2.5
159.02888	7.2
159.11681	4.5
161.13281	11.7
163.14818	17.6
165.12773	8.8
165.16399	6.3
175.14859	8.0
177.16409	8.0
179.17929	2.8
189.16394	4.5
191.18106	2.6
193.08611	2.9
203.18034	6.4
217.19507	4.1
231.04921	6.9
239.97116	2.7
245.78313	2.9
261.25720	6.9
267.26840	3.4
273.25784	42.6
279.26913	17.1
283.49762	2.7
291.26804	49.7
297.27933	3.9
309.27878	48.9
318.82687	2.8
327.29004	15.2
350.13107	2.8
369.27405	2.8
417.30005	2.7
503.29846	3.0
575.27911	9.8
593.54980	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	575.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.3
69.37935	3.2
69.38341	1.6
70.06582	1.8
75.44569	0.6
84.08167	1.1
85.02895	1.2
86.09714	1.2
96.96048	0.7
98.02417	0.8
98.21155	3.1
107.04949	0.9
121.01126	0.8
122.07045	0.6
127.52762	0.6
129.10265	0.7
131.04898	0.8
137.02303	1.5
146.05969	1.8
147.04514	0.6
149.00589	4.1
150.03676	1.5
159.06778	3.2
162.03745	10.4
164.01674	1.0
164.05394	0.7
178.03230	37.9
178.08618	0.9
182.30305	0.6
189.01863	0.8
190.03230	17.6
192.04782	11.6
199.84222	0.6
201.06517	0.9
203.03465	1.2
204.04805	0.9
205.95055	0.6
206.02725	19.4
207.05878	8.1
208.04298	21.3
209.07486	1.0
218.02715	3.1
221.10747	0.8
235.05348	4.4
236.03763	12.2
236.06096	0.8
236.88229	0.6
247.05400	7.4
252.08133	0.9
255.64281	0.7
261.06870	1.5
264.08008	6.8
289.06473	4.8
299.05417	0.8
306.09021	2.7
307.07455	22.9
311.05536	4.5
323.05508	1.9
324.10138	100.0
335.05664	0.7
337.07184	1.8
349.07263	1.1
351.08823	0.9
365.06506	3.1
377.06299	0.8
395.07516	1.1
407.07578	1.4
419.07693	1.5
425.08670	1.2
438.04251	0.7
443.09961	3.0
497.10699	1.3
509.10992	0.9
527.11981	2.9
539.11591	2.3
557.12744	3.2
575.12823	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	574.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.05518	11.8
57.03439	4.4
57.07076	33.2
67.05508	43.6
69.03450	1.5
69.07072	11.0
71.05001	16.6
71.08630	25.1
71.55321	1.2
71.55698	1.5
79.05514	8.5
81.07060	70.8
83.04999	1.8
83.08621	12.3
85.06548	7.7
85.10191	12.5
87.04468	12.2
89.06090	1.5
91.05479	15.6
93.07062	12.5
95.08048	2.2
95.08610	24.6
95.09177	2.4
97.06548	4.4
97.10188	6.2
99.11748	1.2
105.07043	6.0
107.08603	7.3
109.10171	12.9
112.71505	1.3
117.07011	1.9
121.10162	3.1
123.11720	15.6
131.08578	2.6
133.10127	9.9
149.13263	2.4
151.11194	7.8
158.16664	1.3
159.11729	3.5
183.13864	3.6
187.13289	5.0
222.97481	1.3
239.23833	2.4
257.17514	2.0
269.17505	3.8
281.90710	1.3
283.26239	2.4
301.20078	20.8
313.27383	30.1
481.38928	100.0
482.39493	1.8
495.40363	3.9
507.40442	3.0
539.43060	54.6
564.33374	1.5
574.39886	2.1
574.48853	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	574.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.1
53.15475	0.1
53.71501	0.1
54.45134	0.1
70.06582	0.2
70.58609	0.4
71.13449	0.1
72.08139	0.2
89.90451	0.1
95.04962	0.6
96.57481	0.1
114.32776	0.1
120.08107	0.1
123.04430	1.6
128.04971	8.1
137.05980	0.2
138.06726	0.3
146.05959	0.2
147.27196	0.1
156.04451	17.3
157.04794	0.1
173.04771	0.1
174.05466	0.5
188.07079	33.7
189.07857	2.8
190.05063	0.1
216.73424	0.2
229.09724	0.3
249.28740	0.1
250.08755	0.1
251.09660	0.1
252.10254	0.5
264.10190	0.3
265.11108	0.3
267.08929	0.2
268.09680	0.3
278.08066	0.1
279.08759	0.1
280.09735	0.6
281.10339	0.3
282.11285	2.8
292.09637	0.3
293.10394	0.3
294.11282	0.5
296.09216	1.1
297.09885	0.2
308.09210	0.2
310.10751	22.8
311.11526	1.5
325.13245	0.2
326.13876	100.0
327.14261	0.5
506.39981	0.1
512.71936	0.1
530.20258	7.6
574.19226	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	573.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.5
55.01867	7.4
55.05514	24.7
56.96559	2.2
57.03437	8.7
57.07084	12.0
59.05005	2.8
61.02923	7.0
67.05508	20.8
68.99786	3.6
69.03431	37.1
69.07069	59.4
70.06562	1.8
71.01359	2.2
71.04987	8.0
71.08630	6.6
71.56779	2.4
71.57142	2.4
73.02924	5.2
79.05486	22.1
81.03416	35.9
81.03855	2.9
81.07059	100.0
83.01339	2.1
83.04989	12.4
83.08624	27.7
85.02908	76.2
85.06562	10.1
85.10191	2.1
87.00825	28.0
91.03941	3.3
91.05473	15.2
92.60255	1.7
93.07047	32.6
95.04977	8.3
95.08612	64.4
97.02908	23.0
97.06546	12.4
97.10184	14.8
98.97577	4.1
99.04464	15.9
99.08107	4.2
103.05459	3.0
105.01870	15.3
105.07041	27.1
107.04962	3.6
107.08592	32.6
109.02876	28.4
109.06542	10.4
109.10162	38.9
109.39650	1.5
111.08092	2.7
111.11745	8.4
112.69161	1.6
115.05471	2.3
117.01873	2.2
117.07032	4.1
119.08596	18.4
121.06501	5.0
121.10143	23.5
123.08076	7.3
123.11704	19.1
125.06017	2.5
125.09634	5.7
125.13246	2.7
127.03921	52.9
127.07556	5.4
127.11192	3.2
129.01863	2.0
129.07057	1.9
131.08580	10.2
133.10133	10.9
135.08067	4.8
135.11671	26.6
137.05966	4.8
137.09645	8.2
137.13284	10.0
139.11174	5.2
143.08549	5.5
145.04964	14.6
145.10115	16.0
147.08076	2.1
147.11717	16.5
149.09663	3.0
149.13249	16.8
151.11227	2.3
151.14838	4.4
153.12808	3.3
155.10680	2.4
157.10133	2.7
159.02882	9.3
159.11725	15.7
161.13263	15.1
163.11189	5.2
163.14833	7.2
165.12717	4.8
165.16434	2.4
166.15259	1.6
171.11584	2.2
173.13283	5.2
175.11247	2.4
175.14888	5.2
177.12770	3.7
177.16435	3.4
179.14291	2.3
179.17973	3.2
187.14743	3.4
189.16383	4.4
189.24300	1.7
191.17990	12.0
199.07570	1.9
201.16397	3.1
203.17960	2.1
205.19475	2.6
209.19029	7.7
213.03827	3.1
215.18008	3.1
231.05026	14.7
233.19006	2.3
237.02716	1.8
243.21130	2.3
245.22578	2.9
247.24518	2.6
261.25894	3.0
271.24173	16.3
277.25378	4.8
282.05124	2.5
283.05975	5.5
289.25266	35.9
295.05981	3.6
295.26404	3.6
301.07004	4.8
307.26367	57.2
308.25092	7.0
325.07169	2.2
325.27353	17.3
423.07117	4.3
431.19208	2.0
453.07898	2.9
477.07996	2.9
519.29285	4.1
537.30621	3.0
555.10614	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	573.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02893	2.5
53.03947	11.4
55.01871	9.0
55.05516	23.0
57.03435	7.0
57.07065	10.6
58.06592	3.5
59.04982	3.4
61.02919	8.8
63.62809	2.7
65.03929	3.6
67.05507	39.0
68.99783	3.9
69.03437	49.5
69.06736	3.7
69.07077	54.2
70.06600	4.6
70.07411	2.8
70.90443	5.4
71.04985	10.1
72.08128	2.9
73.02920	8.8
78.14278	2.7
79.05066	3.0
79.05492	36.5
80.98769	3.6
81.03426	47.4
81.07059	94.8
83.04956	10.8
83.08615	23.7
85.02908	100.0
85.06538	14.9
86.09678	3.2
87.00819	35.1
87.04478	4.2
91.05476	46.0
93.07056	47.7
95.04980	6.4
95.08616	78.0
97.02380	3.1
97.02911	35.7
97.06528	7.0
97.10175	16.6
98.97572	4.3
99.04460	17.2
99.08092	9.6
101.02384	2.6
105.01881	27.7
105.07022	39.7
107.08609	43.9
109.02888	46.7
109.06522	5.6
109.10158	46.1
111.08081	6.8
111.11745	6.7
117.01847	3.0
117.07010	12.2
119.08585	35.3
120.08112	3.2
121.02908	5.7
121.06512	6.6
121.10143	50.2
123.04429	11.7
123.08038	4.9
123.11715	26.5
124.92635	3.4
125.06036	3.7
125.09599	4.0
125.13300	3.2
127.03920	68.5
127.11214	3.6
129.01863	4.4
129.07011	5.2
131.04941	4.0
131.08575	33.5
133.10141	27.4
135.08026	6.7
135.11708	39.9
136.12067	3.0
137.05974	11.7
137.09595	3.8
137.13246	12.2
143.08482	3.5
145.04959	21.1
145.10147	23.1
147.04420	10.1
147.08038	5.8
147.11685	40.8
148.04738	4.8
148.08435	3.3
149.05992	3.0
149.09613	6.6
149.13277	23.3
151.14862	3.6
153.12752	5.3
157.10068	2.8
158.99686	2.8
159.02887	11.2
159.11740	14.7
161.06009	3.0
161.13243	29.1
163.03876	2.8
163.11191	7.2
163.14806	9.0
167.14217	3.9
173.13301	13.0
175.14798	11.7
177.05466	5.6
177.12726	5.2
177.16353	6.2
178.08496	3.1
181.12204	3.1
187.14856	7.0
189.09154	8.7
189.16418	12.7
190.09392	3.7
191.17921	6.6
201.16393	10.8
209.18726	2.9
210.37209	2.8
213.03951	6.6
215.07047	2.9
215.17955	9.5
217.19540	6.1
231.05026	9.3
243.21297	3.3
253.04919	3.3
261.25906	3.8
269.07907	3.8
271.06030	3.5
271.24225	38.0
277.25247	4.5
289.25302	73.8
290.24155	4.7
291.27274	3.3
295.05853	5.1
307.05930	3.4
307.26352	63.1
323.12750	8.0
324.13052	8.1
325.13470	11.6
325.27393	53.3
423.07037	9.8
453.08182	4.3
477.08154	7.0
537.09937	3.7
573.29865	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	573.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01874	2.3
55.05497	1.2
56.96547	0.4
57.03446	1.0
61.02919	1.2
65.03924	0.5
67.05497	1.9
68.99796	2.4
69.03436	5.2
69.07056	1.3
69.49007	2.9
70.06595	0.6
71.01350	0.4
71.04996	0.9
72.08162	7.0
73.02911	1.4
76.36485	0.5
77.03947	0.4
79.05485	1.9
81.03414	5.2
81.07063	2.5
83.01360	0.6
83.04985	0.5
85.02908	8.8
86.09707	5.2
87.00838	4.0
91.05466	2.0
93.07064	1.1
95.04976	1.6
95.08602	1.6
97.02908	3.7
98.20689	0.7
99.03883	0.4
99.04452	1.8
99.08101	0.4
103.05476	0.8
105.01855	1.9
105.04533	0.5
105.07031	0.8
107.04964	1.6
107.08597	0.9
109.02197	0.7
109.02882	5.7
109.10165	1.1
117.01831	0.5
119.04924	0.7
119.08594	0.8
120.23540	0.4
121.02879	1.3
121.06519	0.7
121.10176	0.9
123.04438	36.8
123.11748	0.5
127.03934	6.6
127.04823	0.8
129.01805	0.5
129.07031	0.5
131.04929	1.5
131.08566	0.6
131.33803	0.4
133.06490	0.4
133.10153	0.7
135.04436	9.6
135.11662	0.8
137.02264	0.4
137.06017	1.8
143.08604	1.0
145.04958	2.3
145.06413	0.6
145.10077	0.6
147.03139	0.7
147.04417	9.3
147.11697	0.8
148.05142	0.8
149.05949	1.0
149.13203	0.6
151.03941	0.5
151.07610	0.4
157.06528	0.5
159.02922	3.0
159.04428	4.7
159.11763	0.5
160.05215	0.9
161.06027	2.7
161.13275	0.4
163.03963	0.6
164.07011	0.5
165.05515	1.1
165.06969	0.4
167.07167	0.4
167.08568	1.3
169.06477	0.6
169.10155	0.4
171.03015	0.4
171.08093	2.6
173.05968	1.2
175.03867	0.9
177.05458	1.1
181.06514	0.7
183.03209	0.4
185.05986	0.8
185.09695	0.7
187.07550	1.2
189.05440	1.3
191.10686	5.1
195.08049	3.5
197.05888	0.6
198.06749	1.7
199.07617	3.1
201.05510	0.5
201.09088	1.2
201.12445	0.6
211.07635	0.8
213.05656	0.8
213.09103	3.2
213.16119	0.4
215.07068	5.3
215.10620	3.1
223.07582	4.2
224.08321	0.5
226.06239	5.1
227.07051	2.9
229.11836	1.2
230.12146	0.6
231.04874	0.9
231.06847	0.6
240.07918	0.8
241.08611	6.8
245.18652	0.5
246.18933	0.5
251.07011	5.4
252.07890	0.5
254.05821	1.3
255.06487	1.1
265.08731	0.5
267.06567	1.5
269.08102	100.0
270.08337	0.4
281.08133	1.2
283.06104	0.7
283.09558	0.5
289.25232	0.7
293.08109	4.0
295.06021	1.2
297.07584	0.6
307.05887	1.1
307.09512	0.8
307.26321	1.2
309.07568	0.5
311.09177	4.7
311.12604	0.7
323.09232	0.7
323.12805	1.4
325.06824	1.1
325.14359	26.4
325.27420	0.9
328.18622	1.7
329.19052	0.8
335.09290	2.6
337.07016	0.6
337.14236	0.8
349.14359	1.1
359.08936	0.9
361.06860	0.5
367.15350	1.9
371.09662	0.4
377.10110	1.7
391.15479	0.8
405.05408	0.4
415.15396	0.7
423.07211	2.6
435.07181	0.8
453.08258	1.7
477.08066	1.8
481.11346	1.4
489.08212	0.5
499.12311	0.6
501.08096	0.8
507.09329	0.9
519.09082	0.8
537.09998	1.2
537.17621	0.9
555.10980	1.9
573.12384	1.4
573.25568	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27283	0.4
55.01878	1.9
57.03439	0.4
65.03930	0.6
67.05508	2.9
68.99792	1.7
69.03435	2.6
69.07066	1.3
69.10556	0.4
69.22291	3.5
71.04997	0.4
73.02917	0.9
73.56696	0.3
78.55688	0.3
79.05492	1.5
81.03410	2.3
81.07060	0.8
84.04504	0.5
85.02908	5.2
86.09702	0.9
87.00854	2.1
91.05501	0.9
93.07025	0.5
95.04984	3.3
95.08598	0.7
97.02886	1.6
98.20704	0.7
98.24279	0.4
99.04470	0.8
103.05441	0.6
105.01894	0.8
105.07043	0.8
107.04969	1.6
109.02883	3.4
117.07067	0.4
119.04923	0.6
123.04437	100.0
127.03939	3.6
131.04938	1.1
133.06508	0.5
135.04424	35.0
137.05992	0.6
143.08510	0.5
145.04987	1.1
147.04420	10.3
148.05269	0.5
149.06027	0.5
157.06502	0.6
159.02962	1.2
159.04431	3.6
161.05991	1.5
163.03957	1.0
165.05452	0.7
166.23837	0.4
167.08502	0.8
171.08069	1.8
173.06027	0.9
177.05495	1.0
181.06575	0.5
185.06017	0.7
187.07549	0.8
189.05511	0.9
191.10683	38.1
195.08067	2.1
197.06071	0.6
198.06807	1.1
199.07555	2.1
213.05510	0.9
213.09123	1.9
215.07098	4.0
215.10660	6.0
223.07515	2.1
224.08379	0.5
226.06203	2.1
227.07088	1.7
231.06589	0.6
232.20258	0.4
241.08630	4.5
242.05869	0.4
243.06430	0.4
250.54541	0.4
251.07019	3.0
254.05826	0.7
267.06522	0.7
269.08102	60.6
282.59900	0.4
289.08316	0.4
292.15167	0.4
292.88608	0.4
293.08035	2.0
295.06226	0.4
311.09149	1.5
325.14359	47.0
335.09366	2.1
337.14227	0.4
349.14377	0.8
359.09052	0.9
367.15350	1.4
371.09775	1.0
377.10223	1.7
391.15402	0.9
415.14813	0.5
423.07285	1.3
433.16092	0.6
481.11191	1.0
537.10144	0.5
537.17737	0.8
573.20471	0.7
573.28918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01881	2.0
56.96525	0.3
57.03441	0.5
61.02930	0.7
67.05507	0.8
68.99792	1.8
69.03439	3.8
69.07074	1.0
70.06360	1.3
71.01338	0.3
73.02921	0.9
79.05489	0.9
81.03419	4.1
81.05040	0.3
81.07062	0.5
83.01334	0.6
85.02424	0.5
85.02908	7.6
87.00835	3.8
91.03985	0.3
91.05486	1.3
93.07039	0.9
95.04984	1.2
95.08601	0.6
97.02897	2.7
99.04456	1.8
103.05486	0.9
105.01885	2.3
105.03414	0.5
105.07039	0.6
107.04950	1.2
107.08567	0.4
109.02891	5.9
109.06509	0.3
109.10197	0.4
111.04418	0.4
115.05478	0.3
117.01882	0.8
119.04955	0.5
119.08564	0.3
121.02901	0.5
121.10149	0.4
123.04441	39.3
127.03937	6.0
129.01868	0.7
131.04971	1.6
133.06471	0.4
135.04425	11.0
137.02347	0.4
137.06061	0.3
143.08565	0.6
145.04971	2.2
145.06468	0.4
145.10182	0.5
147.03151	0.4
147.04416	9.8
148.05234	0.4
149.05981	0.3
152.06210	0.5
153.06905	0.5
155.08569	0.6
157.06540	0.3
157.10120	0.5
159.02924	2.7
159.04427	4.6
160.05202	0.9
161.06033	3.3
163.03951	0.8
165.05486	1.3
165.06857	0.5
167.08556	1.6
171.04427	1.1
171.08035	3.1
172.05212	0.3
173.05971	1.4
173.09660	0.5
175.03951	0.5
175.07553	0.4
177.05519	0.9
181.04979	0.3
181.06445	0.9
183.08060	0.4
185.05998	1.1
185.09575	0.6
187.07565	1.2
189.04027	0.4
189.05492	1.5
191.10678	5.0
195.08086	3.9
197.05997	0.6
198.06767	1.7
199.07507	3.3
200.08293	0.4
201.05376	0.7
201.09079	1.2
205.06688	0.3
209.06038	0.4
211.07613	0.6
213.05513	1.1
213.09155	3.2
215.04977	0.6
215.07031	5.1
215.10619	2.0
223.07552	4.5
224.08289	0.8
226.06244	3.6
227.07056	2.8
231.04938	0.9
231.06842	0.6
237.05415	0.4
240.07831	0.5
241.08592	7.3
243.06648	0.4
251.07051	5.1
252.07965	0.5
254.05743	1.7
255.06552	0.9
265.08731	0.3
267.06546	1.4
269.08109	100.0
270.08484	0.7
277.08353	0.4
281.08115	0.9
283.09796	0.4
293.08081	3.6
307.26468	0.6
311.09192	3.8
311.12622	0.6
321.19617	0.4
323.09152	0.5
323.12723	0.7
324.14545	0.3
325.14362	27.1
335.09238	2.3
337.14380	0.8
349.14389	1.3
353.09204	0.5
359.08966	1.4
367.15463	2.2
377.10254	3.1
391.15439	1.3
415.15405	0.6
423.07269	0.7
433.16641	0.8
481.11166	1.3
499.12485	0.7
537.17493	0.9
573.29846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05502	0.6
60.32685	0.2
61.59176	0.2
65.03938	0.8
67.05508	1.6
69.07051	0.4
69.63631	0.7
69.64046	0.8
76.74059	0.2
79.05481	1.3
81.07052	1.0
83.08614	0.5
85.02896	0.3
91.05476	0.8
93.07039	0.8
95.04977	5.9
95.08598	0.6
97.06533	0.3
97.10169	0.5
98.20827	0.3
105.07020	0.8
105.29291	0.2
107.08603	0.4
108.02074	1.2
109.06516	0.2
109.10165	0.4
117.07059	0.4
119.08571	0.4
121.06528	0.2
121.10116	0.4
123.04438	1.0
125.05996	0.3
127.63057	0.2
135.04411	0.8
136.01596	0.3
137.05975	1.8
138.43517	0.2
143.08667	0.2
151.03911	100.0
152.04181	0.3
153.05429	0.5
163.03922	8.3
164.18169	0.2
169.06522	0.3
181.04982	0.5
182.07318	0.4
185.06004	0.3
197.06032	0.3
198.06717	1.3
199.03871	0.3
210.06804	1.1
214.06261	1.7
225.05530	0.4
225.09227	1.1
226.06235	2.1
229.08788	0.5
238.06244	1.4
241.08635	3.5
242.05768	2.7
243.10175	1.0
253.04993	1.0
253.08571	0.4
254.05812	0.3
255.06592	0.6
257.08163	2.6
259.09772	0.3
266.05786	3.2
268.07263	1.2
269.08112	4.8
270.08942	0.4
271.09628	0.8
275.20065	0.4
281.08093	7.0
281.17557	0.3
282.05276	0.3
285.07587	15.0
286.08289	0.7
297.07556	6.5
310.04602	0.5
325.07062	6.0
329.07816	0.3
332.27676	0.2
357.07431	0.2
385.06277	0.2
388.09311	0.8
400.09442	0.4
403.11844	2.6
405.13342	3.0
421.12823	2.1
423.07114	0.3
423.14233	0.3
431.11307	7.9
449.12344	21.0
537.15698	0.4
555.16583	2.3
573.48602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01858	0.8
55.05519	1.1
57.07068	3.0
59.04982	0.9
67.05503	2.4
69.07070	1.0
71.08629	3.2
71.55174	0.8
77.72887	0.8
79.05486	1.3
81.07056	1.7
85.10184	1.5
89.06043	2.4
91.05493	1.4
93.07043	1.3
95.04980	1.4
95.08624	2.1
97.02882	0.8
97.10168	0.8
105.07017	1.1
108.04113	0.8
109.10150	1.0
133.08630	1.1
135.04405	10.0
137.06036	0.9
145.10205	0.6
146.77048	0.7
151.03899	7.2
152.04242	1.6
153.04411	0.9
161.06140	1.0
163.03918	100.0
198.06712	1.1
214.06297	2.0
225.05566	1.7
226.06197	2.4
226.66338	0.9
229.08488	1.0
241.08604	4.8
242.05742	4.3
257.08047	3.6
259.09717	2.8
269.08194	3.3
285.07599	54.1
287.09222	1.0
299.08813	0.9
573.48541	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	573.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83620	0.4
53.03934	0.8
55.05497	0.5
57.07074	0.6
61.02900	0.4
67.05492	1.5
69.07054	0.9
71.56353	0.5
79.05486	1.7
81.07049	1.2
91.05498	1.3
92.02597	0.8
93.07059	1.0
95.04972	1.2
95.08603	1.2
97.10229	0.4
105.07033	0.8
107.08595	0.7
109.10143	0.6
119.08557	0.8
121.10142	0.5
133.51091	0.4
135.04430	11.8
137.05972	1.3
142.30682	0.4
142.33591	0.4
151.03896	1.8
163.03917	100.0
165.79398	0.4
198.06761	1.6
199.07442	0.7
206.82481	0.4
214.06299	3.4
225.05467	1.5
226.06198	2.9
227.07056	0.7
229.08641	0.9
241.08566	5.9
242.05721	3.9
242.79953	0.4
253.04971	0.4
257.08130	3.4
259.09747	3.4
267.45642	0.5
269.08054	4.2
270.05127	0.9
275.20056	0.6
285.07593	57.1
287.09195	1.0
519.63513	0.4
573.48401	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
54.53550	0.6
55.01547	0.5
55.01865	3.1
55.05509	1.3
56.96566	0.5
57.03439	1.9
57.07066	0.6
61.02918	1.2
65.03952	1.2
67.05513	3.3
68.99763	0.6
69.03449	2.7
69.07072	1.9
70.76426	1.6
71.05019	0.7
73.02921	1.2
74.17937	0.5
79.05495	1.6
81.03428	2.5
81.07069	5.5
83.04987	1.1
83.08614	1.3
84.08181	0.7
85.02914	6.2
87.00844	2.1
91.05486	2.5
93.07051	4.6
95.05003	0.8
95.08617	7.3
97.02900	2.5
97.41963	0.6
98.97575	0.7
99.04490	0.8
101.02392	4.1
102.03092	0.6
105.07027	3.2
107.04938	0.7
107.08584	3.4
109.02863	3.3
109.10164	4.8
117.07015	0.9
119.04933	2.8
119.08575	2.9
121.02870	11.0
121.06496	0.5
121.09443	0.6
121.10121	3.0
123.11720	1.9
127.03927	2.7
131.08548	0.6
133.10136	1.6
133.78491	0.5
135.11710	2.1
137.05980	1.4
145.02840	2.2
145.04950	0.9
145.10109	0.6
147.04428	0.8
147.11700	0.9
149.13251	1.8
161.13329	1.2
162.67480	0.7
163.03918	0.9
165.01820	0.9
165.12860	0.7
173.02426	0.7
173.13345	0.9
175.03868	0.6
175.14758	0.8
177.01910	0.8
177.05472	0.8
177.16449	0.7
179.03490	1.3
187.04024	0.8
187.14861	0.9
189.01915	3.4
190.02654	0.8
191.03436	2.0
193.01410	1.1
195.02893	2.0
201.01884	1.0
201.05562	0.7
203.03419	2.8
204.04282	0.6
205.05040	0.9
207.02962	3.3
215.03519	1.2
215.17929	0.7
217.04990	1.3
219.03027	0.9
221.04495	0.8
229.01326	1.2
229.04961	1.1
231.03004	0.7
233.00952	0.7
241.05101	0.7
243.02924	1.6
245.04416	0.7
247.02475	1.3
257.04529	0.9
261.03894	1.4
266.05658	1.0
267.06598	1.5
268.07385	2.6
271.02487	1.0
271.24265	1.5
277.25238	1.0
279.06613	2.7
280.07309	1.9
281.08145	1.6
283.05981	4.8
284.06787	1.6
285.04031	0.6
287.01971	1.0
289.25156	0.8
291.06549	1.3
293.04465	1.4
293.08014	1.2
294.05228	5.6
295.06006	24.1
296.06775	4.4
297.07565	9.1
301.06970	0.9
304.07397	0.8
305.07993	0.7
306.05099	0.8
307.06058	16.1
307.26364	2.9
308.06839	5.1
309.04059	1.3
309.07520	8.2
311.05591	0.9
313.07031	2.7
317.07986	0.7
319.06116	3.6
320.06897	1.7
321.04083	0.8
321.07535	7.8
322.04855	2.1
322.08487	1.6
323.05582	4.8
324.06210	2.2
325.07080	21.6
325.27496	2.3
331.06335	0.7
333.07733	3.1
334.08444	0.9
335.05505	3.1
335.09222	3.9
336.06332	2.2
337.03595	0.8
337.07077	16.5
337.11102	1.0
339.05035	1.0
339.08780	2.3
343.85107	0.7
345.07562	1.7
346.08377	1.0
347.05402	1.4
347.09280	1.7
348.06213	1.2
349.03384	5.1
349.07181	8.1
349.10907	1.1
350.08038	2.1
351.05008	0.9
351.08667	3.7
353.06659	5.2
355.08350	0.9
361.03281	1.2
361.07175	6.5
361.10614	0.7
362.08008	0.9
363.04834	0.9
363.08710	2.0
365.06586	2.4
365.10254	1.7
367.08063	3.5
373.07214	1.6
375.04752	0.8
375.08887	3.4
377.06436	5.5
378.07114	0.8
379.04333	0.9
379.08221	7.0
387.08847	0.8
388.06003	0.7
389.06375	4.3
389.10852	0.7
391.08224	7.5
392.05249	0.9
393.05817	1.3
395.07672	2.1
397.05399	1.1
403.08514	3.7
405.05878	3.1
407.07605	4.6
409.09625	1.3
411.07352	1.1
415.04156	1.1
417.05542	0.9
419.07666	1.5
421.09579	3.7
423.07120	22.1
431.07703	2.6
435.07001	7.7
437.08774	2.2
439.10489	0.7
443.07782	1.0
445.09341	1.9
447.07123	1.0
449.08929	1.0
453.08215	21.5
455.07745	1.2
463.10739	1.5
473.09003	3.0
477.08286	17.9
481.07977	1.0
483.08917	1.9
489.08304	4.5
491.09845	2.5
495.08893	0.9
501.08289	6.5
507.09341	7.5
519.09351	12.4
537.10327	37.3
555.11359	100.0
556.11621	1.1
573.12250	12.3
573.25800	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.0
57.03440	1.6
65.03949	2.8
69.03424	1.4
69.24666	6.4
70.06598	1.1
73.36990	0.8
78.55959	0.7
79.05478	0.9
81.03422	1.8
85.02892	3.7
85.44277	0.8
91.05485	0.9
93.03414	1.0
97.02911	1.7
98.21483	1.8
101.02401	4.0
109.02892	3.7
111.04439	1.2
119.04947	4.4
121.02875	54.5
127.03880	0.9
137.05960	1.5
145.02815	3.4
147.04417	1.2
151.03877	0.8
163.03926	1.8
165.01846	2.0
170.55394	0.8
177.01848	2.8
179.03418	1.4
187.03854	2.5
189.01866	2.9
191.03348	1.5
193.01389	0.9
195.02856	2.0
201.01855	0.8
203.03398	5.1
205.01399	2.5
207.02867	4.3
215.03439	1.5
217.01373	0.9
217.04924	2.0
219.02956	1.9
221.04523	2.2
229.01302	1.7
229.04877	1.5
231.02893	1.5
243.02966	3.3
245.04456	1.1
255.02841	1.3
255.06732	0.9
257.04507	0.9
259.02374	1.0
261.03955	1.7
265.04938	1.6
267.06531	2.6
268.07214	4.7
269.04413	1.8
271.02386	2.1
273.03967	2.3
279.06540	3.9
280.07230	1.9
281.04700	0.9
281.08026	1.1
282.05084	0.9
283.06024	11.4
285.03986	2.6
287.01877	2.9
287.05423	1.5
289.03427	2.9
291.05090	1.1
293.04419	2.1
293.08038	2.8
294.05258	5.1
295.06036	33.8
296.06818	6.5
297.07593	6.7
298.08408	1.5
299.01886	3.0
301.03558	1.2
304.07675	0.8
305.08179	2.1
307.06122	14.8
307.09512	2.0
308.06812	4.4
309.04062	1.8
309.07541	5.5
310.04742	1.0
311.01865	0.9
311.05466	1.1
313.03421	2.6
313.06882	1.3
315.05002	3.3
317.02969	3.3
318.08798	1.2
319.06079	3.4
320.06763	1.3
320.18387	1.0
321.03882	5.2
321.07593	15.2
322.04691	2.2
322.08325	5.3
323.05542	11.0
323.08994	1.8
324.06372	3.7
325.07080	33.9
325.10754	1.3
327.04932	1.6
329.06592	1.7
333.07736	4.4
335.05505	5.5
335.09219	4.6
336.06155	2.5
336.09946	2.4
337.03433	2.4
337.07080	6.6
339.04858	1.8
339.08636	2.1
341.02905	1.6
345.07690	2.1
347.05212	1.6
347.09122	2.9
348.06393	1.0
349.03751	6.3
349.07022	7.2
351.04779	1.1
351.08676	5.1
353.06656	5.5
357.06500	2.4
361.06955	10.1
362.07843	2.1
363.04852	1.5
363.08694	3.8
365.02884	2.4
365.10312	2.4
367.04208	0.9
367.08121	2.6
373.07150	2.5
375.04620	1.8
375.08624	2.4
377.06488	7.2
378.07275	0.8
379.08273	4.9
381.06000	2.3
387.08624	1.1
388.05988	1.0
389.06519	3.9
389.10733	1.2
391.08209	4.5
392.05115	1.1
393.05951	2.6
393.10287	1.1
395.07785	4.6
401.06427	0.8
403.08344	1.8
405.05865	6.6
406.07120	1.3
407.07465	7.3
411.06909	3.7
415.04251	1.1
417.05969	3.0
418.06702	1.0
419.07602	3.1
421.09485	3.7
423.07129	100.0
431.07605	2.3
435.07025	23.2
435.12491	1.3
445.09268	1.6
447.07193	1.8
449.08661	7.2
453.08176	48.4
455.07275	3.9
461.09039	2.0
463.10312	7.7
473.08664	2.1
477.08206	66.9
478.08273	0.9
478.77676	0.9
483.07062	5.3
489.08243	13.2
491.09598	2.0
501.08188	27.9
507.09280	33.7
519.09241	29.6
537.10333	35.9
555.11377	13.0
573.12134	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00325	1.0
55.05522	1.5
56.29737	0.6
57.07081	47.3
59.05008	16.7
62.83025	0.5
67.05521	1.4
69.07076	2.8
69.38368	4.4
71.08638	93.5
73.02902	0.9
73.06563	3.4
79.05507	1.3
81.07063	1.2
83.08627	2.0
84.01537	0.5
85.10189	50.0
86.03279	0.5
87.04482	8.7
89.06039	100.0
91.05472	0.7
91.07600	1.2
93.07064	0.8
95.08582	0.7
97.06476	0.6
97.10162	1.1
101.06023	0.5
103.07590	5.4
107.07063	2.0
107.08569	0.6
107.39722	0.5
109.10149	0.9
117.09141	2.1
127.14851	6.5
130.08629	3.4
131.07076	4.8
131.10690	0.5
133.08615	70.4
141.16357	0.9
146.12450	0.5
161.11659	0.8
167.17920	1.2
175.09677	4.7
177.11244	35.1
185.19040	9.1
219.12213	1.4
221.13852	7.4
222.76773	0.6
226.21681	0.7
229.21664	5.7
239.14828	1.9
265.16428	1.8
283.17560	4.1
291.49817	0.5
309.18961	1.0
327.20157	3.2
353.21472	2.4
371.22791	23.6
411.25876	4.1
415.25522	3.0
429.26691	0.8
453.67889	0.6
555.41083	7.0
572.35663	2.3
572.43097	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	571.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.8
55.01874	12.3
55.05514	65.6
61.02923	8.7
67.05230	7.2
67.05516	87.3
69.07070	69.1
71.05609	18.2
79.05492	62.4
81.07064	100.0
83.08643	40.0
84.34270	6.5
85.02876	7.9
91.03950	6.9
91.05483	70.3
93.07053	77.1
95.04967	11.9
95.08614	63.9
97.06522	33.6
97.10173	53.2
105.07050	45.1
107.04939	8.3
107.08611	52.6
109.10137	37.2
117.07014	50.7
119.08608	48.5
121.06493	6.9
121.10166	40.1
123.11676	13.8
125.09639	26.3
129.07016	19.5
131.08595	74.1
133.10124	32.7
135.08015	12.0
135.11694	25.0
137.05942	12.6
141.06969	8.1
143.08577	21.9
145.10139	64.5
147.11679	35.7
149.13252	16.6
151.03946	47.4
153.09154	8.2
155.08521	11.8
155.53073	7.0
157.10133	31.7
157.80470	6.8
159.11720	43.9
161.13269	10.8
162.82271	7.9
169.10155	16.0
171.11688	24.6
173.13281	28.1
175.14815	13.7
183.11711	18.4
185.13261	20.8
187.14825	11.7
189.11320	13.8
197.13158	7.5
199.14864	16.4
201.16508	13.4
211.14894	9.1
215.17909	10.9
259.20755	7.7
263.20255	7.7
265.62439	8.9
277.21625	19.2
297.07483	8.9
317.03403	8.8
367.30106	10.3
373.30978	7.6
385.31003	86.5
399.32849	10.6
459.34564	17.2
473.36365	13.4
517.40167	8.4
535.41486	26.4
537.96448	7.7
553.42505	78.9
571.35699	9.2
571.43542	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06377	0.9
50.89410	0.8
53.65025	0.8
55.05516	3.0
57.03438	2.0
57.07081	100.0
58.04231	6.7
58.27450	0.8
59.05007	34.9
63.14905	0.9
67.05490	3.8
69.07077	4.9
69.21581	9.4
70.24742	0.9
71.04987	1.5
71.08636	78.9
72.05788	5.7
73.02905	3.9
73.06570	5.6
79.05492	1.1
81.07066	5.5
82.07825	1.4
83.08620	5.0
85.10189	67.3
86.07320	1.2
87.04473	7.6
87.08098	2.9
88.05241	1.6
89.06035	13.0
90.01407	1.7
90.01926	23.0
91.05499	2.1
93.07053	2.3
95.08606	2.3
96.09430	1.1
97.10165	4.1
99.11110	1.6
99.11735	12.4
100.08911	1.4
101.06027	1.6
101.09660	2.6
103.07591	5.2
107.08597	2.1
109.10151	1.8
111.11710	1.8
113.13264	4.2
115.07556	1.3
116.08356	2.3
117.09138	10.4
122.58729	1.1
133.08603	4.8
136.09822	1.0
141.16426	1.1
147.10161	1.9
152.15608	2.7
155.17952	8.7
161.11717	1.8
177.11234	1.1
178.07144	4.8
179.12761	1.7
183.17479	3.1
208.15404	0.9
209.13858	2.1
212.21350	2.2
213.22150	17.3
219.15948	1.2
222.09825	4.4
237.17009	2.3
239.15150	1.2
266.12317	3.0
267.18027	2.1
271.26303	8.1
284.13412	4.7
324.23859	2.2
331.92773	1.0
342.17609	3.2
407.47949	1.0
420.36917	8.0
462.17374	1.0
517.89142	1.1
565.91498	2.5
571.39722	13.6
571.47272	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	571.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25414	0.3
55.05491	0.6
67.05518	0.7
69.03410	0.3
69.07059	0.8
69.51523	2.5
71.21468	0.3
81.03405	0.4
81.07041	0.9
83.08625	0.5
85.02897	0.5
91.05491	0.8
93.07059	0.7
95.08600	1.0
97.02929	0.4
98.21522	0.6
98.97561	0.5
101.00860	0.4
107.08604	0.4
109.10169	0.7
119.08598	0.3
121.10130	0.5
123.04440	1.2
137.05962	0.5
145.06471	0.4
147.04388	0.3
157.03470	0.5
158.99567	0.4
159.11829	0.5
168.31009	0.3
171.05025	0.5
185.04250	0.5
197.06133	0.3
203.05270	0.8
207.06593	0.5
220.47974	0.3
221.05147	0.5
227.05150	0.6
241.51094	0.4
244.75064	0.4
245.06371	3.4
255.06439	0.5
271.04303	0.6
281.07971	0.4
283.05988	0.4
289.05280	9.8
299.05563	0.6
305.24548	3.6
323.25589	7.9
347.24847	0.7
365.25385	2.3
377.25366	0.5
435.74573	0.4
439.25711	0.7
441.48837	0.3
455.77686	0.4
467.29636	1.5
485.30667	4.2
509.30786	2.9
527.31891	15.2
553.29858	17.2
571.30859	100.0
572.31213	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.2
57.03434	4.3
57.07080	100.0
58.04210	7.8
59.04709	3.8
59.05006	76.8
67.05495	5.4
69.07062	8.3
70.07836	1.9
71.08636	92.6
71.15744	1.7
71.48096	2.4
72.05765	5.7
72.42982	1.6
73.02896	3.7
73.06544	2.9
75.59596	1.9
76.65834	1.7
79.05482	3.0
81.07053	8.5
83.08619	6.2
85.10186	99.9
86.07318	4.2
87.04465	10.1
87.08109	4.2
89.06036	11.1
90.01923	35.8
91.05483	2.3
93.07060	3.6
95.08619	2.9
97.10152	4.1
99.11732	13.5
100.08877	2.6
101.06020	1.9
101.09651	8.0
102.05536	2.3
103.07568	3.7
107.08585	2.6
111.11692	2.0
116.08385	2.5
117.09139	21.2
121.10138	1.9
133.08604	6.7
133.10063	1.9
135.11710	1.9
136.74634	1.8
138.14021	2.4
141.16379	9.8
150.74744	1.6
154.07558	2.0
165.11230	2.5
177.11287	2.6
178.07130	4.3
186.13953	1.5
193.14369	1.9
198.19824	2.2
199.20561	20.8
222.09685	9.0
233.17389	2.3
240.10721	2.5
240.23170	2.4
251.18636	1.9
257.24783	25.8
264.25565	1.9
281.19534	1.9
315.29016	2.1
356.18927	2.4
359.81464	1.8
420.36734	9.0
565.91309	3.8
571.40131	3.1
571.47388	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	571.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
53.58171	0.7
55.01872	3.4
55.05498	1.8
57.03435	1.5
61.02921	2.3
65.03928	1.5
67.05499	2.2
68.99778	2.2
69.03424	7.2
69.07059	2.1
69.50047	3.3
69.50453	1.5
70.06592	1.1
71.04990	1.9
72.38799	0.7
73.02922	1.5
79.05492	3.4
81.03424	7.3
81.07068	6.1
83.01326	0.7
83.04986	0.8
83.08622	1.2
84.08141	1.2
85.02429	1.1
85.02915	14.9
85.06561	0.7
87.00826	4.5
89.06042	1.1
91.05477	5.9
93.07064	3.2
95.04972	3.0
95.08591	2.5
97.02898	5.4
97.06521	1.0
98.97595	1.9
99.04469	2.8
103.03973	0.8
103.05474	0.9
103.68752	0.8
105.01862	2.8
105.07031	5.4
107.04977	4.1
107.08583	2.2
109.02882	8.2
109.06509	2.7
109.10157	1.9
115.05478	1.7
117.07047	1.3
119.04937	6.2
119.07810	0.7
119.08569	4.3
121.06512	1.7
121.10151	1.5
123.04434	43.6
123.08059	0.8
123.11680	1.0
127.03938	11.4
128.06219	2.0
129.01860	1.5
131.04933	1.7
133.06487	0.9
133.10123	2.2
135.04457	5.8
135.08069	0.8
135.11740	0.9
137.05989	2.5
141.06978	0.9
143.08563	2.9
145.04968	3.4
145.06413	1.6
147.04422	36.0
147.08057	18.0
148.05196	2.0
149.06006	1.8
153.05499	0.8
155.08516	0.8
157.10159	1.4
158.99606	0.7
159.02872	3.2
159.04303	1.5
159.08107	1.6
160.05249	0.8
161.05972	2.3
161.09625	3.7
163.03920	12.7
163.07538	1.3
165.05560	1.3
165.07115	0.7
167.07120	0.9
171.04436	1.4
171.08078	7.0
173.04558	0.7
173.06001	2.6
174.06752	1.6
175.07556	2.3
177.05495	1.3
177.09126	1.4
179.08580	0.7
183.08072	0.7
184.07324	1.2
185.05988	2.4
185.09575	1.2
187.07584	3.5
189.05481	2.0
189.09119	47.9
195.08084	1.9
197.05949	1.0
198.06714	1.4
199.07520	2.0
201.09167	4.7
207.07993	1.0
211.07530	2.5
213.05655	1.2
213.09145	7.8
215.07103	3.0
223.07513	1.2
225.09094	1.9
229.08652	1.6
231.10226	1.1
233.09709	1.1
235.07518	0.8
239.07085	1.0
240.07881	0.8
241.08849	0.8
251.06877	0.8
253.08559	2.3
255.06519	1.9
255.10223	0.7
262.09830	0.9
263.06989	1.7
267.06573	2.6
267.10043	1.2
269.08078	7.4
277.08786	0.8
277.12332	0.9
279.06552	1.2
280.07416	2.2
281.08112	2.1
281.11627	1.2
287.23666	0.9
290.09381	0.8
291.10217	1.8
293.08063	2.2
295.10013	1.3
295.13312	3.1
305.11731	1.1
305.24741	1.1
308.10461	2.2
309.11185	2.8
321.11246	2.7
323.12802	100.0
324.13293	1.5
335.12573	2.0
347.09015	0.7
347.12781	3.9
365.13818	5.2
389.13776	2.6
413.13348	1.1
431.15076	5.3
535.15973	2.1
553.17053	1.0
553.31610	0.8
571.29413	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
55.05500	0.2
57.03432	0.2
67.05472	0.4
69.03436	0.3
69.07055	0.4
71.04976	0.2
76.66599	0.1
79.05488	0.3
81.03394	0.4
81.07029	0.6
81.24589	0.1
84.08164	0.2
85.02885	0.6
91.05484	0.9
93.07027	0.3
95.08595	0.4
97.02901	0.2
98.20683	0.3
98.97562	0.3
105.07018	0.3
107.04964	1.0
107.08599	0.2
109.02837	0.2
109.06557	0.2
109.10101	0.2
118.86209	0.2
119.04928	0.5
119.08578	0.3
121.02845	0.6
121.10093	0.2
123.04375	0.2
123.11686	0.2
127.03882	0.5
129.06987	0.4
131.04912	0.2
133.10068	0.3
137.05949	0.5
141.06993	0.2
145.02863	0.2
145.04884	0.2
145.10133	0.2
149.02383	0.7
153.07018	0.2
155.08542	0.4
157.06529	0.8
157.10054	0.2
159.11696	0.2
161.02357	0.3
163.11215	0.2
165.07007	1.2
167.07101	0.2
175.07541	0.1
183.08061	0.4
184.07355	0.2
185.05995	0.4
193.06467	0.4
195.04474	1.6
197.06091	0.2
201.16412	0.2
202.82039	0.1
211.07529	0.8
221.05956	0.4
223.07246	0.1
239.06998	2.6
239.09267	0.2
249.05466	0.4
251.28535	0.1
255.06548	0.2
257.11392	0.1
267.06522	100.0
268.07004	1.0
305.24841	0.2
323.12778	76.2
324.13071	0.8
341.74374	0.2
429.40076	0.1
439.16266	0.2
499.94534	0.2
571.17676	1.0
571.32623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81259	0.5
53.03938	2.0
55.01879	3.3
55.05521	0.7
57.03423	1.5
60.08171	1.2
61.02926	1.1
63.66282	0.6
65.03932	0.9
67.05511	3.0
68.99792	2.0
69.03439	6.9
69.07070	1.3
69.33396	4.6
71.01363	0.5
71.04989	1.1
71.07365	0.6
73.02917	1.4
78.54752	0.5
79.05503	3.0
81.03414	7.4
81.07061	4.6
81.72847	0.5
83.04981	0.8
85.02425	1.0
85.02912	13.6
86.09715	8.1
87.00827	4.2
87.10043	1.2
91.03993	1.0
91.05482	6.0
93.07030	1.6
95.04975	1.7
95.08637	1.2
97.02905	5.0
97.10191	0.6
98.97601	0.6
98.98450	0.8
99.04488	3.2
103.03943	0.9
103.05475	0.6
104.10722	0.9
105.01883	2.6
105.07031	3.5
107.04939	3.9
107.08604	0.6
109.02880	6.0
109.06517	3.0
109.10187	0.9
115.05455	1.0
117.01883	0.5
117.07014	1.9
119.04957	5.5
119.08604	3.2
121.06512	1.5
121.10165	0.9
123.04440	45.7
123.11700	0.8
124.99998	4.8
126.00342	0.6
127.03085	0.8
127.03931	9.4
128.06210	1.7
129.01814	1.0
129.07010	1.5
129.56859	0.5
131.04944	2.5
131.08553	1.5
133.10143	1.9
135.04422	6.8
137.05960	2.9
141.06987	1.1
143.08578	2.9
144.05688	0.6
145.04968	3.1
145.06485	1.1
145.10127	1.2
147.04424	36.7
147.08052	19.0
147.11667	1.0
148.05217	1.4
149.05934	0.9
151.03891	0.7
153.05528	0.6
155.08554	0.7
157.06483	0.9
159.02917	3.2
159.04269	1.0
159.08105	1.0
160.05200	1.3
161.06020	3.1
161.09653	3.8
163.03928	11.2
163.07590	0.7
165.05479	1.6
167.08533	1.1
169.06488	0.7
171.04433	1.1
171.08054	8.2
173.05981	3.4
174.06685	0.7
175.07556	2.6
177.05504	0.7
177.09073	0.8
179.08614	0.8
181.06546	0.5
183.07974	0.9
184.07352	24.9
185.05952	2.3
185.07683	4.3
185.09459	1.1
187.04028	0.8
187.07510	3.8
189.05490	1.7
189.09120	47.8
195.08060	2.3
197.05913	0.9
198.06816	2.0
199.07593	2.6
201.09158	3.9
207.07994	0.8
211.07553	1.6
213.05554	1.3
213.09114	8.3
215.07013	3.5
223.07504	0.7
224.08337	0.6
225.09135	1.7
226.06349	0.5
227.06921	0.7
229.08557	1.6
231.04784	1.0
231.06744	0.9
231.10020	1.1
235.07614	0.9
237.09116	1.4
239.07060	1.4
239.10663	0.5
240.07780	1.0
241.05020	1.2
249.09242	0.6
251.07063	0.9
253.08615	2.5
255.06459	3.2
255.10280	1.3
262.09875	0.8
263.06995	1.0
266.06024	0.6
267.06284	1.2
268.07217	0.6
269.08109	7.0
277.08694	0.6
277.12057	0.7
280.07245	2.0
281.08069	2.0
293.08145	2.3
294.08752	0.7
295.09659	2.2
295.13309	5.7
297.11230	1.3
305.11688	0.7
305.24817	1.0
307.09711	1.3
308.10486	1.6
309.11227	3.7
319.09802	0.5
321.11414	2.6
323.12793	100.0
335.08426	0.6
335.12827	2.5
347.12778	4.8
359.12448	0.7
365.13803	4.9
377.13480	0.7
389.09573	0.7
389.13766	2.6
413.13922	1.3
431.15012	3.6
453.24402	0.7
491.28165	0.8
535.16632	1.0
571.24988	0.6
571.34003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03165	0.3
55.01862	0.3
55.05493	0.2
61.02914	0.2
65.03948	1.1
65.86036	0.2
67.05508	1.1
68.99774	0.2
69.07063	0.2
70.29469	0.6
71.08617	0.4
75.56013	0.2
79.05490	0.4
81.07041	0.4
85.10165	0.2
89.06026	0.2
91.05473	0.6
93.07059	0.3
95.04366	0.4
95.04975	7.4
95.08600	0.4
98.20824	0.2
105.06986	0.3
107.08612	0.4
108.02106	1.4
109.10115	0.2
118.67928	0.2
123.04433	1.1
137.06010	0.2
148.05200	0.5
151.03905	100.0
156.61072	0.2
180.90610	0.2
196.05170	0.3
198.06819	0.4
211.07545	0.5
213.09053	1.4
213.18500	0.2
225.05496	0.4
226.06306	0.2
240.07872	0.3
241.08456	0.3
269.08072	0.3
282.05246	0.2
297.07578	9.8
412.71603	0.2
421.12839	7.8
571.34473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.2
57.07078	100.0
59.05004	23.3
70.25437	3.0
71.08636	74.5
83.08609	2.5
85.10188	62.3
87.04459	3.6
89.06036	48.0
91.25555	1.1
91.75104	0.8
97.10183	2.4
98.21152	1.8
99.11736	12.4
101.09624	1.9
103.07584	1.4
111.11739	1.2
113.13273	5.4
117.09117	5.3
131.07024	1.5
133.08618	33.7
147.10127	2.3
155.17958	11.7
175.09671	1.9
177.11227	20.9
209.80070	0.9
213.22147	25.8
221.13866	2.3
224.21434	0.8
235.15309	1.3
265.16464	1.9
271.26389	11.7
283.17502	17.9
291.82578	0.8
323.20700	4.7
341.21692	7.1
353.97198	0.9
371.22772	3.1
381.24896	2.3
553.42993	3.2
570.45532	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	571.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
55.05503	1.7
56.96565	1.4
58.20544	0.9
61.02920	1.6
65.03945	1.0
67.05487	3.2
68.99789	3.3
69.03427	1.1
69.07087	1.0
71.52437	1.2
79.05482	2.7
79.32381	0.9
80.38691	0.9
81.07059	2.6
83.04973	1.7
83.08621	1.2
85.02907	2.7
91.05463	3.9
93.07010	1.5
95.04958	2.3
95.08592	3.6
97.02890	1.0
97.94147	1.0
98.97585	1.8
103.05455	1.9
105.07034	2.4
107.04952	2.8
107.08562	2.3
108.02173	0.9
108.54337	0.8
109.10172	1.2
111.04469	2.0
118.04174	1.7
119.04900	1.1
119.08592	2.2
121.02856	1.1
121.10139	1.4
123.04436	13.6
129.07045	1.6
131.04950	4.7
131.08556	1.0
133.10126	1.1
134.03679	6.9
135.04373	1.9
135.11642	1.1
137.02341	1.8
137.05980	1.2
139.03873	1.3
146.03650	1.1
147.04393	12.1
153.01779	0.9
153.05472	14.7
159.04385	1.1
159.11646	1.0
160.05183	1.8
161.02464	1.0
161.05923	1.7
162.03101	0.9
162.05482	1.1
163.03934	16.1
164.04721	2.3
167.03423	2.2
171.04384	1.7
172.05205	1.5
173.06033	2.8
175.03914	3.5
177.05501	1.6
180.00543	5.2
183.02858	2.2
184.05168	1.5
185.02409	1.2
186.01541	1.0
186.03119	3.6
187.03931	5.3
188.04663	2.8
191.03435	1.9
195.02911	26.3
198.01584	11.9
199.03860	2.4
200.04721	6.9
200.12761	1.1
201.02066	1.0
201.05478	6.2
202.06201	2.1
203.03438	7.1
203.07101	4.8
204.04088	0.9
205.04941	5.1
207.02902	4.0
211.03947	2.7
212.04787	1.7
213.03912	18.8
213.05684	1.8
214.02621	1.9
215.03427	5.6
216.04211	1.4
217.05000	3.4
219.01833	3.5
226.02501	1.0
227.03438	2.0
227.07066	1.2
228.04228	7.0
229.01344	12.9
229.04912	5.9
229.08621	1.0
230.05765	17.7
231.06485	1.3
232.03682	1.8
233.04434	2.3
237.02753	1.9
239.03326	1.5
239.06978	1.3
240.06789	0.9
241.04964	1.3
242.02277	1.1
243.02940	2.9
253.05089	1.5
255.02893	7.4
255.06644	1.5
256.03650	3.6
257.00842	3.9
257.04456	7.3
257.07965	1.4
258.05267	12.0
261.03848	3.4
261.07544	1.1
267.02878	1.1
267.06509	1.6
269.04440	11.4
270.01581	8.2
270.05072	1.8
271.06061	1.7
273.03909	1.8
274.04858	1.3
279.03799	1.6
284.03204	8.5
285.03940	71.2
285.07547	52.4
286.04614	1.4
288.02658	4.7
297.03845	4.2
299.02051	1.6
299.05527	3.7
299.09128	14.5
303.05005	42.9
312.02655	10.1
314.04153	3.5
315.05179	5.7
327.05008	30.6
329.03049	7.7
329.06509	2.1
330.03488	1.5
342.03708	37.6
345.06030	9.3
347.08951	1.3
357.06061	39.7
387.09839	0.9
389.10211	30.7
407.11282	100.0
417.09802	1.2
418.10562	2.3
419.11215	2.7
431.11414	8.7
437.12045	2.7
443.72021	1.1
446.09653	3.0
449.12234	3.8
461.12335	79.2
462.12897	3.1
467.09729	16.3
481.08365	2.2
482.09149	1.3
541.10358	1.2
571.15930	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	570.343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	5.0
58.06612	2.4
60.04545	0.5
67.05499	0.6
70.06595	16.4
71.08632	2.7
71.56062	0.5
81.07043	0.9
88.07638	18.6
88.72114	0.6
89.06024	0.6
91.95496	0.5
102.09193	12.8
103.05524	0.5
105.03397	12.5
149.02367	10.7
149.05989	56.0
174.28125	0.6
175.03928	0.8
175.51521	0.5
180.88431	0.5
181.06519	1.5
184.07321	0.5
193.04974	9.6
194.06363	0.5
219.06543	0.8
256.26367	43.9
297.07596	12.1
329.64902	0.5
341.10208	49.2
475.44421	0.5
544.90186	0.5
570.34259	100.0
571.35364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.1
57.07078	98.8
59.05005	16.4
63.56361	1.5
67.05480	1.4
69.07054	4.9
71.08634	100.0
71.55129	1.7
73.02921	93.5
73.06555	3.6
81.07061	1.4
83.08609	1.3
85.10185	85.8
87.04480	6.2
89.05479	3.1
89.06034	62.1
97.10174	3.7
99.11738	10.6
103.07566	4.7
104.09534	1.4
117.05524	2.2
117.09127	3.8
127.14839	3.0
130.08675	1.4
131.07027	2.6
133.08609	42.9
141.16382	7.8
155.17958	2.1
161.08083	4.3
161.84509	1.4
175.09642	1.6
177.11229	19.9
185.18872	1.9
199.20593	11.3
205.10767	11.1
213.22240	1.5
221.13853	5.9
229.21635	2.5
239.14903	2.8
243.23273	4.2
249.13422	4.3
271.26379	3.8
283.17636	4.2
299.18967	1.3
315.28806	2.3
327.16501	1.2
327.20142	19.8
355.19724	5.3
371.22946	7.4
375.28839	1.4
425.15839	2.3
426.16354	2.9
439.17584	1.8
440.17993	4.9
441.18570	2.4
453.15262	3.1
454.15988	8.2
455.20871	3.1
456.21054	13.4
467.17139	2.7
468.17401	13.6
469.18234	2.8
482.19305	2.3
483.19946	5.0
553.43066	7.8
570.24298	50.6
570.34009	3.0
570.42230	17.1
571.24286	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87621	2.2
51.42709	2.2
53.03937	6.4
55.01862	6.3
55.05499	7.0
57.03419	8.6
61.02917	5.3
67.05504	16.2
69.03432	35.4
69.07064	12.8
70.06575	4.4
71.04979	5.2
73.02904	3.2
77.17316	1.7
79.05473	7.5
81.03417	29.2
81.07061	52.3
83.04989	4.9
83.08599	5.1
84.04533	1.9
85.02907	67.7
85.06536	2.9
86.09689	5.5
87.00816	7.8
91.05489	18.4
93.07061	9.8
95.04969	4.5
95.08627	15.4
97.02888	20.8
97.06528	3.9
98.97516	2.3
99.04468	9.8
99.08072	4.7
101.02374	3.3
105.01907	10.8
105.07023	26.7
107.08573	10.9
107.57196	1.9
109.02882	22.9
109.06512	4.4
109.10122	2.2
115.03945	3.2
119.08581	23.3
121.06505	24.5
121.10140	25.1
123.04403	4.2
123.08058	2.4
123.11721	27.9
124.37019	2.0
127.02966	3.7
127.03918	64.5
127.07547	5.7
131.08594	2.8
133.10112	7.5
137.05983	5.5
137.13231	4.5
138.09117	7.5
141.01796	3.5
141.09129	2.0
145.04988	15.5
147.10509	4.8
147.11690	92.5
149.09595	3.2
157.10121	4.3
157.56873	2.1
159.02869	3.7
165.12756	52.3
167.06982	2.3
175.11205	3.1
180.08725	3.3
183.13808	11.5
189.03860	2.3
193.12233	14.5
211.13353	10.9
213.04144	2.7
229.14363	100.0
229.50951	2.2
231.04977	4.8
249.05898	3.6
273.05869	2.8
283.06104	2.6
294.05054	2.4
309.16959	3.1
319.15414	12.6
337.16479	87.3
352.13934	2.9
355.17529	64.7
355.21851	4.8
373.18585	32.0
490.28149	9.0
508.29266	3.4
552.31073	4.7
570.21851	9.1
570.32227	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	570.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01189	1.2
53.00312	2.3
53.03929	2.5
55.01857	2.0
65.03938	1.5
68.99796	1.8
69.03431	5.5
69.76754	6.2
70.06607	2.5
73.02917	1.9
79.05492	1.7
81.03423	9.2
85.02902	9.5
87.00826	4.7
91.05482	22.8
93.98156	1.3
96.04516	1.8
97.02901	4.2
98.97586	1.6
99.04469	3.0
105.01861	1.3
105.07121	1.4
107.04964	1.9
109.02897	7.2
111.04444	2.9
113.02342	2.1
113.06057	1.6
115.05466	1.8
117.01845	1.7
119.04955	14.9
120.33308	1.4
123.04425	2.4
123.06813	3.9
125.05992	2.7
127.03912	6.6
129.07002	1.5
135.04440	1.7
137.02414	2.5
137.05978	100.0
139.03896	8.7
141.05453	8.6
147.04422	3.7
153.05437	1.5
154.08656	2.7
157.06491	3.5
159.02873	3.7
161.05980	1.8
163.03957	1.5
164.07082	7.5
167.03427	2.7
169.04930	11.2
171.04424	1.4
172.05176	2.9
175.07542	1.8
185.06006	3.9
187.07495	6.1
189.05508	2.0
194.08067	1.5
199.07695	1.6
199.37241	1.3
200.04688	19.1
201.05409	4.6
203.07092	2.3
212.04640	2.4
213.05472	5.3
215.07031	17.3
216.07773	3.4
217.08615	1.3
222.11166	1.3
227.07040	3.5
228.04147	2.9
229.04955	1.8
230.05760	2.5
231.06631	1.5
241.04965	3.7
243.06543	23.7
244.09694	29.5
245.08098	10.1
246.51566	1.2
253.12042	1.5
255.06467	1.8
259.06009	6.4
260.06885	8.2
272.09180	40.8
272.51740	1.4
273.07571	86.7
274.08020	1.8
274.10745	3.3
276.12292	1.4
287.09201	1.9
290.10217	47.1
290.13437	2.7
304.11792	97.4
305.10126	18.9
322.12833	45.3
322.16626	1.3
332.11191	2.3
380.11230	3.7
408.11462	1.7
476.15457	1.9
502.13657	1.4
520.14508	10.7
538.15894	5.2
552.17065	1.7
570.17432	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	570.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.0
53.03952	7.3
55.01876	9.3
55.05503	2.2
56.45503	0.7
57.03432	5.6
59.99114	5.8
61.02931	5.2
64.10809	0.7
65.94246	0.7
67.05516	0.9
68.99799	3.9
69.03435	39.1
69.07064	1.2
69.57714	5.5
71.01336	1.3
71.04990	5.0
72.08140	2.4
73.02921	9.2
73.06561	11.0
79.05489	1.5
81.03423	45.1
81.07091	0.8
83.01341	1.3
85.02910	100.0
86.06075	5.6
86.09696	1.0
87.00837	32.2
87.04480	1.3
91.03947	2.3
91.05457	1.1
95.04982	1.4
97.02901	38.7
98.97595	1.1
99.04459	22.7
101.02371	1.0
102.00139	2.0
102.03754	0.8
102.99651	0.9
103.03963	0.9
103.29128	0.8
105.01876	41.0
106.06563	76.5
109.02887	47.5
109.03465	0.7
109.03672	0.8
115.03925	1.6
115.08706	1.4
116.07104	1.2
117.01880	5.0
119.08605	0.9
123.10673	0.8
124.29376	0.8
127.03925	94.1
129.01811	4.8
132.04803	40.1
134.06007	6.3
137.05908	1.1
145.04996	59.7
147.02904	5.9
157.13351	4.0
159.02895	27.3
171.02939	1.7
174.05734	1.1
175.05382	3.0
177.03992	2.5
184.07443	2.2
187.06033	1.5
189.03937	2.0
191.11780	3.1
193.08636	3.0
208.05363	5.5
213.03979	6.6
217.10095	9.4
231.05020	52.1
249.06071	17.0
250.10059	5.6
280.11194	3.1
308.04343	1.5
320.13388	1.9
322.09680	1.3
344.08124	0.9
362.09048	1.1
380.10092	19.4
465.09067	1.8
465.15442	32.1
473.89352	0.9
570.21240	17.7
570.29883	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	11.3
55.05507	11.4
55.26468	2.2
62.96043	2.4
67.05502	22.9
69.07073	27.8
71.01359	32.6
75.04481	7.5
75.81593	3.3
79.05498	13.9
81.07064	42.0
83.08639	12.9
84.12804	2.5
85.02919	34.2
91.05492	14.9
93.07051	34.3
95.08615	100.0
97.10155	7.1
101.02391	59.0
105.07040	38.1
107.08611	58.8
107.09317	1.4
109.10162	78.5
111.08083	5.7
111.11741	7.2
119.08595	49.2
121.10151	48.2
123.11723	33.5
127.03928	12.2
128.20123	2.6
131.08566	6.3
133.10133	46.0
133.11078	3.2
135.11717	50.2
137.13295	8.1
145.04971	79.9
145.10127	9.9
147.11699	37.3
149.13281	24.4
151.11215	3.5
157.10213	2.6
159.11717	16.4
159.36864	2.5
161.13268	36.2
163.14827	25.8
171.11743	2.8
173.13293	11.2
175.14833	34.1
177.16397	25.8
179.14409	6.9
179.17969	7.6
187.14801	14.0
189.16406	45.2
191.17958	22.3
193.15697	2.7
199.14880	2.7
201.16422	10.3
203.17986	32.8
205.19527	21.3
207.17455	52.4
213.16467	3.2
215.17938	14.7
217.19543	53.7
221.18990	5.7
227.18013	3.6
229.19543	20.3
231.21030	7.3
243.21057	8.6
245.22748	10.6
247.20714	3.1
257.22653	7.3
269.22675	2.9
271.24106	11.7
283.05997	9.5
283.24475	2.7
285.25873	5.2
297.25677	3.8
312.33340	2.6
315.26761	6.1
325.03275	4.1
365.32300	4.6
407.36664	38.8
425.37863	56.3
465.08209	3.5
545.28406	2.8
569.14746	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	569.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42921	0.6
66.59735	0.6
70.05247	0.7
70.05534	3.3
70.14252	0.6
70.72192	0.6
72.45438	0.6
94.93013	2.5
112.60677	0.7
138.39384	0.6
142.45052	0.7
145.10193	0.6
150.95592	18.4
158.24506	0.6
158.66600	0.7
162.28342	0.7
163.90675	0.7
166.95049	0.9
180.96638	2.4
194.42506	0.7
208.96147	10.1
213.56216	0.6
226.97202	100.0
257.99039	0.7
381.08054	9.4
475.61496	0.8
591.58423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
67.05505	0.5
69.03425	0.4
69.07054	0.5
71.04987	0.5
71.57102	0.5
73.81896	0.3
75.84738	0.3
79.05491	0.6
81.07057	1.0
83.08615	0.8
85.02896	0.9
89.06041	0.3
91.03933	0.4
91.05479	0.7
93.07051	0.8
95.08595	1.1
97.02858	0.5
97.10149	0.3
105.07072	0.6
107.08605	0.8
109.02843	0.3
109.10154	0.6
119.08604	0.6
121.10133	0.4
123.11704	0.3
127.03918	0.8
131.08563	0.4
133.10101	0.5
137.05989	0.6
145.10051	0.3
147.04422	0.4
149.05988	0.3
159.46834	0.3
166.70180	0.3
176.07030	0.3
185.04128	0.5
197.15393	0.3
201.03635	0.3
203.05322	1.0
208.31599	0.2
214.66058	0.3
253.12831	0.4
259.07953	1.2
285.07422	0.3
295.14655	0.3
331.10165	0.6
333.20410	0.5
407.24069	1.5
457.20587	2.3
459.10629	0.5
471.22006	2.9
487.21716	0.9
569.29321	100.0
570.29749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.7
55.05511	13.5
57.07070	4.8
61.02913	2.7
64.61029	2.7
67.05513	26.8
69.07073	25.9
70.20786	8.2
70.21115	2.7
71.01357	30.5
71.04975	2.8
75.04475	7.8
78.92526	2.6
79.05478	11.0
81.03404	4.1
81.07068	43.9
83.08622	14.7
85.02905	41.9
91.05481	17.9
93.07055	37.0
95.08616	100.0
96.04273	3.0
97.06596	2.9
97.10180	8.9
101.02391	68.6
105.07031	36.5
107.08600	56.1
109.10161	87.0
111.08086	7.3
111.11723	5.2
117.06970	3.9
119.08591	60.0
121.10149	59.3
123.11714	28.7
127.03886	14.2
131.08580	7.8
133.10126	46.2
133.79964	2.6
135.11699	51.4
137.05956	4.3
137.13243	10.3
145.04970	88.4
145.10150	10.2
145.44397	2.7
147.11705	47.5
147.96071	2.7
149.13290	28.1
151.11183	5.9
156.48058	2.8
159.11668	18.2
161.13293	45.7
163.14841	26.0
173.13289	14.2
175.14835	39.4
177.16397	27.5
179.14278	7.8
179.17960	5.6
187.14806	12.8
189.16391	52.3
191.17931	26.9
201.16409	14.6
203.17964	32.2
205.19492	20.6
207.17450	66.4
215.17961	12.4
217.19533	60.2
227.17828	3.3
229.19592	18.1
231.21156	12.0
243.21191	9.5
245.22591	14.3
247.20558	3.9
255.21115	8.1
257.22626	11.0
261.21881	3.7
269.22638	4.4
271.24237	15.7
285.25735	3.9
290.97565	3.3
297.25668	6.9
315.26770	4.6
365.31915	6.3
407.36804	39.4
424.45557	3.1
425.37756	56.8
569.14386	7.1
569.32990	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	568.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71042	0.5
55.05514	1.6
57.03445	2.2
57.07078	70.7
59.05006	32.3
69.07072	1.7
69.25717	4.6
71.08635	53.0
72.04532	3.2
78.96973	0.5
81.07065	0.7
83.08627	1.9
85.10186	44.4
87.04475	1.5
88.07605	0.8
89.06031	8.4
95.08615	0.8
96.28603	0.5
97.10200	2.8
98.20702	0.9
99.08123	0.6
99.11738	9.2
100.07613	0.5
101.05976	0.6
101.09665	3.0
102.09213	2.4
103.07574	0.6
107.07097	0.6
111.11700	0.5
113.13310	3.6
115.07590	1.3
116.10741	3.5
117.09135	12.3
117.09909	1.0
119.10645	0.6
121.49593	0.5
126.95338	0.5
130.12294	1.5
131.12604	0.8
133.08664	0.6
147.10109	3.5
155.17952	6.0
165.11209	0.5
175.13319	0.8
205.14383	2.2
213.20230	1.1
213.22157	14.5
223.15387	1.3
233.17520	0.5
254.24805	1.7
263.18460	0.8
271.26337	19.0
281.19534	1.1
284.29492	100.0
285.29822	94.5
287.25964	0.7
311.29517	0.9
321.22739	0.6
329.30487	2.3
451.69910	0.5
551.44843	1.9
568.48199	0.7
568.56329	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	568.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.8
57.03431	3.0
57.07079	100.0
59.05005	44.9
69.07049	3.1
69.43432	6.0
71.08636	78.0
72.07748	0.9
73.02923	27.8
77.48195	0.9
77.92699	1.0
80.51842	1.1
81.07016	1.6
83.08611	3.8
85.10189	67.9
87.04468	2.9
87.08077	1.5
89.06041	5.1
95.08563	1.2
97.10161	4.1
97.53647	1.0
99.11145	1.2
99.11745	11.6
101.05978	1.3
101.09644	3.9
103.07620	2.0
111.11704	1.2
113.13297	4.8
114.49517	1.0
117.05503	1.3
117.09139	14.0
127.14791	1.2
133.08591	1.9
141.16441	1.1
155.17952	11.1
185.19002	3.5
195.12292	1.9
205.10725	6.6
213.22144	16.7
223.11751	1.4
236.91096	1.2
243.23268	6.7
253.16426	1.2
257.24777	2.2
271.26312	18.9
281.15982	1.4
284.29376	2.2
301.27423	2.3
311.29391	2.5
312.32642	1.3
339.20096	1.0
456.05109	1.1
568.44073	7.4
568.56805	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	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.3
53.03938	3.7
55.05264	0.9
55.05511	11.6
57.07083	6.2
59.04993	1.7
65.03938	3.2
67.05503	17.3
69.03418	1.7
69.07072	11.9
69.55079	6.4
71.04982	1.6
71.08619	2.0
74.97370	0.8
77.03931	1.9
78.04721	0.9
79.05496	27.5
80.06274	3.1
81.07058	30.9
83.04963	3.5
83.08614	5.2
84.68849	0.9
85.06528	3.6
85.10178	1.9
91.05482	45.2
92.06265	3.1
93.07045	49.6
94.07811	1.3
95.04973	37.6
95.08608	26.2
97.06538	3.5
103.05469	3.5
105.04516	2.0
105.07032	84.1
106.07864	4.4
107.04926	1.1
107.08596	45.6
108.09370	2.6
109.06490	4.8
109.10155	17.8
111.08076	1.9
115.05445	4.9
116.06239	2.4
117.07018	26.5
118.07783	3.4
119.08581	100.0
120.09391	8.3
121.06532	1.5
121.10143	31.1
122.10918	1.6
123.08072	15.3
123.11729	6.1
125.09629	2.4
128.06192	9.2
129.07002	18.5
129.07921	1.6
130.07784	10.4
131.08575	50.1
132.09354	9.6
133.10135	55.9
134.10930	6.6
135.08073	5.2
135.11687	17.2
137.09621	5.9
138.10410	10.1
139.11197	1.6
141.06987	5.7
142.07776	19.2
143.08566	45.5
144.09354	15.6
145.10126	85.5
146.10930	6.2
147.08041	2.7
147.11696	25.5
148.12425	1.9
149.09613	3.7
149.13277	3.8
151.11194	3.3
153.07013	3.8
154.07741	3.0
155.08554	18.1
156.09343	19.8
157.10133	49.7
158.10922	11.1
159.08009	1.6
159.11700	41.3
159.13036	2.0
160.12473	4.2
161.09618	5.9
161.13257	7.3
163.11183	3.0
163.14879	1.6
165.07010	5.4
165.12781	1.0
166.07829	3.5
167.08531	7.8
168.09341	6.0
169.10135	28.2
170.10904	9.6
171.11687	33.8
172.12460	5.0
173.13269	28.7
174.13989	1.5
175.11195	1.5
175.14833	18.8
177.11423	0.9
177.12733	5.8
179.08554	10.6
180.09354	3.6
181.10130	17.2
182.10918	9.2
183.11696	26.4
184.12436	4.0
185.13268	22.9
186.14041	5.2
187.11290	1.8
187.14827	14.3
189.12759	4.0
189.16397	1.9
191.14307	11.0
192.09378	2.9
192.15083	2.0
193.10141	9.6
193.15889	1.3
194.10909	8.5
195.11705	17.1
196.12459	9.3
197.13257	27.8
198.14017	6.1
199.10973	1.4
199.14815	11.0
200.15691	2.0
201.12735	2.5
201.16371	8.4
203.14288	2.1
204.15129	1.3
205.10162	1.7
205.15944	1.6
206.10956	2.5
207.11728	10.2
208.12547	4.5
209.13258	25.0
210.14053	2.7
211.14809	18.4
212.15656	2.0
213.16389	5.0
215.14276	1.4
217.15848	4.6
219.11726	2.4
219.17455	1.9
220.12515	3.4
221.13271	8.0
222.14064	2.3
223.14799	10.8
224.15623	4.4
225.16408	8.3
226.17075	1.7
227.14409	1.2
227.17990	2.8
229.15961	1.2
231.11629	2.2
231.17520	2.1
232.12567	1.9
232.18338	1.0
233.13261	3.8
234.13969	2.4
235.14803	7.0
236.15773	1.0
237.16362	8.8
238.17215	1.5
239.17949	5.6
241.15923	1.5
241.19530	2.5
245.13307	2.2
246.14156	1.1
246.19908	1.3
247.14871	2.2
248.15836	1.1
249.16368	5.3
251.18051	3.0
252.18741	1.1
253.19569	2.1
255.17509	2.6
257.19037	2.1
259.14951	1.4
259.20602	3.3
261.16422	3.5
262.17148	1.0
263.17923	5.2
264.18723	1.4
265.19443	4.6
267.21085	1.8
269.19046	1.5
270.19714	1.2
271.20660	2.1
272.21402	1.6
273.16354	1.8
275.17966	3.5
276.18814	1.1
277.19501	3.7
278.20157	1.3
279.21234	1.5
281.18951	1.1
283.20508	4.4
284.21588	1.3
284.29565	1.4
285.22174	3.0
291.21017	2.2
293.19037	1.2
296.21396	2.2
297.22095	2.7
305.22562	2.5
308.21738	0.9
309.72198	1.0
311.29614	1.6
317.22546	0.9
320.24924	1.5
323.23712	6.0
324.24466	2.5
329.22589	1.4
337.25244	2.8
338.26025	43.1
343.66391	1.0
349.25336	2.2
351.26691	1.7
362.25974	1.4
375.26852	1.4
415.29691	1.6
420.30295	2.7
430.32294	18.1
431.33176	1.3
458.35156	2.2
476.36478	24.5
550.41931	1.2
568.42719	41.7
568.56708	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	568.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03457	0.3
56.05023	0.9
56.59607	0.3
57.05809	0.4
58.06579	0.5
60.04523	1.5
69.07066	8.0
69.38999	2.9
70.04868	0.4
70.06594	2.1
75.05601	1.7
82.05310	0.6
83.06100	3.8
84.04498	1.0
86.09705	100.0
93.04531	2.4
93.14803	0.4
95.06108	3.3
98.21507	0.8
103.71438	0.3
110.07163	61.7
112.03963	9.5
116.10828	0.3
121.02899	0.8
130.05029	0.6
130.06546	0.3
137.06096	0.4
138.06641	0.5
139.05077	0.9
141.06570	0.8
143.11800	8.3
154.97659	0.3
155.80707	0.3
156.07687	72.3
157.07645	0.7
157.09686	0.5
158.06032	0.4
159.09224	0.5
166.06129	1.3
169.06076	4.5
171.11308	0.3
175.08743	0.5
175.44936	0.3
177.05640	0.4
177.52551	0.3
178.13361	0.5
187.07217	0.9
223.15591	0.9
230.58240	0.4
234.12437	0.5
251.15001	2.5
254.14980	3.0
269.16077	16.7
272.16049	6.9
282.14697	0.4
298.06744	0.4
300.15546	19.2
340.07968	0.4
366.14545	1.0
405.41281	0.4
413.23975	3.6
439.26743	1.0
468.27121	0.4
481.20718	0.4
532.28839	0.5
546.27094	0.3
550.30096	2.2
568.30914	50.0
587.01306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	3.2
53.69758	3.1
55.01868	6.8
55.05510	14.5
57.07076	6.1
65.03929	3.2
67.05505	28.1
67.41541	2.2
69.07075	19.3
69.26503	23.5
70.06575	3.1
71.01350	14.2
71.04999	6.2
75.04481	3.1
79.05494	21.8
81.03443	4.1
81.07060	68.3
83.08620	11.9
85.02919	22.9
86.09698	7.5
91.05492	25.8
93.07050	46.8
95.04972	4.5
95.08614	100.0
97.02895	3.2
97.06534	7.8
97.10188	7.4
98.21536	6.7
98.97588	3.9
101.02374	29.7
103.05474	2.8
105.07034	47.5
107.08598	64.2
109.02850	4.4
109.10154	57.0
111.08056	4.4
115.05418	3.3
117.07008	8.5
119.04819	2.8
119.07791	5.4
119.08580	56.9
121.09314	4.2
121.10144	49.9
123.08077	4.7
123.11732	21.9
125.00026	6.2
125.09617	6.7
127.03920	49.2
131.08585	19.4
131.96417	3.0
133.10123	36.1
135.11688	31.2
137.05972	4.7
137.13266	22.8
143.08557	7.1
144.09328	3.5
145.04993	37.4
145.10106	34.7
147.11693	33.9
149.13274	29.8
155.01921	3.7
157.10155	9.5
159.11690	50.9
161.13271	23.6
163.14815	12.6
171.11668	6.8
173.02963	4.1
173.13254	30.9
173.42552	2.9
175.14856	14.5
177.12714	3.5
177.16389	22.4
183.11670	3.2
184.07350	22.0
185.03146	4.1
185.13252	7.3
187.14767	13.7
189.12703	3.9
189.16400	32.2
191.14270	4.5
191.17964	49.1
193.15898	7.9
197.13222	3.8
198.71381	2.7
199.14813	4.0
201.16464	15.2
203.14278	3.3
203.17963	12.3
205.15892	7.7
205.19638	14.2
211.28694	2.7
213.16420	6.0
215.17975	40.1
217.15981	5.1
217.19501	11.9
219.17482	12.0
219.21089	3.3
227.17934	5.5
228.58478	2.7
229.19423	5.5
231.17500	4.5
231.21057	6.3
233.19016	62.4
243.17421	7.1
245.05106	17.0
245.19008	9.9
245.22542	4.6
255.06654	3.1
255.21051	4.1
257.05127	3.2
260.98932	2.9
263.06421	4.1
269.22824	3.2
273.22104	5.2
287.23630	4.6
319.05130	5.7
405.35034	6.8
423.36197	81.7
465.10941	6.3
525.12427	3.1
558.26227	3.3
567.12927	6.6
567.28864	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	567.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
53.41333	2.9
55.01857	5.6
55.05507	17.4
56.96577	4.5
56.96901	2.9
57.03434	4.7
57.07058	9.0
61.02926	5.7
62.37619	2.8
65.00871	2.7
66.71325	3.1
67.05502	35.2
69.03413	4.7
69.07068	28.0
70.06592	3.6
71.01356	14.4
71.04990	4.6
71.55348	3.2
74.39304	2.5
75.04478	4.0
75.26604	2.8
75.83130	2.8
79.05500	21.2
81.03412	7.5
81.07059	70.9
82.07350	3.2
83.04990	3.3
83.08617	16.6
85.02915	25.2
88.93110	2.9
91.05473	16.3
93.06554	4.2
93.07057	45.4
95.04972	5.3
95.08611	100.0
97.02901	4.1
97.06551	6.8
97.10179	7.4
101.02377	29.6
103.05468	3.1
105.01859	3.7
105.07024	45.3
107.08598	59.8
109.02844	3.9
109.10157	62.0
111.08112	3.3
111.11709	6.0
117.07005	10.1
119.08591	47.1
120.08066	3.9
121.10155	49.4
123.11701	18.1
125.09611	4.9
127.03108	3.7
127.03940	55.3
129.07013	4.9
131.08545	21.0
133.10130	35.7
135.11693	33.8
137.05974	4.9
137.13272	25.6
140.69189	2.9
143.08546	6.1
145.04973	31.0
145.07655	3.5
145.10149	30.4
147.11694	26.9
149.13264	26.8
157.10112	10.5
159.11691	44.3
161.13254	21.4
163.14821	13.6
169.10194	4.1
171.11714	8.0
173.12012	4.0
173.13260	20.9
175.14836	28.8
177.16403	24.4
179.14319	4.1
183.11705	3.3
184.07324	4.4
185.13229	6.0
187.14848	14.7
189.16386	31.3
191.14230	5.9
191.17949	56.2
192.18327	3.4
193.15868	7.2
199.14880	3.6
201.16367	13.1
203.17981	9.9
205.15788	8.3
205.19525	12.4
213.16339	5.9
215.17964	36.9
217.19530	11.7
219.17407	17.6
227.17963	6.0
229.19415	6.8
231.17485	6.6
231.21071	8.3
233.18982	64.5
238.14268	3.0
245.19067	11.5
245.22871	3.0
247.24211	4.3
248.24539	9.6
255.21265	4.1
266.25607	4.6
269.10699	3.6
273.22159	8.4
281.22583	4.0
285.22211	3.7
405.34955	9.4
423.36209	85.0
567.12775	6.8
567.27228	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	567.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.9
55.01871	8.3
55.05516	19.6
57.03405	5.3
57.07057	8.4
58.87954	3.1
61.02922	6.7
67.05506	26.3
67.05811	4.4
69.03434	23.6
69.07079	32.5
70.06587	3.7
71.04985	5.0
71.57146	4.3
73.02916	4.5
79.05492	13.8
81.03414	24.3
81.07062	100.0
83.01398	3.3
83.08613	16.5
84.08140	3.2
85.02915	43.1
85.06545	81.1
86.09720	5.4
87.00835	20.9
89.60961	3.3
90.04245	3.8
91.05484	10.2
93.07030	9.8
93.08506	3.6
95.08616	61.3
97.02903	24.5
97.06496	3.9
97.10186	8.6
99.04472	5.4
99.08099	4.7
103.05498	5.2
105.01886	21.7
105.07024	12.4
107.04956	8.5
107.08567	11.6
109.02888	24.3
109.06513	3.5
109.10164	39.2
111.04440	8.0
111.11726	9.9
113.09638	34.6
119.08623	5.0
121.02824	3.5
121.06524	5.2
121.10142	11.0
123.11734	18.4
127.03917	46.3
129.12749	8.2
133.10118	5.9
135.04416	13.0
135.08028	4.0
135.11688	15.6
137.05991	15.4
137.13251	33.9
145.04962	5.8
149.13283	9.6
151.07480	3.5
151.14822	8.7
155.14331	7.7
159.02876	4.3
163.14821	7.6
165.12759	5.4
165.16406	4.4
167.07025	9.1
173.15407	7.9
177.05507	5.9
177.16380	5.4
179.12299	3.7
181.04881	4.5
181.08649	6.9
184.07341	6.6
191.17978	7.8
210.14929	4.7
213.03870	6.2
229.93776	3.4
231.04993	20.3
247.24286	18.2
251.64920	3.6
255.06244	4.0
265.25339	26.6
283.06036	5.8
283.09741	5.8
283.26288	34.8
284.09897	5.0
297.70557	3.9
301.27411	13.9
385.18469	8.3
403.19730	8.5
412.32437	4.8
420.07242	3.4
567.27423	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15477	0.7
68.18575	0.9
71.21056	0.8
71.55634	1.3
95.04398	0.8
96.84279	0.8
98.97584	3.4
116.98631	1.4
124.72184	0.8
149.70273	0.8
160.76851	0.8
168.87704	0.7
214.95688	0.8
216.98926	2.2
222.97902	1.5
232.96680	1.9
233.96838	1.1
234.96555	1.0
235.00026	4.3
240.80258	0.7
240.98926	8.2
244.41879	0.8
250.97804	1.2
256.96732	4.8
257.96829	1.2
258.96658	2.4
258.99994	30.6
260.00037	1.6
260.39893	0.7
260.99985	2.4
261.03046	1.1
264.98831	4.0
274.97723	6.5
275.97858	1.1
276.97629	4.9
277.01050	17.5
278.01141	1.4
279.00830	1.2
283.00006	97.4
284.00122	4.9
284.99854	4.1
292.98846	1.8
298.97806	8.5
299.97906	2.1
300.97748	7.0
301.01050	100.0
302.01212	5.1
303.01059	5.7
316.95563	1.0
316.98843	12.7
317.98932	2.8
318.98596	5.8
319.02213	4.1
324.02634	2.6
358.96509	1.3
359.00266	2.1
364.98941	1.2
383.00177	3.4
398.94849	1.4
401.01422	11.8
402.01251	2.2
403.00525	1.0
407.00058	3.8
416.99316	1.3
418.98965	3.9
425.01242	31.7
427.01117	1.7
440.98639	3.0
441.98950	1.4
443.02536	55.4
444.02615	3.5
445.02298	2.5
458.99902	2.4
460.99722	5.2
466.04141	2.5
482.96976	1.3
500.98016	3.5
525.00452	2.6
536.99286	1.5
542.98840	3.5
543.98285	1.2
545.99402	1.5
549.01331	42.6
550.00946	1.1
555.22742	1.0
567.02545	57.6
568.01605	1.1
585.00171	9.7
590.03613	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	565.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01857	2.7
55.05516	30.7
57.03449	13.5
57.07079	19.8
59.05000	17.7
59.57983	1.8
65.03939	6.0
67.05506	80.1
69.07069	45.4
69.21152	18.0
71.04974	7.2
71.08633	26.6
73.06548	3.2
79.05495	37.6
81.07056	100.0
81.18351	1.9
83.04982	9.9
83.08617	37.8
85.06525	6.5
85.10170	15.7
87.04478	5.8
89.06045	19.7
91.05484	29.5
93.07044	68.6
95.04955	6.6
95.08606	69.8
97.06525	19.3
97.10165	9.7
98.21511	4.7
101.05994	3.0
105.07031	34.1
107.07873	3.5
107.08592	52.3
109.06496	2.5
109.10163	39.4
111.08089	14.1
113.09586	2.1
115.07575	2.9
117.07027	8.7
117.09129	3.1
119.08579	30.4
121.10146	46.5
123.08090	5.2
123.11693	15.7
125.09624	4.1
125.13235	3.5
128.06163	2.8
129.07031	4.7
131.08578	19.9
133.08601	16.1
133.10135	20.7
135.08073	3.6
135.11708	21.6
137.09555	3.2
137.13229	3.9
141.06943	3.0
142.07774	7.8
143.08554	10.8
145.10115	20.8
147.08049	3.5
147.11739	11.8
149.13263	56.2
151.14862	2.3
156.09328	5.4
157.10152	11.4
159.11681	23.8
161.13271	9.1
163.11232	3.7
163.14757	4.1
165.06985	2.5
165.09103	8.3
167.10686	2.8
167.14325	18.8
169.10156	7.4
171.11687	9.2
173.13312	12.1
175.14769	2.5
177.11243	4.1
177.12709	3.0
181.10176	5.2
181.12213	3.7
183.11699	7.3
185.13266	6.5
187.14832	5.6
191.14340	2.9
193.10153	3.5
195.11658	5.6
195.13773	2.6
197.13271	7.0
199.14851	3.7
201.16328	4.3
203.14389	3.4
205.10242	2.7
207.11852	3.1
208.12425	3.0
209.13261	6.8
211.14746	3.4
213.16476	2.8
221.13397	5.2
221.15379	14.3
231.11765	2.1
231.15916	56.9
231.44696	2.2
233.13356	2.8
235.14735	2.4
237.16267	3.7
243.21078	9.5
251.17464	2.1
261.22141	40.8
269.17484	69.8
279.23251	8.0
282.28021	2.4
287.18509	81.0
289.19516	2.4
310.31104	2.6
317.24750	10.6
321.07471	2.8
325.07059	3.8
331.24332	2.4
333.07492	2.4
335.25778	59.2
337.49915	2.5
353.26706	2.4
379.08124	4.3
455.35132	2.5
473.35312	5.1
529.38489	7.1
547.39844	35.0
565.40515	65.3
565.54333	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	566.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.05518	18.1
57.03433	3.5
57.07079	12.8
59.04995	2.9
61.02938	1.6
67.04959	1.2
67.05506	21.0
69.03429	6.5
69.07072	45.8
71.05013	6.6
71.08618	4.2
71.56752	2.1
79.05490	10.9
81.03417	2.8
81.07059	70.3
83.04931	1.6
83.08144	2.0
83.08623	35.2
85.02913	16.0
85.06535	1.7
86.23005	1.0
87.00822	5.8
91.05465	5.7
93.07053	23.2
95.04943	1.4
95.08613	91.0
97.02881	5.3
97.10173	17.8
99.04461	1.9
99.08088	3.2
101.09585	1.3
105.01868	12.3
105.07043	4.0
107.08595	20.4
109.02869	3.8
109.10165	69.3
111.11733	9.1
113.09645	7.7
119.08562	2.4
121.10149	40.0
123.11732	24.3
125.13251	2.7
127.03939	11.1
127.11156	2.4
130.34285	1.1
135.11700	30.3
137.12320	1.8
137.13275	25.2
139.11195	4.2
139.14847	1.3
145.04939	3.7
147.11610	1.2
149.13255	17.9
151.14851	11.8
155.14326	1.8
159.02890	1.9
163.14835	18.6
165.16403	14.8
177.16417	13.8
179.17920	1.1
183.17441	7.0
184.07274	1.5
191.17958	16.6
205.19574	1.7
207.21072	1.5
231.05014	2.0
247.24226	77.6
248.24477	1.3
249.06070	3.4
265.25281	100.0
283.26324	23.7
288.04721	1.3
326.07617	1.6
477.28503	1.6
500.12799	1.5
512.12329	1.4
530.13361	1.9
566.19006	1.7
566.37195	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	565.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95187	0.5
57.03410	1.0
58.18062	0.5
61.34285	0.6
66.44569	0.5
69.03435	3.7
70.01088	2.0
70.01505	0.8
79.41660	0.5
81.03416	3.4
85.02914	4.4
87.04457	1.4
91.05430	0.9
93.05779	1.0
97.02905	5.4
98.20724	0.6
99.04444	1.3
99.05019	0.5
104.04951	0.7
106.06524	1.6
108.08137	3.0
109.02843	1.8
122.06049	0.8
127.03922	3.4
130.06532	10.7
136.07581	6.4
153.06818	0.5
154.06537	1.1
165.06992	0.7
167.07217	1.0
167.08571	0.9
168.08060	2.8
180.08090	2.1
180.36269	0.6
181.08934	1.4
183.09155	1.2
187.08678	1.2
191.07220	1.1
192.06622	0.8
192.08113	3.2
193.07385	3.0
193.09053	1.2
194.08098	0.5
194.09689	9.7
195.09138	1.3
203.07329	0.8
204.08119	9.3
205.07498	3.3
206.08331	13.0
206.11670	1.3
207.09184	100.0
208.09940	3.8
211.08644	1.3
215.08163	0.7
219.09167	6.0
220.09969	6.3
221.10745	92.9
222.11485	6.1
223.12317	18.3
237.10277	0.9
238.10956	0.8
239.11803	27.9
247.08798	0.7
248.09445	0.7
249.10263	17.6
250.14445	1.2
252.08923	2.6
253.13306	2.1
254.10687	2.8
265.09827	0.8
267.11301	56.2
268.11932	1.2
281.12909	3.7
283.06088	0.6
285.12549	1.2
289.74680	0.6
299.13998	8.7
309.12341	1.4
316.02951	0.6
375.13480	1.5
393.14459	42.3
411.10004	1.0
411.15530	21.2
425.17139	18.8
443.18164	6.3
487.37128	0.6
533.21332	38.0
534.22217	0.8
565.23993	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	565.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58563	0.3
52.88021	0.3
52.89519	0.3
53.03923	0.7
55.01876	0.3
55.18709	0.3
56.96566	0.4
65.03938	0.7
67.05509	1.0
68.99791	1.2
69.03432	0.7
69.27235	2.6
71.61348	0.3
74.84840	0.3
79.05489	0.7
81.03432	3.7
83.04980	2.4
85.02908	1.7
89.10223	0.3
91.05490	2.7
95.04989	2.4
97.02906	0.4
99.04470	0.3
105.01870	0.4
105.04508	0.4
105.07032	0.6
107.04961	0.5
109.02872	2.1
111.00800	0.4
119.04889	0.5
121.02900	0.4
121.06516	11.7
123.04437	20.0
123.17938	0.3
127.03928	0.9
135.08101	0.9
136.05247	0.5
137.05974	1.5
138.06700	0.4
139.07544	5.0
145.04915	0.4
149.02374	0.5
149.05983	2.1
149.07098	0.7
149.09595	0.3
151.03920	60.3
151.07547	100.0
152.04260	0.3
153.01817	2.7
159.02963	0.5
163.03938	1.5
163.07559	1.9
164.08318	1.8
167.07025	1.3
173.65399	0.3
177.09111	1.8
179.03400	10.7
193.05116	0.4
205.08646	1.0
229.08533	0.6
241.11203	0.3
247.09541	0.4
257.08026	0.6
259.12399	0.3
269.08319	0.4
271.09607	0.5
289.10715	4.3
295.05814	0.5
299.09134	2.1
307.06134	0.3
317.10202	69.4
318.10510	0.4
321.07785	0.5
325.07092	0.8
335.09100	0.3
337.06894	0.5
349.07193	0.6
361.06906	0.5
379.07947	0.6
391.08255	0.5
409.09235	0.5
427.09756	0.9
499.12180	0.5
511.12384	0.3
529.13702	0.6
565.19354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01864	1.0
55.05510	0.5
56.96574	0.5
57.03421	1.2
61.02908	1.3
65.03925	0.4
67.05487	1.3
68.99780	0.9
69.03426	4.7
69.07062	0.9
69.47926	2.5
70.06581	0.7
71.04998	0.7
73.02895	1.0
77.03899	0.5
79.05495	1.8
81.03420	4.3
81.07043	1.7
83.08614	0.5
85.02422	0.6
85.02907	8.3
87.00832	2.6
91.03933	0.5
91.05463	1.8
93.07042	1.3
94.04200	0.4
95.04964	0.9
95.08588	0.6
97.02886	2.3
97.06538	0.6
98.97602	0.9
99.04442	1.9
103.05430	0.6
105.01864	1.5
105.03400	0.6
105.04521	0.6
105.07050	0.8
107.04955	8.7
107.08578	0.7
108.08066	0.4
109.02866	3.4
109.06519	2.4
109.10127	0.5
117.01843	0.4
119.08588	0.7
121.02832	1.1
121.06536	2.3
121.10110	0.5
121.86367	0.3
122.03663	0.5
123.04446	2.5
125.05992	2.6
127.03910	5.6
133.06459	0.4
135.04413	1.9
135.05559	1.6
137.05974	59.9
140.98349	0.4
145.04951	1.6
145.10065	0.4
147.11636	0.4
149.02312	0.3
149.05989	3.2
150.06749	0.9
151.03882	0.4
151.07539	0.7
153.05493	2.2
155.15636	0.3
157.10049	0.4
159.02904	2.3
161.06006	0.4
163.03993	0.6
163.07530	0.5
165.05472	78.0
166.05925	0.4
167.03386	3.5
167.07036	0.5
177.05455	2.5
181.04980	1.1
191.07068	0.6
193.04973	13.2
229.08604	0.8
231.05028	1.2
255.06540	0.4
256.07214	0.5
257.08035	0.5
271.09390	0.7
283.06137	0.4
289.10788	2.6
294.05334	0.9
295.06021	1.8
299.09091	2.6
307.06085	1.2
308.06674	0.7
309.07626	0.4
317.10184	100.0
318.10522	0.8
321.07639	1.6
322.08716	0.4
325.07214	1.8
337.06982	1.3
349.07245	0.9
349.23700	0.7
351.08658	1.0
355.07831	0.4
359.11273	1.5
361.06757	0.6
363.08582	0.5
379.08127	2.0
379.46335	0.4
385.33734	0.4
391.08102	1.4
397.09317	0.6
409.09180	1.2
415.09573	0.6
427.10303	1.9
445.11032	0.9
451.10382	0.5
457.11304	0.6
469.10941	0.6
475.11404	0.4
481.11337	1.8
493.10925	0.5
495.95239	0.4
499.12476	1.1
511.12411	0.8
529.13300	1.8
547.14423	0.7
565.15173	1.0
565.25580	1.1
565.34045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.0
56.05050	4.1
57.03437	4.3
61.02918	2.7
65.03934	2.6
68.99812	2.4
69.03427	5.9
70.06593	37.9
71.06924	2.1
72.08151	5.5
73.02916	4.8
73.06564	1.6
74.06112	1.9
79.05484	3.0
81.03407	5.5
83.04971	1.6
84.04510	3.1
84.08151	13.6
85.02907	8.1
86.09701	7.1
91.05479	8.0
93.07053	3.3
95.04934	2.5
97.02899	4.0
97.06540	2.9
98.21535	4.2
105.07053	2.9
107.04946	7.2
107.90063	1.7
119.04939	12.9
121.02875	41.2
121.06506	4.3
125.06073	2.1
127.03904	2.6
129.10258	5.1
131.04921	3.3
133.02820	1.9
135.04440	3.2
136.07594	8.9
137.02335	2.3
137.06003	13.5
145.02850	5.5
145.10129	2.2
147.04321	2.8
149.05969	4.0
151.03934	1.8
153.01865	2.9
153.05505	2.5
161.02386	2.8
161.06010	2.9
163.03867	4.4
164.07072	4.8
165.01952	2.0
165.05482	11.8
173.05830	2.1
173.09456	2.5
175.07477	2.0
177.01889	3.3
177.05486	3.8
178.05008	1.8
179.03435	4.3
187.03964	2.8
189.01869	10.4
189.05527	2.2
191.03424	5.7
193.04922	9.6
195.02901	6.2
197.04337	1.7
201.05511	3.5
203.03438	15.5
205.04953	3.0
207.02937	9.9
213.05441	5.5
215.03441	8.2
217.04858	6.2
217.08188	2.6
219.02994	5.0
221.04449	6.2
221.08214	1.9
227.03419	4.7
227.06902	2.8
229.04941	9.1
231.03023	3.3
233.04518	4.7
233.11763	2.0
241.04910	3.0
243.02968	4.6
243.08833	2.8
244.09654	4.0
245.04588	3.0
255.02733	2.4
255.03799	2.1
255.06531	24.2
257.04480	4.9
261.03973	2.9
267.06573	5.3
268.07379	4.6
271.06168	3.0
273.03897	3.6
279.06491	6.8
280.07074	2.7
281.08160	4.8
282.05118	2.3
283.06015	29.3
284.06714	3.5
291.06598	2.0
292.07166	2.1
293.08011	5.6
294.05225	19.6
295.06012	97.3
296.06857	6.3
297.07443	9.4
305.08127	2.7
306.08942	1.9
307.06027	66.7
308.06830	14.2
309.04022	3.6
309.07513	31.5
311.05499	4.7
311.08884	2.0
312.06345	2.8
313.07089	19.5
317.06613	22.5
317.10233	22.3
319.06073	7.8
319.09579	2.1
320.06900	8.6
321.07568	46.4
322.04657	3.0
322.08301	7.7
323.05386	5.7
323.09128	9.8
324.06183	3.1
325.07062	70.9
326.07309	2.4
329.07837	3.2
333.07565	29.3
334.08188	3.9
335.05457	5.1
335.09146	18.3
336.06262	7.0
337.07086	53.1
339.08618	4.3
341.06458	3.0
345.07498	7.0
346.08154	2.3
347.05460	2.8
347.09137	11.4
349.07080	57.9
349.10764	3.3
350.07874	4.9
351.08640	24.6
353.06647	4.3
355.08032	7.5
357.07468	2.1
359.09088	4.1
361.07025	33.8
361.11148	2.1
362.07706	2.2
363.08585	21.4
365.06598	4.8
365.10364	4.4
367.08084	18.2
373.06891	10.1
375.08649	14.0
377.06323	5.5
379.08115	74.8
385.07193	2.1
387.08765	6.1
389.10184	6.2
391.08124	53.2
393.09573	7.3
395.07443	3.6
397.09192	28.4
401.10211	5.3
403.08115	11.0
405.09650	6.3
407.07639	7.2
409.09186	45.4
415.10294	14.7
417.10062	2.9
419.11426	5.4
421.09186	18.7
425.08505	5.3
427.10309	49.1
429.09561	4.5
431.08231	2.2
433.09140	12.4
435.10910	2.4
437.08167	2.2
439.10352	21.1
443.09595	4.5
445.10895	14.1
447.10458	4.2
451.10281	10.5
457.11389	20.8
463.10068	11.9
465.11777	4.6
469.11285	17.4
475.10382	14.8
481.11386	40.2
493.04596	3.5
493.11337	51.4
499.12344	30.6
511.12405	100.0
529.13489	97.4
547.14368	35.7
565.15100	7.1
565.23462	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	565.1552
Annotation	Isomollupentin 2''-O-glucoside
Peak:m/z	Relative Intensity
58.01978	2.2
69.75497	13.8
85.02898	4.1
86.38569	2.2
96.20535	2.6
98.20670	3.1
107.04982	2.2
109.02920	3.5
119.04946	8.0
121.02867	34.5
142.45000	2.3
144.47044	3.1
145.02841	3.8
159.04384	3.7
177.01909	3.3
179.03369	5.5
187.03987	3.9
189.01848	7.5
191.03471	4.9
195.02861	5.2
199.03871	2.3
201.05357	3.2
203.03441	15.5
207.02910	4.4
215.03479	4.8
217.05133	4.6
219.02757	4.2
227.03426	4.7
229.04976	3.3
243.02988	3.2
255.02837	4.4
257.04779	2.7
261.09299	2.4
267.06512	3.4
268.07364	4.7
279.06528	4.4
281.08151	5.2
283.06006	9.6
291.06580	2.7
293.08163	3.9
294.05246	16.0
295.06012	87.2
296.06815	5.8
297.07526	8.1
307.06036	55.4
307.09518	5.3
308.06763	17.9
309.07556	18.4
313.07083	5.6
317.08142	5.1
319.05997	6.4
320.06848	5.4
321.07587	40.5
322.08258	11.6
323.05475	3.2
323.08997	6.3
325.07077	70.0
333.07632	24.3
334.08353	3.9
335.09204	15.4
336.06259	4.7
337.07065	56.6
345.07858	3.3
347.09119	11.8
349.07071	55.6
350.07806	3.4
351.08713	23.0
355.08084	7.7
361.07068	28.6
363.08527	13.2
365.10101	6.5
367.08176	9.2
373.07053	5.3
375.08627	15.9
379.08124	100.0
385.07095	3.5
387.08801	5.1
389.10266	3.9
391.08160	38.7
397.09225	56.2
399.08627	3.5
401.10223	5.0
403.08020	21.5
405.09668	7.1
409.09210	47.2
415.10376	23.7
417.09622	3.3
419.11240	6.3
421.09152	19.2
427.10349	47.9
429.09824	3.6
433.09293	19.3
439.10168	18.9
445.11389	45.3
451.10416	31.9
457.11353	45.6
463.10233	8.4
469.11377	53.7
475.10190	15.5
481.11356	53.7
493.11328	36.7
499.05890	4.0
499.12439	47.1
511.12433	64.0
527.02496	2.9
529.13452	76.1
547.14539	52.0
565.15680	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	564.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03744	0.4
59.04993	0.6
61.02914	0.5
69.03432	0.5
73.02911	0.7
73.06563	1.4
79.96690	0.5
83.21737	0.5
85.02911	0.7
87.04476	9.6
87.47041	0.4
89.06034	100.0
91.07584	0.8
107.07080	1.6
110.44219	0.4
117.09164	0.6
128.75026	0.4
130.08650	0.7
131.07043	3.3
133.08607	64.8
164.07062	7.9
175.09637	2.7
177.11229	27.4
219.12431	0.5
221.13837	6.0
239.14919	0.8
246.14975	0.7
259.46014	0.4
265.16409	1.8
283.17474	1.6
295.06104	1.0
309.19064	1.2
321.07327	0.5
327.20120	0.7
353.21634	1.3
377.86490	0.5
415.25769	0.6
459.27734	0.9
503.30170	0.6
529.13824	0.5
547.25519	0.8
547.33203	10.8
564.20441	2.6
564.35492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3685
Annotation	Talaroconvolutin D
Peak:m/z	Relative Intensity
53.03942	1.6
55.05506	0.7
57.03445	0.5
59.23403	0.4
61.02919	0.6
64.23364	0.4
67.05500	0.9
69.07068	0.7
71.15166	0.4
71.56682	0.4
79.05493	7.4
81.07045	1.4
85.02909	0.9
87.11002	0.4
87.61555	0.3
91.05489	0.8
93.07059	1.0
95.05004	2.1
95.08598	0.6
97.02870	0.6
97.06560	0.4
103.05477	5.6
105.07037	61.9
107.08611	0.8
118.06548	0.7
121.02888	0.4
135.11717	0.6
137.05927	0.4
137.77594	0.5
152.44814	0.4
184.07321	0.7
199.52332	0.4
201.09723	0.4
250.16096	0.5
255.15944	0.5
307.06110	0.6
325.07477	0.6
340.26544	0.8
367.24948	0.9
368.25949	2.2
386.26895	1.2
407.17490	0.4
414.09900	0.5
416.12167	0.4
427.10611	0.5
444.10773	0.9
449.24081	0.4
450.38345	0.4
460.30618	0.6
468.10770	0.6
478.33163	0.6
481.10703	0.4
508.34247	4.8
564.36865	100.0
565.37335	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24722	2.1
51.68901	2.0
53.03940	5.3
55.01870	9.7
55.05515	22.5
57.03445	18.8
61.02911	8.6
65.03949	2.4
66.22736	2.2
67.05507	63.8
69.03426	12.3
69.07073	29.3
69.25673	13.7
69.26099	7.1
71.04984	7.0
73.02898	2.9
79.05495	48.5
81.03428	12.5
81.07061	89.1
83.04985	11.6
83.08613	15.8
84.08139	2.5
85.02902	18.7
85.06545	4.2
89.06028	2.2
91.03938	5.6
91.05483	40.3
93.06486	3.9
93.07050	61.2
95.04967	11.7
95.08609	28.3
95.24331	2.4
95.93858	2.4
97.02911	8.1
97.06528	21.7
97.10162	7.1
99.04424	3.7
99.08112	4.1
103.05482	2.3
105.07031	30.4
107.04965	8.8
107.08598	39.5
109.02894	2.9
109.06498	8.3
109.10186	12.7
111.08080	6.4
117.07029	15.7
119.08591	24.6
121.02888	4.7
121.06503	5.8
121.10149	14.4
123.08069	3.4
123.11684	4.6
125.09669	5.0
127.03915	7.6
129.07016	3.8
131.04912	3.1
131.08589	18.5
133.10117	27.8
133.23331	2.2
134.60747	2.2
135.08090	4.9
135.11682	24.6
137.05984	3.0
141.06973	2.8
143.08534	3.8
145.04958	3.2
145.10141	20.9
147.08092	2.7
147.11691	10.3
149.09602	15.1
149.13251	15.9
151.11180	3.9
157.10141	6.0
159.11716	28.3
161.13281	6.6
163.11194	11.0
169.10222	3.5
171.10152	2.3
171.11653	3.2
173.13269	9.9
173.56021	2.3
175.14787	2.6
177.12769	25.0
179.14400	8.4
181.06883	2.1
184.07365	2.6
188.18161	2.7
195.13759	5.2
227.12836	3.9
229.14397	5.5
239.17883	4.2
245.13618	3.5
247.20450	3.5
251.16469	5.1
255.15891	45.6
257.18979	8.6
269.17505	100.0
275.20056	37.2
278.68109	2.2
307.18756	2.4
309.20309	3.1
342.17178	2.4
349.23767	76.2
349.28079	4.3
367.24750	23.2
387.08353	2.4
396.21960	2.5
413.21347	5.4
414.09503	6.3
444.10651	6.4
511.29126	3.4
564.14795	8.3
564.33051	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	564.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03440	1.5
57.97416	1.0
58.06607	1.1
61.02931	1.4
67.11520	0.9
69.03423	7.0
70.06590	3.4
71.04964	1.3
71.53761	1.8
72.43556	0.9
73.02916	1.2
76.02251	1.0
81.03423	7.3
82.13435	1.0
84.08144	1.2
85.02911	7.2
87.00822	2.0
88.93329	1.1
91.05498	4.2
91.73696	1.1
95.01366	1.4
97.02921	3.0
99.04466	2.6
103.03968	1.9
107.04987	1.1
109.02879	5.0
115.05434	1.5
118.97019	1.1
119.04965	1.8
121.02869	2.3
127.03909	9.9
132.04489	2.9
137.05991	8.2
143.04939	5.5
147.04468	1.3
149.06079	1.0
150.45959	1.2
151.07584	2.7
161.05902	1.1
163.06290	3.4
164.07071	12.9
165.06995	1.5
166.07835	2.2
175.04022	1.3
175.07608	3.6
178.06418	1.7
178.08705	31.9
179.08574	11.0
187.05994	1.5
189.07025	2.9
189.09016	1.2
191.08566	5.3
194.07314	3.0
205.08917	1.5
206.07718	2.0
206.09732	9.1
207.08069	11.5
208.07481	1.4
211.07587	1.4
215.09409	1.4
216.06613	1.8
217.06461	1.2
217.08911	1.4
218.07166	1.1
219.08098	6.5
220.07407	1.1
222.09187	1.3
223.07684	2.0
224.08389	6.7
224.10527	2.3
225.09178	1.6
226.09969	3.4
233.08337	2.9
234.09106	9.6
235.09985	4.8
238.09927	3.6
239.10721	7.1
240.10228	1.6
241.10979	2.9
250.08662	18.2
251.09236	19.6
252.10121	6.8
253.10834	1.2
254.11971	1.3
256.13397	1.9
258.11359	1.3
266.11771	15.4
267.12585	4.3
268.10391	1.9
268.13300	16.1
269.14178	1.5
284.12830	12.0
298.14487	1.8
299.15195	3.5
307.06113	2.2
316.15451	29.5
337.07086	1.2
349.07169	1.7
363.08905	1.7
379.08206	1.6
402.19257	1.7
408.08258	1.4
409.09341	1.8
413.04984	1.3
444.10452	2.1
511.12534	1.4
520.21759	35.4
546.14874	1.6
564.20819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
53.36858	0.2
55.01859	0.4
57.03431	0.2
61.02919	0.3
69.03140	0.2
69.03431	1.9
69.38005	1.5
71.04984	0.3
73.02898	0.6
75.25603	0.2
81.03419	1.9
85.02909	2.0
87.00812	0.6
89.03873	0.2
91.03944	0.2
91.05461	0.6
97.02885	1.0
99.04446	0.5
103.03934	0.3
105.01855	0.3
105.07006	0.3
107.04953	0.3
109.02917	1.1
115.05466	1.9
117.05730	0.2
118.06533	0.5
119.04979	0.5
123.04421	0.8
124.76022	0.2
127.03917	1.3
129.01813	0.2
131.04953	0.2
133.06464	0.3
135.04524	0.2
136.05170	0.3
137.06024	0.5
143.04930	3.3
145.04985	0.2
147.04388	1.0
150.06779	0.3
151.07545	5.3
159.02899	0.3
160.20409	0.2
161.05995	4.9
162.05562	0.2
163.06329	0.4
163.07568	0.2
164.07071	100.0
165.07457	0.4
165.09106	0.6
178.08713	0.2
189.09070	0.4
206.08218	0.3
268.11108	0.3
299.12869	1.6
314.13937	0.3
316.15466	2.5
348.70102	0.4
368.13364	3.2
386.92548	0.2
412.12317	3.1
478.20712	1.2
520.21814	9.6
532.76276	0.3
564.20770	30.6
565.20953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84073	0.6
52.32186	0.6
53.03933	2.2
55.01866	1.5
57.03425	2.5
61.02920	2.3
69.03081	0.9
69.03433	15.8
69.65761	0.6
70.06577	1.0
70.21350	2.5
71.01353	0.6
71.04988	1.0
73.02909	3.1
81.02977	1.0
81.03425	13.7
85.02430	1.0
85.02915	17.0
87.00834	3.6
87.04510	0.7
91.05491	2.1
95.04947	0.7
97.02907	8.2
99.04456	4.1
99.05036	0.6
103.03931	1.5
105.01892	0.8
107.04995	1.4
108.15072	0.5
109.02888	11.7
111.64753	0.6
115.05456	5.6
119.04948	1.8
120.08154	0.8
121.06510	1.4
121.72710	0.6
123.04433	29.7
127.03920	13.0
128.62148	0.6
129.01826	0.6
131.04945	1.8
132.08063	0.6
135.04337	0.8
137.02284	0.6
137.05988	14.4
139.07564	0.6
143.04929	14.5
145.04976	1.7
145.06477	0.9
147.04425	1.1
149.05989	2.5
149.08269	0.7
150.06775	0.8
151.07515	3.1
159.02876	1.3
160.05214	1.6
161.06007	5.3
163.06296	0.9
163.07501	2.8
164.07117	2.6
167.08568	1.4
171.53154	0.6
175.07556	16.2
176.08380	1.4
177.07855	7.6
178.08656	6.4
179.08505	1.0
180.10242	1.5
187.06085	3.0
189.09212	0.7
192.10202	56.5
195.08098	2.8
207.07835	1.4
208.09662	1.1
213.09140	3.2
222.11157	1.7
223.07561	1.6
225.09210	2.1
227.10684	1.1
235.07645	1.3
241.08539	1.7
253.08647	4.7
255.06657	0.8
267.10403	0.7
267.44812	0.6
270.08972	1.0
273.11179	3.7
284.12982	1.6
285.11234	14.0
299.13007	1.0
311.05676	1.1
312.06119	0.9
314.13965	1.1
316.15451	72.0
324.05664	0.7
337.07175	0.6
338.07693	1.4
366.07126	0.6
368.08911	0.9
378.07028	0.9
379.08694	0.7
396.08041	1.1
408.08386	0.9
444.10162	1.1
468.10428	0.9
478.20947	1.7
486.11383	0.8
498.11542	0.8
510.11627	0.8
520.21820	29.2
528.11835	1.1
546.13965	1.0
546.23206	0.8
564.20795	100.0
565.20905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
53.93261	1.3
55.01873	2.2
55.05518	13.7
56.61988	1.4
57.03445	8.8
57.07078	2.7
65.03927	2.5
67.05507	55.9
69.03460	1.6
69.06793	1.6
69.07073	16.7
70.58030	1.5
71.05016	2.8
79.05495	31.7
81.07060	100.0
83.04980	4.8
83.08613	7.5
85.06558	1.7
91.05489	30.8
93.07050	38.0
95.04982	1.8
95.08613	46.8
97.06508	6.3
97.10152	2.3
98.20792	3.2
99.08070	3.3
105.04547	1.7
105.07033	35.7
107.08600	25.6
109.06506	3.8
109.10159	18.7
117.06996	5.4
119.08589	30.1
121.10149	25.9
123.08076	2.9
123.11709	26.5
127.07547	2.2
129.07002	1.7
131.08585	8.1
133.10175	7.4
135.11696	11.6
137.13246	3.9
145.10143	7.6
147.11691	53.8
149.13245	7.7
159.11682	7.0
161.13303	3.9
163.14799	3.4
165.12744	22.3
173.13257	6.8
175.11218	1.4
175.14830	2.1
177.16309	1.9
178.17764	1.3
182.83022	1.4
183.13846	2.9
187.14810	3.0
193.12318	2.3
209.25670	1.5
211.13243	1.9
229.14354	6.2
233.22696	1.6
243.21095	6.2
261.22165	29.0
267.13065	2.3
267.15921	49.0
279.23093	5.6
285.16995	52.6
317.24847	6.5
335.25833	48.7
353.26657	3.3
453.33633	3.3
471.34705	3.8
527.37109	8.3
545.38428	30.0
553.24414	1.6
563.39160	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	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
53.40574	0.8
53.60303	0.8
54.30024	0.7
55.01863	1.7
55.05514	15.5
55.05780	1.0
57.03439	9.5
57.07068	3.2
64.24760	0.9
65.03937	2.3
66.30957	0.8
67.05508	55.4
68.29528	0.8
69.07070	15.5
69.87818	4.1
71.04991	3.4
71.08639	1.0
77.03899	0.9
79.05495	39.4
80.97842	0.8
81.07061	100.0
83.04980	4.1
83.08622	7.3
85.06536	4.1
91.05486	26.6
91.05916	0.5
91.06071	0.9
93.07046	39.3
93.07632	1.9
95.04980	3.7
95.08609	43.7
97.06537	7.1
97.10174	2.6
99.08107	2.5
101.06057	1.0
105.07035	31.4
107.08605	27.8
109.06522	3.3
109.10161	17.3
111.08083	2.4
117.07005	5.2
119.07935	0.5
119.08585	22.9
121.10150	27.2
123.08073	2.9
123.11708	22.2
125.09702	1.2
127.07583	1.6
129.07014	2.1
131.08589	11.1
133.10146	9.8
135.11697	12.8
137.09630	1.0
137.13261	4.3
141.09096	0.9
143.08566	0.8
145.10138	6.4
147.11697	39.9
149.09662	1.1
149.13260	7.2
157.10146	3.0
159.11722	4.7
161.13275	4.7
163.11151	1.4
163.14812	3.6
165.12755	18.4
167.49460	0.8
172.95235	1.0
172.99872	0.9
173.13231	4.8
175.11176	2.6
175.14842	1.9
177.12741	1.1
177.16365	1.0
183.13809	3.1
187.14812	2.4
193.12271	1.3
201.16341	1.0
222.97598	0.9
229.14359	6.3
239.44415	0.9
243.21089	7.7
261.22144	30.8
267.15933	43.6
279.23236	7.4
285.16983	39.0
285.20215	1.5
317.24802	9.1
335.25806	58.0
353.27155	2.0
399.82874	1.0
408.75195	1.0
430.64362	1.0
435.32272	0.9
453.33572	3.1
471.34555	1.8
522.22223	2.2
527.37347	5.7
545.38348	25.4
563.35193	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.05300	1.4
55.05511	15.8
55.44738	1.5
57.03448	7.2
57.07069	2.4
65.03928	2.5
67.05508	56.6
69.07072	19.9
71.04983	3.2
73.88921	1.4
79.05057	2.4
79.05495	37.9
81.03412	2.3
81.07062	100.0
83.04973	3.6
83.08620	7.4
85.06531	5.7
91.05486	29.4
93.07050	39.2
95.04974	2.8
95.08616	48.4
97.06529	5.2
97.10194	3.0
98.21484	5.4
99.08089	4.7
105.04518	1.8
105.07040	33.9
107.08609	25.6
109.06496	3.9
109.10181	16.7
117.07012	4.8
119.08588	27.6
121.09317	2.3
121.10155	33.6
123.08049	3.5
123.11721	28.0
127.07587	2.2
129.06944	1.4
131.08563	9.5
133.10141	8.7
135.11708	8.2
137.13263	5.3
145.10112	8.2
147.11688	54.7
149.13261	6.1
157.10143	3.4
159.11714	5.9
161.13243	3.7
163.14838	4.0
165.12766	22.1
173.13272	3.6
175.11255	2.9
175.14832	1.9
177.16389	1.6
183.13828	3.3
187.14783	3.3
193.12267	2.8
201.16365	1.8
205.15611	1.4
229.14337	6.2
232.01822	1.4
243.21149	6.9
253.73172	1.5
261.22156	24.5
267.15915	40.9
279.23227	5.1
285.16986	48.7
317.24875	8.0
335.25787	44.9
347.82660	1.4
353.26752	3.7
354.66895	1.4
358.33218	1.6
453.33469	3.0
471.34521	4.0
527.37146	5.6
545.38361	23.6
563.35767	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	563.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
60.70351	1.0
70.19225	4.5
85.02897	1.7
85.24784	1.1
106.06561	1.0
114.70660	1.1
130.06537	33.1
154.06494	2.4
162.95644	1.1
167.08626	1.2
180.08105	4.5
181.08852	3.1
184.03227	1.1
190.13983	1.0
192.08122	1.6
194.08191	1.0
194.09688	5.6
204.08029	2.5
206.08401	3.9
207.09201	3.8
209.10670	1.8
219.09212	3.6
220.09959	4.1
221.10742	40.0
222.11523	13.3
223.12314	7.9
237.10201	2.5
239.11821	28.1
242.69481	1.0
247.08701	2.6
248.09460	2.1
253.13371	3.7
254.10379	2.1
254.14293	5.3
265.09717	8.6
266.10507	3.4
267.11182	2.4
268.12076	1.2
283.10794	5.8
298.13104	3.8
315.13394	100.0
330.39581	1.1
402.64523	1.1
447.14044	1.2
494.27936	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94603	1.4
53.03933	4.3
55.01869	2.5
55.05521	15.7
57.03441	9.1
57.07061	2.5
58.26240	1.5
65.03931	1.9
66.63100	1.4
66.99390	1.3
67.05507	54.5
69.06784	1.5
69.07075	18.5
71.04987	4.2
71.08622	1.5
79.05495	31.4
81.03429	1.9
81.07059	100.0
83.04984	7.5
83.08621	9.0
85.06538	4.1
89.95462	1.4
90.42091	1.4
91.05483	32.8
93.06479	2.6
93.07043	39.4
95.04958	3.3
95.08609	48.1
97.06516	6.7
98.21480	4.1
99.08058	2.7
105.07032	35.8
107.08604	23.3
109.06535	3.8
109.10150	19.2
116.96093	1.5
117.07021	3.7
119.08593	28.8
121.10139	27.0
122.13161	1.6
123.08050	3.6
123.11721	27.3
127.07597	2.1
130.07843	1.6
131.08583	10.6
133.10153	8.0
135.11722	10.5
137.13226	5.9
145.10138	6.1
147.11694	55.2
149.13225	7.3
151.11229	1.9
157.10081	3.1
159.11667	5.1
161.13200	3.1
163.14818	3.4
165.12778	24.0
173.13266	4.7
175.11177	2.1
175.14920	2.1
183.13855	4.3
187.14862	2.4
193.12315	1.7
229.14366	6.4
229.50504	1.6
243.20998	5.2
261.22137	26.0
267.15921	66.2
274.27390	1.4
277.21561	1.8
279.23212	5.7
285.16977	43.8
317.24759	6.3
335.25806	49.7
435.33392	1.9
453.33740	2.3
471.34494	3.0
527.37433	6.9
540.18451	1.7
545.38409	29.6
563.39618	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01859	2.4
55.05489	1.9
57.03428	5.8
59.05001	10.6
60.13559	1.8
61.02925	4.7
69.03076	3.8
69.03432	46.6
69.24306	7.9
69.24725	9.8
70.06583	5.0
71.55241	1.9
71.65573	1.7
85.02892	7.2
86.09681	2.8
87.04472	2.3
89.06030	5.4
91.05426	2.2
95.04993	2.5
103.03920	3.6
105.03395	32.2
109.02925	3.1
111.04392	2.8
117.09164	3.9
121.02812	2.8
129.03378	7.0
133.08653	2.3
145.06482	2.1
147.04446	2.5
161.05997	2.3
173.02493	2.3
175.13237	1.8
177.01862	3.3
186.06734	1.8
189.01866	7.0
191.03448	6.6
195.02957	4.0
197.05968	2.9
203.03394	6.3
205.05112	1.9
207.02869	4.1
213.05504	2.5
215.03423	3.4
219.02774	1.8
225.05615	2.3
229.04866	3.0
239.03325	3.2
241.04999	2.4
248.04236	1.9
251.07088	3.3
252.07695	3.4
253.08531	1.9
255.06526	3.9
257.04532	4.0
263.06894	2.8
264.07590	2.6
265.08566	9.4
266.50531	1.8
267.06549	7.1
275.07019	3.4
277.08536	4.3
278.05734	38.1
279.06534	42.6
280.07306	4.5
281.08133	6.8
289.08643	3.7
291.06516	60.1
292.07355	19.5
293.08063	18.6
297.07614	6.8
301.08633	3.7
303.06683	11.2
304.07376	4.2
305.08096	24.8
306.08801	6.6
307.06155	4.4
307.09656	5.7
309.07593	41.7
311.05640	2.4
315.09866	3.6
317.08090	12.7
318.08865	5.1
319.06216	3.2
319.09659	11.7
320.06848	5.6
321.07584	87.2
323.05463	2.2
323.09134	3.3
327.10077	9.4
329.08075	3.0
331.09695	13.6
333.07614	31.8
333.11285	5.1
335.09122	29.2
337.07187	2.3
339.08627	23.5
341.08121	2.9
343.09555	12.6
345.07492	15.5
345.11319	4.7
346.08505	2.7
347.09262	15.5
349.06998	3.5
349.10959	2.0
351.08563	3.5
353.08182	3.0
359.04840	3.0
359.09137	34.6
361.10764	16.1
363.08640	57.5
365.10074	2.5
371.09204	29.6
373.10751	5.7
375.08585	9.4
377.10150	8.3
385.10614	5.0
387.08551	9.7
389.10236	57.6
393.09659	6.8
399.12689	3.1
401.10025	3.7
405.09653	6.0
407.11276	88.6
411.10818	14.9
413.10312	9.3
419.10941	2.0
423.10651	6.3
425.12360	55.6
427.11749	2.7
431.11230	13.0
441.11929	21.0
443.11606	9.7
447.10800	4.5
455.11017	4.7
459.12885	19.2
465.11841	37.5
473.12448	10.2
483.12924	21.1
491.13538	18.4
509.14459	100.0
527.15576	32.9
545.16669	12.4
563.17944	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	563.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
57.03456	2.0
61.02917	4.5
67.10100	1.8
69.03437	19.4
69.99972	9.7
81.03412	3.2
83.08653	2.4
85.02903	5.4
87.04471	4.4
91.03973	1.9
91.05444	2.7
97.02874	3.6
97.06538	1.9
100.11261	6.0
105.03397	23.4
109.02912	2.8
111.04452	2.1
117.74453	2.1
119.04916	2.2
121.02873	6.1
129.03333	3.4
137.05934	2.6
141.01663	1.8
159.04465	2.4
169.08379	2.6
177.01813	3.9
177.05301	2.2
181.38052	1.8
189.01833	4.6
191.03456	5.0
201.01810	2.0
203.03381	7.3
207.02873	3.9
219.02853	2.9
229.05025	6.3
251.07094	3.2
252.07870	5.8
255.06670	1.9
257.04388	2.6
263.07028	2.8
264.07761	3.9
265.08716	6.2
267.06555	5.1
269.04410	2.1
277.08603	4.9
278.05734	27.2
279.06488	58.1
280.07281	9.8
281.08090	8.1
289.08487	2.9
291.06564	46.5
291.09802	3.0
292.07266	16.9
293.05103	2.9
293.08005	14.2
295.05838	3.0
297.03946	5.8
297.07675	6.6
299.05551	3.2
302.09705	2.1
303.06589	11.6
304.07364	3.2
305.08133	32.7
306.05771	1.7
306.08734	9.9
307.06036	5.1
307.09680	5.3
309.03925	10.5
309.07526	100.0
315.09988	2.2
317.08099	5.4
318.08786	2.6
319.06204	3.2
319.09665	8.0
320.06726	2.0
320.18936	2.7
321.07596	62.2
325.06998	2.9
327.05035	2.5
329.08215	4.2
331.09540	13.7
333.07605	29.0
335.05426	2.5
335.09116	26.3
336.22708	2.1
337.07169	5.1
339.05057	5.7
339.08661	17.5
341.08243	2.5
343.09659	2.1
345.07501	9.7
347.08990	8.2
348.44443	2.1
349.07086	4.1
349.10757	10.6
351.08575	6.6
357.07501	5.1
359.09152	25.5
361.10678	3.9
363.04785	2.3
363.08655	45.2
369.07431	4.6
375.08649	15.0
377.10239	30.2
379.08160	2.3
381.09497	2.0
385.10971	3.6
387.08701	22.9
389.10074	11.4
393.05530	2.7
393.09811	26.9
395.11255	41.5
399.12625	2.9
403.11835	4.0
405.05753	2.7
405.09900	21.3
407.11090	5.5
413.11932	8.4
417.09589	2.5
423.10815	25.2
425.12366	25.9
429.09842	2.7
431.11053	9.1
441.11823	56.9
443.13510	20.9
449.12231	28.9
455.11432	5.7
461.12256	6.4
467.13571	26.1
473.12207	11.0
479.13416	34.2
491.13339	22.6
497.14487	14.8
509.14484	34.7
527.15503	33.5
545.16528	13.7
562.39075	2.2
563.39954	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
54.89990	0.3
55.01860	0.4
57.03428	0.5
61.02915	0.7
65.03955	0.3
68.45023	0.3
68.99805	0.4
69.03435	2.8
70.06541	0.3
71.57490	0.3
73.02914	0.3
81.03400	1.1
84.71342	0.2
85.02915	1.9
91.05480	0.9
97.02905	0.8
107.01315	1.3
107.04979	0.3
109.02896	1.4
111.00890	0.3
116.89384	0.3
119.04949	5.7
119.08551	0.3
121.02881	12.2
123.00786	1.6
125.02354	0.3
128.43710	0.3
131.04948	0.4
135.00769	1.0
135.04416	1.0
136.01575	0.5
137.06007	0.8
145.02859	1.0
145.11826	0.3
147.04398	0.5
149.02370	0.4
151.03923	0.4
153.01823	0.3
161.02368	0.9
163.03949	1.1
165.01848	0.5
173.02368	0.7
175.03932	0.6
178.99760	0.8
179.03383	0.7
185.05991	0.5
187.03918	0.7
189.01849	1.4
190.99741	3.9
191.03400	0.4
193.01295	1.4
201.01883	0.3
202.99719	0.9
203.03412	0.9
205.01295	0.6
207.02992	0.6
209.00832	9.8
211.02400	0.6
215.07047	0.4
217.01360	3.6
219.02881	0.9
221.00830	3.7
221.04201	0.3
227.01910	0.9
231.02948	1.3
235.02415	4.1
239.01778	1.5
241.04958	0.6
243.02750	0.3
243.06535	0.7
248.11943	0.3
249.03923	0.9
251.07150	0.4
254.05721	0.8
255.06598	0.3
257.04440	0.6
265.04849	0.5
267.06561	0.5
268.03629	0.9
269.04459	1.0
271.06027	0.4
278.05746	0.4
279.06491	0.8
282.05209	0.8
283.06146	0.9
287.02039	0.5
291.06540	0.7
294.05240	1.2
295.05948	2.2
296.03210	1.9
297.04001	5.1
297.07138	0.4
298.04886	0.4
299.05560	1.2
305.08124	0.5
307.06100	3.0
308.06790	0.8
309.03946	100.0
310.04382	0.7
311.05475	1.2
315.08807	0.4
319.05963	0.5
321.03983	1.6
321.07611	1.4
323.05515	3.0
323.08853	0.4
325.07028	1.9
327.04977	2.1
331.06183	0.3
333.03882	0.5
333.07562	0.6
335.05508	14.3
337.07040	3.7
339.05008	38.4
340.05017	0.4
347.05499	0.7
347.09238	0.5
348.09625	0.3
349.07086	9.0
351.04929	0.5
351.08676	1.0
353.06561	1.1
355.08209	0.7
357.06110	1.8
359.05350	0.4
359.09225	0.5
361.06845	0.7
363.04993	21.0
363.08478	1.0
365.06375	0.6
367.08145	0.7
375.04974	2.2
375.08835	1.0
377.06519	1.3
377.10681	0.7
379.08121	2.0
381.05972	1.2
387.08716	0.7
392.71536	0.4
393.06042	17.8
394.22073	0.4
395.07224	0.3
395.11420	3.0
405.05804	12.3
413.13034	0.4
421.12744	0.8
423.06860	20.8
425.12494	1.5
429.10327	0.3
439.70908	0.3
441.08044	30.6
443.08893	0.6
443.14230	0.5
447.10791	0.6
449.12650	0.8
459.09146	20.6
465.11896	1.2
467.13364	1.4
473.12460	1.3
473.24847	0.6
479.13177	1.2
482.25275	0.3
483.12732	1.3
491.13510	1.4
502.98160	0.3
509.14490	5.8
527.15613	4.3
545.16577	1.6
563.16852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.4
55.05507	12.2
61.02908	11.2
65.68728	9.7
66.48363	9.0
67.05491	45.1
69.03436	10.0
69.07069	19.1
71.56791	10.9
79.05474	24.2
81.03401	12.5
81.07049	45.4
85.02901	21.3
87.04488	10.8
91.05461	45.8
93.07024	23.4
95.04924	10.8
95.08598	13.8
99.63055	9.3
105.07024	30.4
107.04929	11.4
107.08578	30.2
109.10168	23.3
110.91508	10.5
119.08604	12.5
131.08620	12.1
133.10132	37.5
135.11728	12.7
143.52139	10.5
151.11165	16.4
206.06857	8.9
211.85649	9.4
215.16708	9.3
253.14264	32.0
271.15399	15.9
273.18509	13.9
291.19601	11.9
365.23187	100.0
447.37878	11.8
456.64493	10.4
464.31079	9.9
562.37860	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	563.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11121	0.2
53.03952	0.8
55.00764	0.1
55.01876	1.2
55.05492	0.2
57.03427	0.6
59.04988	0.3
61.02932	0.8
67.05477	0.2
68.99770	0.6
69.03434	4.8
69.31413	1.2
70.06568	0.2
71.04993	0.4
73.02925	0.8
81.02988	0.3
81.03421	4.5
81.07069	0.3
83.08573	0.2
85.02911	8.2
87.00838	2.9
90.01871	0.1
90.96790	0.2
91.03973	0.2
91.05487	0.3
93.07002	0.2
97.02899	2.7
99.04454	1.5
102.46402	0.1
103.03928	0.2
105.01871	1.6
107.08607	0.2
109.02885	3.7
117.01865	0.5
119.08593	0.2
121.06554	0.2
123.04434	0.2
127.03928	5.9
129.01836	0.6
134.03648	1.2
137.00908	0.2
137.05974	0.5
138.03142	0.6
144.33559	0.1
145.04955	1.4
147.02876	0.3
159.02887	1.7
163.03926	0.4
166.02637	1.2
167.03416	5.5
167.07053	1.1
184.03659	0.7
187.07457	0.2
198.18884	0.2
199.07394	0.2
209.01129	0.2
212.04630	0.5
213.03844	0.2
215.06990	0.3
216.07861	0.5
227.07047	1.2
229.04948	0.2
231.04988	0.7
240.04170	1.2
243.06532	3.6
244.07288	1.8
255.06525	5.0
259.09695	0.6
267.06454	0.3
268.03732	0.4
271.06152	0.8
272.06693	0.7
282.05487	0.2
283.06052	6.7
284.06393	0.2
285.07669	0.3
287.09259	0.3
297.07730	0.3
299.05560	1.0
299.08734	0.2
300.06308	11.4
313.07056	0.4
315.08627	100.0
316.08917	0.8
323.05902	0.2
357.09683	0.3
563.34491	0.8
566.10553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87923	2.3
75.87733	0.4
81.03421	0.6
85.02898	1.9
89.06014	0.5
91.05493	0.7
97.02872	0.6
103.03949	0.7
107.01318	1.3
109.02953	0.6
119.04959	7.6
121.02878	13.1
123.00797	2.2
123.04462	0.8
133.02873	0.9
135.00783	1.4
135.04414	2.5
145.02869	1.3
147.04449	0.5
151.03955	1.0
153.01808	0.7
158.73863	0.5
161.02339	1.0
163.03908	1.4
173.02350	1.5
178.99704	0.7
179.03458	0.7
189.01836	1.6
190.99757	4.6
193.01299	1.0
195.92763	0.4
201.01874	0.7
202.99773	2.4
203.03305	0.8
207.02985	1.0
209.00822	12.3
211.02222	0.4
213.01912	0.9
217.01347	6.1
219.02879	0.5
221.00815	6.9
221.04280	0.6
227.01857	1.0
231.02837	3.3
235.02393	5.6
239.01906	2.2
241.01349	1.1
243.06401	0.8
247.02519	0.5
249.03902	2.3
254.05663	0.9
257.00943	1.3
257.04614	0.5
259.02472	0.9
265.04968	0.7
268.03799	0.5
269.00836	1.7
269.04724	0.4
275.01871	0.6
279.06549	0.6
282.05225	0.8
283.05933	0.5
287.01929	1.7
293.04465	0.7
295.05923	0.9
297.03983	3.1
307.06009	2.2
309.03940	100.0
310.04520	0.5
311.05405	1.6
321.04117	3.1
321.07495	0.7
323.05533	1.9
327.05026	7.2
331.06018	1.1
335.05508	24.3
339.05017	46.4
347.05466	0.7
349.03085	0.8
349.07117	13.6
353.06522	1.0
359.05457	1.5
363.05020	34.0
367.08392	0.6
375.05011	11.7
377.06821	2.7
381.06055	0.8
387.05035	3.2
393.06076	22.6
405.06091	21.6
413.08682	11.0
423.07098	12.8
441.08212	8.2
443.09641	4.7
459.09201	1.2
467.09756	10.6
491.09521	0.5
497.10696	6.5
509.10846	1.6
527.11676	5.8
545.12909	1.7
563.31995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01858	1.2
57.03411	1.2
59.27826	0.5
61.02904	1.2
68.99789	0.7
69.03091	0.5
69.03429	9.5
70.06594	0.6
70.08665	1.2
70.09048	2.0
71.04960	0.6
73.02891	1.2
76.11169	0.6
81.03421	7.5
82.96428	0.5
85.02910	8.0
87.00835	4.6
90.45821	0.5
91.05456	2.1
97.02909	3.9
99.04427	2.3
105.01846	0.9
109.02889	5.6
117.01853	0.7
127.03930	5.9
128.04971	4.1
135.04411	0.5
145.04948	1.5
150.47301	0.6
156.03281	0.5
156.04463	7.6
159.02925	1.2
165.07034	3.4
167.07133	0.7
172.03923	1.5
178.07771	1.6
179.05441	0.5
179.08562	10.3
180.08003	0.8
181.06483	1.0
186.05507	8.7
187.06076	0.9
189.06999	9.7
191.07271	6.6
191.08655	1.1
193.06506	4.2
195.08076	1.6
203.62811	0.5
204.08131	2.2
205.06671	0.6
205.08841	3.2
206.09653	26.2
207.06253	0.8
207.08081	14.4
208.07545	1.1
208.11195	1.2
209.05969	2.1
211.06302	1.6
216.08041	1.8
217.06534	12.8
217.08813	1.8
219.06714	1.5
220.07584	0.8
222.06821	0.9
223.07634	3.8
224.07031	0.9
232.07558	1.5
232.59485	0.6
233.08382	4.1
234.09131	35.9
235.07814	8.1
236.10722	1.2
237.09245	5.0
238.08609	7.5
239.06998	2.1
239.09309	0.9
247.07614	5.9
248.07076	20.9
249.07704	12.7
250.08757	0.8
252.10243	1.2
262.08633	10.8
263.09402	1.6
264.10205	100.0
265.08533	1.5
265.10904	0.9
266.11798	11.8
267.08914	2.4
282.11230	15.0
296.12836	14.7
314.13858	1.6
322.41357	0.6
324.12271	0.7
366.13608	0.8
426.15109	0.9
476.19983	0.6
486.17642	13.7
518.20276	11.4
530.16602	15.5
562.19208	77.4
563.19537	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63482	1.1
52.21346	1.2
53.03946	6.1
53.60515	1.1
55.01877	3.1
55.05516	23.5
57.03436	3.9
57.07082	3.8
59.05012	2.2
65.03944	5.3
67.05509	86.0
69.03442	2.0
69.07074	19.5
69.88495	5.4
71.04997	47.8
71.08633	2.0
73.06592	1.6
74.49239	1.3
79.05497	57.1
81.03426	1.4
81.07063	96.5
81.93285	1.4
83.04979	9.3
83.08624	12.1
85.06536	8.3
91.05488	61.4
93.07047	66.7
95.04978	7.1
95.08609	37.0
97.06541	10.3
97.10182	3.8
98.20798	1.5
99.08091	1.8
103.20284	1.3
105.04550	2.3
105.07040	36.0
107.08600	34.0
107.09296	2.7
109.06551	3.9
109.10174	16.3
111.08105	2.6
117.07037	12.3
119.06100	1.5
119.08588	16.5
121.06515	1.5
121.10149	21.6
123.08113	2.7
123.11723	15.4
125.09667	1.5
129.07042	4.4
131.08585	17.6
133.10133	34.6
135.11700	14.6
143.08617	3.8
145.10132	11.5
147.11664	8.4
149.13255	13.7
150.31161	1.2
151.11208	13.7
155.08675	2.0
157.10168	4.0
159.11691	14.4
161.13280	7.0
169.10162	1.3
171.11769	2.7
173.13319	5.6
175.14987	1.7
177.12799	3.8
183.12253	2.0
183.13826	15.2
185.13336	2.2
187.13348	3.5
187.14920	2.8
195.13815	6.8
197.13393	1.6
199.14951	1.4
206.04581	1.3
227.16481	2.0
233.15558	1.4
243.21065	1.6
253.18073	3.0
257.17477	1.9
261.22192	3.8
269.17606	2.4
283.18991	2.1
285.17184	4.8
293.21109	2.8
335.25949	2.5
349.27649	1.5
361.27594	3.1
363.25455	3.7
419.32932	1.5
437.34348	4.8
511.38107	3.6
517.38910	26.7
517.45789	2.1
522.49811	1.4
529.38922	40.6
543.38104	3.0
561.41577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01866	0.5
55.05515	1.8
57.03434	1.0
57.07053	0.3
59.05006	0.3
59.41471	0.2
60.82064	0.3
65.03925	0.5
67.05508	7.7
69.03433	0.3
69.07075	2.1
70.68047	0.8
71.04996	2.5
71.08627	0.4
74.15267	0.2
79.05497	5.8
80.32104	0.3
81.07060	8.8
83.04982	0.9
83.08631	1.5
85.06538	0.4
87.04480	0.3
89.06043	0.4
91.04951	0.5
91.05482	4.5
93.06471	0.4
93.07049	7.2
95.04950	0.8
95.08617	5.4
97.06532	1.2
97.10199	0.4
105.07030	3.1
107.04965	0.6
107.08604	4.1
109.06527	0.4
109.10155	1.7
111.08071	0.4
117.07040	1.3
119.08598	2.4
121.06497	0.3
121.10141	2.6
123.08098	0.3
123.11710	1.0
129.07021	0.6
131.08568	2.3
133.10135	2.6
133.43700	0.3
135.11707	3.9
143.08611	0.5
145.10135	2.4
147.11679	0.8
149.13301	0.9
151.11217	1.0
157.10153	0.5
159.11728	1.1
161.13257	0.8
163.11189	2.2
173.13286	0.8
175.14784	0.3
181.12149	0.6
183.11705	0.3
183.13814	0.8
187.14844	0.3
195.13835	0.4
227.12793	3.4
227.16524	0.3
238.59995	0.2
243.21036	0.4
261.22177	1.2
269.17535	0.7
275.20038	0.9
283.15527	1.6
285.17163	0.3
291.91983	0.2
317.24905	0.4
335.25748	4.1
335.29297	0.3
361.27597	0.3
437.34360	0.4
451.31711	0.3
517.38885	1.2
525.35486	0.3
529.39081	1.8
543.36829	3.3
561.39795	100.0
562.40405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.0
54.70400	1.4
55.01862	5.0
55.05516	24.5
57.03440	9.0
57.07078	5.3
59.04987	2.5
65.03932	1.9
67.05511	64.4
69.03426	2.2
69.07070	23.1
71.04993	8.9
71.08630	2.0
71.42651	3.9
79.05499	50.4
81.03407	3.7
81.07063	100.0
83.04978	8.8
83.08618	15.2
85.06548	6.4
91.05486	65.6
93.06470	3.4
93.07049	55.7
95.05003	10.0
95.08611	40.1
97.02880	2.2
97.06561	10.6
97.10172	6.6
99.08087	3.7
103.05447	2.0
105.04558	2.2
105.07040	68.0
107.04971	2.8
107.08604	34.6
109.06513	7.0
109.10154	18.3
110.10451	3.3
111.04414	3.4
111.08112	4.1
115.05490	3.3
115.07401	1.9
117.07034	12.5
119.08588	62.0
121.06502	2.9
121.10152	38.2
123.08044	4.4
123.11713	26.8
125.09653	2.2
128.06186	2.0
129.07004	7.4
131.08569	24.3
133.10144	31.2
135.07999	3.1
135.11710	16.2
137.09647	2.0
137.13318	2.0
142.07796	3.2
143.08553	9.4
145.06552	1.9
145.10136	20.5
147.08044	2.1
147.11699	81.0
149.09631	4.5
149.13246	8.7
151.11157	3.0
155.08511	2.2
157.10144	9.0
159.11713	15.8
161.09583	2.0
161.13278	24.9
163.11200	5.5
163.14857	4.3
165.12785	27.8
169.10220	2.6
171.11694	8.2
173.11971	1.9
173.13214	10.5
175.11247	3.9
175.14847	9.0
181.12248	2.2
183.11789	2.1
183.13751	2.5
185.13245	5.3
187.14787	3.7
189.11136	2.0
189.12709	2.7
193.12262	2.1
195.11763	1.9
197.13396	2.5
199.14815	6.0
207.56860	1.7
209.11755	6.0
213.16444	2.3
215.17924	2.0
217.19470	1.7
227.12827	5.5
229.14389	6.9
231.17696	2.1
231.21085	4.7
241.19551	25.2
257.18976	2.3
259.20578	51.9
261.22134	2.1
267.15921	37.2
267.18585	2.5
271.21039	1.9
275.20090	3.3
277.21606	8.1
283.15289	4.3
285.14008	3.2
285.16977	46.2
293.21091	1.7
296.56421	1.7
298.41095	1.6
315.23181	5.7
333.24274	37.5
335.25827	2.0
349.23199	2.2
351.25281	2.3
433.31027	4.0
451.32184	4.0
469.33044	6.6
502.20227	1.6
515.37115	2.7
525.36017	12.4
543.36871	37.2
561.37073	41.2
561.45239	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	561.3979
Annotation	(+)-Strempeliopidine
Peak:m/z	Relative Intensity
53.03943	0.6
55.01867	0.7
55.05507	2.1
55.73324	0.2
57.03440	1.7
57.07076	0.6
59.05007	0.2
65.03912	0.2
67.05509	7.4
67.74651	0.2
69.07070	1.9
71.04996	0.7
71.08626	0.5
71.56512	0.3
79.05494	5.8
81.03414	0.4
81.07059	7.7
83.04989	0.6
83.08606	1.3
85.06560	0.3
85.10186	0.5
89.06028	0.3
91.05482	2.7
93.07045	8.2
95.04989	1.1
95.08609	7.9
97.02889	0.5
97.06537	0.8
97.10200	0.3
99.04489	0.4
105.04491	0.3
105.07042	2.5
107.04951	1.0
107.08592	5.5
109.06551	0.2
109.10168	2.2
111.04504	0.3
111.08054	0.3
113.09673	0.2
117.07023	1.4
119.08601	2.2
121.06522	0.8
121.10149	3.7
123.08059	0.3
123.11751	0.6
125.06036	0.3
128.19402	0.3
131.08583	0.8
133.10152	1.6
135.07916	0.2
135.11697	5.7
143.08630	0.2
145.03728	0.2
145.10127	3.9
147.11684	0.7
149.13254	0.9
159.11714	0.5
161.13289	0.5
163.11186	6.7
163.14876	0.4
171.11765	0.3
173.13275	0.6
175.14819	0.3
181.12215	1.0
187.14828	0.4
227.12790	12.8
243.21185	0.9
257.11108	0.2
261.22180	2.4
275.20197	0.3
283.15405	6.4
317.24847	0.6
335.25821	8.4
421.24042	0.2
487.34396	0.2
515.37970	0.2
525.35596	0.4
543.36761	5.9
561.39752	100.0
562.40070	0.9
581.63086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09679	2.0
53.03934	7.0
53.04176	2.1
55.01862	6.1
55.05515	21.6
56.35180	2.2
57.03450	12.9
57.07082	2.9
65.03948	3.5
67.05505	74.6
69.03423	4.3
69.06762	2.3
69.07069	19.2
71.05001	3.9
79.05495	58.3
81.03419	5.6
81.07057	77.1
83.04976	7.6
83.08619	16.2
84.04475	2.2
89.06031	2.9
91.05489	36.9
93.06475	3.7
93.07048	69.3
95.04971	11.9
95.08608	65.7
97.02885	4.6
97.06520	8.9
97.10188	2.5
98.20727	5.4
99.04444	4.0
102.23035	2.1
102.74804	2.2
103.05437	3.0
105.04424	2.3
105.07042	27.5
107.04953	11.7
107.08598	46.4
109.06506	3.2
109.10161	25.5
111.08097	2.3
115.05471	2.4
117.07015	17.0
119.06334	2.3
119.08586	22.6
121.06497	7.5
121.10141	34.1
123.08038	4.7
123.11701	8.5
125.05991	3.0
125.09650	3.3
129.06982	4.0
131.08580	20.0
133.10130	17.2
135.08069	4.6
135.11696	47.9
142.35310	2.3
143.08545	4.2
145.10126	37.9
147.11674	9.1
149.09584	2.7
149.13249	10.1
159.11684	6.2
161.13280	6.6
163.11198	52.9
165.12794	2.9
171.11688	2.2
173.09627	3.9
173.13263	5.8
175.14749	2.2
181.12204	8.9
187.14796	3.8
191.10690	3.2
209.11595	4.0
227.12790	85.6
234.31544	2.4
239.04436	2.2
243.21054	6.1
253.76572	2.4
261.22177	21.7
275.20038	3.4
283.15436	50.4
293.20956	2.9
317.24680	7.9
335.25806	100.0
335.29877	4.8
353.58893	2.4
373.26880	2.2
437.36444	2.8
451.31870	4.0
467.73907	2.9
525.35266	5.0
543.36835	78.8
561.25757	2.5
561.38605	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.2
55.01861	7.3
55.05510	26.5
57.03432	10.1
57.07077	2.9
65.03928	5.5
67.05508	77.8
69.07068	20.8
71.04978	5.9
71.55089	2.7
74.90012	2.5
79.05067	4.4
79.05501	63.5
81.03401	3.9
81.07057	79.1
83.04979	9.2
83.08621	16.6
85.02927	2.9
85.06523	3.5
91.05486	40.6
93.07049	84.8
95.04940	12.8
95.08607	68.5
97.02885	2.7
97.06522	8.1
97.10160	4.2
99.04410	3.3
99.08067	3.5
101.05362	2.2
103.05465	2.8
105.04543	2.6
105.07037	28.5
107.04961	12.7
107.08602	49.1
109.06483	4.7
109.10183	19.8
111.04431	6.4
117.06993	16.9
119.08591	25.4
121.06506	6.1
121.10143	34.7
121.10950	4.4
123.08062	4.0
123.11712	9.8
125.05977	4.6
129.06995	5.7
131.08568	16.3
133.10150	17.4
135.11700	60.8
137.13162	2.4
139.11171	3.7
143.08559	4.2
145.10132	43.2
147.11739	13.5
147.12630	2.3
149.09602	3.3
149.13223	8.7
153.05412	2.6
153.12814	3.0
157.09991	2.8
159.11690	5.9
161.13315	5.3
163.11194	54.4
163.14893	2.7
165.12712	2.4
173.09604	3.6
173.13223	6.2
177.16563	3.0
180.97214	2.8
181.12245	10.1
187.14803	2.9
195.12227	2.5
209.11743	3.7
212.97519	2.4
227.12790	100.0
243.21173	4.1
261.22171	23.1
265.14499	4.5
267.15744	2.4
275.20071	2.9
283.15402	47.2
292.28946	2.8
317.24759	10.7
335.25797	94.2
469.33295	3.8
491.36487	2.8
525.35663	4.9
529.38794	3.6
543.36823	76.7
561.38470	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01871	4.7
55.05514	14.5
57.03439	8.5
57.07072	3.9
61.02937	1.1
65.03939	3.5
67.05510	46.9
69.03434	1.6
69.07064	18.3
71.04988	4.8
71.41836	1.9
77.36435	1.1
79.05064	2.2
79.05499	37.9
81.03418	1.8
81.07061	96.3
81.88850	1.1
83.04993	5.6
83.08615	9.5
85.02880	1.3
85.06541	5.0
87.47797	1.1
91.05486	57.9
93.06474	2.1
93.07055	40.0
95.04969	4.6
95.08614	34.6
95.09130	0.8
95.09224	1.5
97.06529	7.8
97.10184	3.3
99.04501	1.0
99.08107	5.1
101.06007	1.1
103.03925	1.4
103.05506	1.5
105.04551	1.4
105.07037	75.7
107.04967	1.3
107.08605	29.2
109.06493	6.3
109.10180	6.2
111.08071	2.6
111.18838	1.1
113.06020	1.3
117.07018	10.8
119.08591	65.7
121.10160	31.1
123.08073	4.3
123.11720	26.2
127.07549	2.5
129.07024	9.1
131.08566	17.5
133.10143	28.6
135.11694	13.3
137.09653	1.6
137.13278	2.3
141.07004	1.3
143.08542	7.1
145.10139	15.9
147.11696	100.0
148.35051	1.2
149.09633	2.1
149.13258	9.1
157.10172	10.3
159.11702	10.1
161.13274	28.9
163.11128	2.6
163.14886	3.2
165.12758	27.4
171.11700	9.3
173.13281	8.5
175.11188	3.3
175.14861	13.7
177.12689	1.7
183.11896	1.0
183.13824	4.4
184.07257	1.4
185.13286	10.2
187.14835	3.8
189.12788	1.5
193.12311	1.8
197.13327	1.7
199.14833	4.0
213.16385	2.4
217.19510	1.8
229.14345	8.3
231.21062	6.3
241.19519	32.3
257.18872	1.1
259.20593	64.5
267.15930	49.3
275.19986	2.5
275.57144	1.3
277.21616	7.0
285.16965	58.4
315.23251	5.7
333.24249	43.5
344.85629	1.0
349.23642	1.5
351.25366	4.0
416.62335	1.2
423.32260	1.6
451.32138	2.8
469.33258	3.0
515.37390	2.4
525.35925	7.6
543.36798	28.1
547.92926	1.3
561.38300	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	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
54.27716	0.3
55.01873	0.4
55.05508	2.4
57.03424	1.2
57.07068	0.7
58.34916	0.4
59.93668	0.3
67.05169	0.6
67.05508	8.4
69.03452	0.4
69.07057	2.4
69.42482	2.9
71.04987	1.1
71.08618	0.4
78.41693	0.4
79.05498	7.5
81.07062	8.7
83.04945	0.6
83.08623	2.3
91.05476	3.3
93.07050	9.6
95.04969	1.3
95.08613	9.1
97.02903	0.6
97.06542	0.6
97.10183	0.7
98.20776	0.8
99.04477	0.6
104.23006	0.4
105.07028	3.1
106.59467	0.3
107.04961	1.6
107.08603	7.0
109.06557	0.5
109.10145	2.7
117.07030	2.3
119.08592	3.6
121.06512	1.1
121.10165	3.7
123.11716	1.0
130.07782	0.4
131.08577	1.4
133.10155	1.9
135.11688	8.1
139.07538	0.5
145.10144	5.6
147.11723	1.0
149.13280	1.3
159.11717	0.8
161.13388	0.5
163.11177	8.6
163.14856	0.7
173.09602	0.4
173.13272	0.6
175.14841	0.5
181.12263	1.5
185.13226	0.3
187.14844	0.4
188.28386	0.4
191.29404	0.3
199.11815	0.3
227.12782	14.1
243.21118	0.7
261.22128	3.1
275.20114	0.5
283.15390	9.0
301.01251	0.4
317.24756	1.2
335.25806	11.8
335.29889	0.6
435.93750	0.4
543.36841	7.4
561.39758	100.0
562.40137	0.7
578.30579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
53.17933	2.5
55.01869	3.8
55.05524	19.5
57.03427	10.8
57.07068	2.4
59.23639	2.3
59.52507	2.6
65.03915	3.0
65.49255	2.5
67.05508	52.6
69.03450	2.4
69.07066	19.9
71.04979	6.2
71.56802	3.5
73.02911	2.8
79.05073	3.1
79.05500	44.9
81.03431	3.6
81.07061	100.0
83.04982	8.1
83.08631	13.8
85.02913	3.2
85.06534	7.3
91.05489	60.0
93.07050	47.5
95.04950	5.6
95.08050	3.5
95.08607	34.6
97.06547	7.0
97.10175	4.1
98.97604	3.4
99.08074	4.5
105.07037	70.0
107.08605	30.2
109.06549	4.5
109.10160	8.1
111.08074	2.9
117.07012	15.0
119.07797	4.3
119.08591	62.2
121.06552	2.8
121.10152	35.2
122.16134	2.7
123.08062	5.4
123.11723	29.4
127.07584	3.4
129.07013	6.5
131.08580	20.9
133.10135	30.2
135.11664	13.9
137.13258	4.0
143.08543	8.2
145.10143	16.7
147.11693	87.7
149.09543	3.2
149.13249	8.5
157.10114	10.5
159.11703	13.6
161.13274	25.0
165.12772	32.0
171.11699	8.0
173.13283	7.9
175.11201	4.6
175.14803	12.3
183.13684	3.1
185.13251	7.9
193.12215	4.1
199.14799	4.7
201.16467	3.2
207.37885	2.6
213.16417	3.1
215.17957	2.8
219.01843	4.7
229.14355	7.3
231.21008	3.0
237.02727	6.5
241.19554	26.6
243.21013	3.9
257.18924	2.6
259.20590	65.0
267.15952	29.3
275.20111	4.7
277.21613	7.4
279.04047	3.9
285.16971	61.8
292.82309	2.9
315.23138	5.7
333.24243	44.5
351.25244	4.8
407.36700	4.9
426.91299	2.5
451.31912	4.6
469.32898	5.4
481.08438	9.0
525.35461	7.3
543.36731	24.1
561.38721	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	561.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01872	0.7
55.05514	5.6
57.03431	2.5
57.07074	1.3
59.05001	0.7
65.03947	0.8
67.05506	16.2
69.03438	0.6
69.07071	4.3
71.04991	2.4
71.05412	0.5
71.05782	1.0
71.08624	1.5
79.05497	12.7
81.03448	0.5
81.06583	0.8
81.07061	15.6
83.04996	0.9
83.08623	3.4
85.10191	1.2
89.06023	0.7
91.05495	6.6
93.07048	16.0
95.04977	1.8
95.08612	17.1
95.21596	0.6
97.02910	0.5
97.06519	1.2
97.10172	0.7
99.04466	0.6
105.04519	0.6
105.07034	5.1
107.04981	1.5
107.08597	10.3
109.06544	0.8
109.10151	3.6
115.05447	0.6
117.07011	3.4
119.08579	5.8
121.06500	1.8
121.10139	6.1
123.11704	2.3
125.06049	0.8
130.07797	0.5
131.08592	2.8
133.10124	3.6
135.08051	0.9
135.11703	10.2
137.13237	1.0
143.08607	0.7
145.10118	7.7
147.11703	1.7
149.13297	1.5
159.11707	2.6
161.13280	1.5
163.11201	10.4
163.14822	0.8
173.13272	0.9
181.12297	2.6
183.13828	0.8
209.11829	0.7
227.12796	21.9
243.21072	1.1
261.22150	4.9
275.37976	0.5
283.15454	7.8
317.24850	1.5
335.25781	20.5
369.42374	0.6
469.32880	0.6
517.39075	0.7
529.39093	1.1
543.36816	10.8
561.39771	100.0
562.39917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05297	0.7
55.05515	7.5
56.96560	0.7
57.03437	1.7
59.04996	1.1
65.03960	0.8
66.44096	0.7
67.05499	1.6
68.42560	0.7
68.99797	1.5
69.03432	2.7
69.33694	3.1
69.34120	3.4
70.06589	1.8
79.05495	1.2
81.03408	3.2
81.07035	1.5
83.04981	7.9
85.02896	3.4
86.09681	1.3
87.04459	0.9
91.05454	3.0
93.07053	1.4
95.08645	1.2
97.02922	1.8
97.45287	0.7
98.20661	1.6
101.06030	8.3
103.03952	1.4
103.05513	1.2
105.03361	1.1
105.07027	1.2
107.08633	0.9
109.02872	2.9
111.04458	7.2
119.04950	4.2
119.08604	1.0
120.08050	0.8
121.02872	8.2
127.03892	0.9
129.05479	1.7
133.02814	0.8
135.08058	1.0
137.05978	2.5
143.10611	0.8
145.02849	3.7
147.04340	0.8
149.02345	1.9
151.03865	1.0
161.05963	1.3
163.03914	3.9
165.01852	8.7
167.03481	3.9
167.07018	1.1
168.93161	0.9
175.03951	1.0
177.01813	2.3
177.05499	2.0
181.05016	0.9
183.02905	2.5
187.03854	1.9
189.01860	1.0
191.03426	1.4
191.14227	1.7
195.02853	3.3
199.03812	0.8
203.03522	0.9
205.04967	1.8
207.02809	1.5
211.07553	1.0
215.03348	1.4
229.04869	1.3
235.08191	0.9
239.07024	1.7
243.02914	1.2
251.06805	1.0
255.06407	1.3
258.95679	0.8
267.06516	10.6
270.05197	3.1
271.05957	5.2
273.04028	0.9
277.08636	1.3
279.06631	6.1
281.08093	10.7
283.06021	55.1
284.06808	10.6
285.07651	0.9
291.06479	3.3
293.08060	1.1
295.06009	24.4
295.09601	4.9
297.04089	0.9
297.07584	3.0
299.05368	0.8
305.08115	8.2
307.06030	6.2
308.06854	5.7
309.07565	27.9
311.05447	2.0
313.07071	100.0
319.06085	1.8
319.09384	1.1
321.07678	4.4
323.05475	1.8
323.09131	20.3
323.12863	1.3
325.07068	1.8
333.07547	10.7
335.05502	1.7
337.07062	41.2
339.04779	1.1
347.09039	1.3
349.06976	1.8
351.08731	3.6
361.07083	15.3
367.08118	2.8
375.08786	1.3
379.08154	87.3
387.08609	1.1
393.09659	2.2
397.09250	5.9
411.10382	1.5
415.10239	3.0
423.10910	1.6
439.10117	1.4
441.11621	3.0
465.11636	2.9
477.11807	1.0
489.11655	2.3
495.13135	1.1
507.13022	5.0
517.13391	1.5
525.13953	19.5
543.15021	19.0
561.15942	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	561.1608
Annotation	3'-Deoxymaysin
Peak:m/z	Relative Intensity
53.03934	1.8
54.22108	1.2
57.03430	2.9
61.02897	1.6
67.05470	1.8
69.49773	7.2
69.50182	2.9
79.05479	1.8
81.03405	3.0
85.02888	5.6
87.04458	2.2
91.05485	1.6
94.68946	1.4
95.04940	1.5
97.02880	1.6
99.09165	1.2
102.86926	1.4
103.05492	2.0
105.03397	20.2
107.04963	1.8
109.02901	1.7
121.02826	2.3
121.06489	1.9
127.03915	1.4
129.03358	2.6
137.05943	2.2
161.02315	1.8
165.01895	1.9
175.03941	3.8
176.23407	1.4
177.01828	4.2
179.03374	3.2
187.03828	1.8
189.01831	10.2
191.03381	5.0
195.02837	5.3
203.03395	16.4
207.02899	5.3
213.05492	1.5
215.03430	1.8
217.04900	6.5
219.02855	3.5
221.04416	2.5
229.04921	4.8
243.02785	2.4
251.07129	3.0
252.07829	6.3
255.03001	2.4
263.07010	6.5
265.08624	3.5
267.06537	16.2
273.03897	2.3
275.07062	1.7
276.07797	1.6
277.08594	4.5
278.05737	14.4
279.06534	100.0
280.07315	9.5
280.10043	1.9
281.04849	2.1
281.08078	20.7
289.08527	1.6
291.06528	81.5
292.07312	14.4
293.04767	1.5
293.08005	22.3
295.05893	2.9
296.06989	1.7
297.07544	3.9
301.08551	3.0
303.06641	12.2
303.09930	2.4
304.07315	6.6
305.08090	49.2
306.05450	2.5
306.08865	9.2
307.05920	8.0
307.09598	5.8
308.06952	2.0
309.07590	69.4
310.08163	4.1
313.08405	2.6
316.07358	2.4
317.08032	9.3
318.05161	1.7
319.05930	7.5
319.09637	26.7
320.06824	6.3
321.07584	51.7
323.08942	1.7
329.07962	5.3
330.09061	2.3
331.06015	3.4
331.09662	12.3
333.07547	43.0
333.11462	2.6
334.08325	3.9
335.09125	16.9
337.06964	11.7
339.08582	2.5
343.09579	1.4
344.06894	2.9
345.07599	18.7
346.08328	2.1
347.09149	21.6
349.07071	6.8
349.10834	3.9
351.08655	4.8
357.07617	14.2
359.09100	9.0
361.06909	9.3
361.10910	2.1
362.07767	3.7
363.04437	1.2
363.08661	20.4
365.10352	2.9
369.07620	7.7
371.09106	3.0
373.10660	4.0
374.07605	1.9
375.08646	52.2
377.10291	6.5
379.07864	3.4
387.08490	14.8
393.09668	61.5
393.51968	1.4
399.09515	3.0
401.10089	3.6
403.07962	4.4
405.09702	20.1
411.10864	20.0
413.10211	1.6
417.09851	2.9
421.09320	2.5
423.05240	2.2
423.10730	33.7
429.09647	2.6
435.10971	2.1
441.11819	49.7
443.11197	2.6
445.08694	1.9
447.10736	16.4
453.09439	2.1
459.10873	11.3
465.11844	55.0
471.10995	6.9
477.11835	21.7
481.11151	1.7
489.11749	24.7
495.12750	18.7
507.12885	26.4
525.13928	42.2
543.15045	18.9
561.15826	3.2
561.29230	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	560.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61684	9.2
55.01871	14.7
55.05503	33.2
57.07075	23.2
67.05513	87.3
69.03437	14.1
69.07064	33.6
71.05003	12.0
71.08614	29.0
71.56296	14.4
73.02970	8.5
77.58694	8.3
79.05494	68.9
80.05811	13.0
81.07066	100.0
82.07382	13.0
83.08638	18.4
85.10149	10.9
87.04452	12.2
88.66319	9.2
89.06049	44.4
91.05490	51.2
91.36285	11.5
92.05818	12.6
93.07036	63.7
94.07370	9.5
95.04955	8.6
95.08617	58.5
97.02884	9.5
97.06509	21.5
105.07014	56.8
106.07382	9.7
107.08593	44.2
109.06501	10.3
109.10171	37.3
117.07027	17.4
119.08604	35.2
121.10159	39.9
123.11716	33.1
125.09677	10.8
131.08560	23.5
133.08606	24.7
133.10155	26.1
135.11693	22.8
143.08560	9.8
145.10152	22.2
146.10440	12.5
147.11732	35.6
148.12042	12.6
149.13257	19.4
154.94218	17.3
159.11688	18.5
163.14830	13.1
165.12802	13.7
172.95157	11.5
184.00066	9.5
219.21852	9.2
228.97765	12.4
243.21140	24.5
257.19135	12.4
261.22220	68.6
261.34744	10.2
267.15927	16.7
268.16336	18.5
275.19995	16.9
276.20404	17.9
291.19644	20.8
292.19800	25.5
335.25858	14.4
353.26770	44.3
473.19672	38.1
542.35870	10.2
553.91064	12.6
560.36700	90.3
561.34821	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	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.5
55.05516	26.0
55.19465	2.6
57.03445	15.5
57.07075	5.0
57.51479	2.5
65.03941	4.8
67.05506	81.0
69.07070	20.0
70.03648	6.2
70.04053	8.5
70.49889	2.8
71.04994	5.0
71.08618	6.1
76.12868	2.6
79.05492	88.4
81.03412	9.5
81.07059	85.8
81.07523	6.4
83.04997	14.5
83.08612	12.2
84.08106	2.7
85.06525	3.3
85.10168	3.2
89.05991	4.4
91.05487	76.8
93.07048	100.0
93.07636	5.7
95.04961	17.3
95.08604	59.0
95.09164	4.5
97.06565	4.8
97.10154	6.1
105.07031	50.0
107.04951	5.2
107.08586	33.9
109.06508	4.4
109.10162	14.6
111.08096	3.5
117.07011	15.2
119.08591	26.0
121.10158	19.0
123.08055	5.4
123.11675	5.7
126.96926	3.0
128.06313	3.1
129.07008	11.2
131.08559	15.8
133.10130	21.2
135.11700	12.7
137.60052	2.8
143.08557	13.8
145.10135	22.2
147.08127	4.5
147.11679	32.6
149.13284	7.8
151.12222	2.6
151.17485	2.8
157.10133	3.7
159.11702	7.5
161.09557	4.4
161.13242	14.5
163.14874	4.5
169.10028	4.1
171.11685	25.9
173.13319	6.3
183.11673	3.3
189.12779	11.0
207.13783	25.8
243.21184	4.2
261.22241	13.7
279.15869	4.0
281.14319	3.8
281.17474	75.8
335.25812	29.6
501.37366	6.0
541.38855	92.1
559.38251	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.0
55.01880	8.1
55.05515	16.9
57.03437	4.5
57.07082	10.1
61.02925	5.7
65.03928	1.2
67.05510	27.2
67.05875	1.3
68.94038	0.7
68.99796	2.3
69.03433	26.6
69.07072	45.9
71.04996	3.2
71.08644	4.7
71.99514	0.7
73.02913	5.1
79.05486	8.5
81.02978	1.6
81.03424	20.0
81.07063	74.6
83.04987	1.1
83.08627	27.0
85.02911	66.0
85.06552	9.0
85.10180	2.9
87.00836	29.1
87.04519	0.8
91.05491	5.4
93.07058	15.3
95.04988	2.3
95.08616	100.0
97.02903	21.8
97.06537	1.7
97.10179	21.1
98.21489	2.0
99.04463	9.4
99.08099	6.3
101.02389	0.8
105.01879	24.4
105.07036	5.4
107.08610	16.5
109.02890	18.5
109.06537	2.1
109.10163	56.6
111.04464	2.2
111.08092	2.4
111.11730	16.7
113.09676	1.4
115.03928	1.9
117.01841	2.1
117.07050	1.2
119.08614	5.1
121.10162	9.0
122.26886	0.7
123.08122	1.1
123.11720	27.4
125.13275	7.7
127.03928	42.2
127.11201	2.7
129.01816	2.1
129.06996	1.0
129.12787	3.5
131.08592	1.4
133.10150	2.5
135.11710	10.6
137.06099	0.9
137.09671	0.8
137.13268	17.1
139.11186	0.9
139.14853	2.3
143.14330	8.1
145.04974	14.9
145.10156	2.4
147.11726	2.2
149.13280	22.8
151.14827	26.7
151.16048	1.4
157.10120	1.0
157.15866	2.9
159.02927	8.7
159.11748	1.5
161.13269	1.9
163.14827	11.3
165.09111	1.0
165.16409	14.7
167.14334	1.0
169.15933	2.6
175.14674	1.2
177.16357	4.0
179.17940	7.6
183.17503	2.9
185.13234	1.4
187.06088	1.1
189.03880	1.9
189.12682	1.0
191.17979	3.5
193.19554	3.4
197.19012	1.9
199.20555	1.4
205.19513	2.7
211.20610	2.4
213.03941	2.4
219.21120	4.3
223.20702	1.4
229.54088	1.0
231.04999	9.1
233.22708	1.0
235.24207	0.9
237.22296	1.7
249.25734	7.3
267.26828	9.9
275.27350	17.5
281.28317	2.0
291.26953	1.5
293.28409	34.9
303.26968	1.1
311.29462	49.9
317.28409	1.6
335.29413	2.0
347.29349	0.9
359.29605	1.3
377.30585	1.2
383.29489	4.5
401.30637	6.1
419.31778	2.6
470.77719	0.9
487.30563	2.3
499.29514	1.1
505.31479	3.5
523.32526	1.8
559.27789	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.8
55.01864	6.8
55.05510	14.5
57.03421	5.8
57.07082	9.0
61.02920	4.4
67.05172	1.9
67.05508	22.9
68.99786	2.3
69.03125	2.0
69.03432	20.9
69.06721	3.1
69.07067	41.2
70.06586	3.7
71.04984	5.2
71.08633	4.7
71.26469	3.0
73.02909	6.9
79.05491	9.9
81.03425	17.0
81.06580	3.7
81.07060	75.2
83.04987	3.6
83.08197	2.6
83.08626	23.3
84.04525	1.7
84.08138	2.2
85.02906	59.1
85.06542	9.5
86.09702	2.2
87.00826	20.6
91.03939	2.6
91.05488	8.3
93.07045	14.2
93.71354	1.7
95.04967	2.7
95.08611	87.7
97.02898	23.0
97.06533	3.9
97.10168	18.3
98.97610	3.8
99.04451	7.2
99.08090	6.5
105.01865	22.6
105.07037	10.0
107.04990	1.7
107.08606	16.4
109.02202	2.3
109.02888	16.6
109.06490	3.3
109.10160	48.0
111.04430	3.7
111.08081	4.6
111.11726	15.2
111.73360	1.7
113.09644	3.4
116.01706	1.7
117.01836	2.7
119.08588	6.3
121.02855	2.2
121.06489	4.1
121.10175	8.4
123.11720	23.1
125.09557	1.9
125.13260	7.2
127.03916	33.1
127.11244	3.6
129.01808	3.2
129.12787	2.8
131.04945	2.1
131.08553	5.0
133.10126	4.1
135.11685	9.7
137.05984	5.9
137.13275	12.6
143.08537	2.9
143.14323	6.4
145.04980	15.0
145.10127	2.9
147.11681	3.1
149.09622	2.2
149.13261	18.2
151.14844	24.2
157.10083	2.5
157.15857	4.0
159.02921	5.5
159.08063	2.1
159.11659	2.5
163.14799	9.1
164.07079	2.8
165.16422	11.5
175.07660	2.1
175.14822	2.1
177.05501	1.9
177.16495	3.6
178.08743	3.2
179.17957	6.2
183.17511	1.8
187.06039	2.3
187.07542	2.4
193.19550	2.1
197.49486	2.1
201.07823	3.2
202.08641	9.4
205.19543	3.8
216.10237	5.0
217.12247	1.9
219.21118	2.9
230.11858	10.0
231.05048	5.8
243.11281	2.1
245.13103	1.9
249.05914	2.2
249.25822	5.9
267.26926	8.7
270.08813	1.6
275.27371	18.5
281.28455	1.7
285.11255	3.3
293.28384	29.8
299.59717	1.8
307.06195	1.9
311.12732	1.8
311.29462	41.3
321.07623	2.7
337.10748	3.4
377.30045	2.3
379.16663	2.7
383.29388	3.1
401.30511	6.2
409.09070	2.3
419.31622	2.5
463.09714	3.0
469.42554	1.7
487.30508	2.6
505.31665	2.7
515.21753	3.6
523.32422	2.1
559.20337	4.3
559.27869	100.0
566.16791	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01863	5.3
55.05507	7.0
56.96557	2.4
57.03441	49.9
59.04987	5.7
61.02925	13.7
67.05498	5.8
68.48567	1.6
69.03410	9.6
69.07059	4.3
70.06590	8.2
71.04988	6.5
71.57525	2.5
75.04491	3.1
79.05499	9.6
81.03429	16.4
81.07051	10.6
83.04983	7.1
84.08151	5.2
85.02916	22.1
85.06526	3.5
86.09697	3.7
91.05492	13.6
93.07037	7.5
95.04968	3.8
95.08602	6.0
97.02896	5.6
97.06508	3.9
97.65321	2.2
98.97567	3.9
99.04459	39.6
103.03950	21.9
103.05472	4.9
105.07036	21.2
106.38400	1.7
107.04955	5.4
107.08582	7.4
109.02890	28.5
109.06538	5.8
109.10151	2.6
111.04497	2.1
111.08092	4.1
113.06093	1.8
115.05456	6.1
117.05502	100.0
117.06920	3.6
119.04956	6.6
119.08588	5.4
120.08081	4.3
121.02876	11.9
121.06478	6.0
121.10123	2.5
122.03648	5.6
122.70223	2.4
125.06061	4.7
127.03932	44.2
128.06252	3.4
129.06993	7.4
131.04907	6.3
131.08496	2.4
132.05722	3.3
133.06531	9.9
133.10075	4.3
135.04431	3.6
135.08046	2.4
135.11684	1.9
137.05986	65.9
143.04927	3.3
143.08566	2.3
145.04993	2.3
145.06487	2.7
145.10123	3.4
147.04425	4.6
147.08005	5.3
147.11691	3.6
149.05963	5.8
151.07556	4.5
155.04883	3.5
157.06551	3.0
157.08629	18.4
158.02756	2.3
159.04379	2.5
159.06644	2.1
159.08066	7.5
161.06007	28.1
161.09586	2.8
163.07584	3.9
165.12691	2.2
167.06999	3.3
171.04422	2.1
172.05232	3.8
175.03935	2.3
175.07558	22.1
177.05516	2.5
177.09132	2.1
178.08655	2.8
183.06516	5.2
187.06036	3.6
187.07527	25.5
189.01813	2.4
189.07011	2.6
189.09071	6.0
189.16193	2.1
190.07733	4.3
191.08595	17.4
193.06468	2.3
193.12186	2.5
199.07545	29.4
201.05733	3.1
201.07600	46.8
202.07846	3.1
203.08527	6.8
206.07341	2.1
207.02806	2.1
207.06493	5.0
207.08098	5.3
211.07538	2.5
215.08640	3.8
217.12181	3.1
218.07256	6.6
219.08145	32.1
220.08858	3.7
221.09654	3.9
231.08051	7.8
232.08820	2.3
233.09590	5.5
235.07513	8.0
235.13284	3.2
236.08313	6.5
237.02911	3.0
246.06914	2.4
247.02434	3.2
247.07607	15.0
248.08377	5.5
249.08994	5.9
250.09698	2.3
251.10724	35.0
253.08621	3.4
253.14326	4.4
259.07523	5.3
260.08304	2.2
261.09091	6.1
262.09998	2.9
263.07126	6.2
263.10687	6.0
264.07797	6.5
267.06204	2.9
267.10107	3.7
276.07907	4.3
277.08585	3.9
278.09250	4.5
279.10147	40.3
280.10852	2.7
283.06027	4.4
283.13458	2.9
290.09390	4.5
291.10184	18.7
293.08310	2.5
293.11725	3.1
295.06061	18.3
295.09256	2.7
296.10406	17.6
299.05270	2.6
307.06027	8.4
307.09671	15.3
308.10471	8.4
309.03915	6.7
309.07526	4.4
309.11166	20.0
310.12000	47.0
311.05392	5.7
311.12784	93.2
313.07126	2.9
317.11536	3.1
321.07547	6.4
321.11200	9.6
322.12006	30.6
323.05557	8.5
323.09116	3.2
323.12732	20.4
325.07019	7.7
333.07480	3.0
335.05469	17.7
335.09048	4.0
335.12631	3.9
337.07013	6.1
337.14417	2.6
339.04770	3.6
349.06976	5.7
349.14255	11.5
351.08759	2.8
352.13046	3.9
353.14053	2.7
361.06952	4.7
363.08640	3.2
365.06546	21.3
367.15472	7.4
379.08197	4.2
385.16501	62.8
389.06436	5.7
391.07910	5.3
397.16547	8.7
409.09164	12.6
421.09277	7.8
439.10101	12.3
463.10306	11.9
467.09869	9.3
475.10382	2.4
485.10739	7.4
493.11658	4.5
493.18472	7.9
505.11166	7.2
523.12250	11.3
541.13245	13.0
541.21429	3.2
559.14020	3.5
559.29138	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.03458	1.3
61.02934	1.8
69.03439	12.8
69.25048	5.2
69.25471	5.4
71.04995	2.9
81.03424	2.8
85.02914	3.3
85.43053	1.2
103.03983	2.2
109.02868	2.8
109.24348	1.2
119.04953	6.9
121.02872	21.9
127.03905	1.1
134.19408	1.1
145.02840	1.9
146.43188	1.1
147.04291	1.4
161.02402	1.4
165.01982	1.3
177.01758	3.0
177.05463	1.9
179.03442	1.5
186.86034	1.2
189.01845	4.6
190.99739	1.5
191.03473	1.7
193.01373	4.5
195.02925	5.1
199.23512	1.1
203.03404	4.5
205.01352	5.2
207.02977	4.0
209.00902	3.3
217.01236	1.6
217.05023	1.8
221.00902	1.5
223.02460	4.5
233.04436	1.2
235.02364	1.5
239.01819	2.6
255.06363	1.3
256.07315	1.3
267.06613	1.6
268.07333	3.3
279.06445	2.3
283.05954	11.4
284.06931	5.5
293.04224	1.5
293.08209	1.3
294.05170	3.3
295.06036	51.2
296.03537	1.7
296.06787	4.3
297.04248	2.5
297.07605	5.3
299.05365	1.5
307.06000	21.9
308.06744	3.0
309.04016	43.0
309.07541	6.6
311.05505	24.7
313.07175	7.4
321.03946	6.2
321.07654	8.7
322.04712	3.6
322.08224	1.6
323.05569	18.0
323.09216	2.8
324.06302	1.5
325.07080	41.0
327.05228	1.6
333.07538	1.4
335.05832	8.5
335.08795	8.5
337.07059	10.5
339.05035	27.2
339.08707	4.3
341.06586	19.9
345.07611	1.6
347.05396	2.5
347.09238	4.6
349.07053	15.2
351.05032	9.2
351.08435	6.6
353.06689	14.0
355.08133	1.6
361.07028	5.9
363.04794	4.1
363.08676	6.4
365.06519	3.4
365.10300	8.9
367.04300	1.5
367.08380	1.9
369.06165	9.7
375.04776	2.3
375.08893	2.3
377.06381	8.5
377.10568	1.5
379.04147	2.8
379.08228	4.5
381.09711	1.5
383.07883	2.2
389.06049	3.0
391.08258	10.5
393.05344	2.5
393.09808	7.6
395.07382	1.6
397.09692	1.4
403.08133	1.9
405.06003	4.6
407.07642	2.9
409.09326	11.3
411.10837	5.1
417.09906	2.1
421.09244	12.9
423.06998	2.7
427.10168	2.3
429.08511	1.8
437.08539	3.4
439.10260	87.9
440.10410	2.3
441.08191	2.1
447.10822	1.4
453.08005	3.1
455.09439	3.6
463.10281	10.7
465.11768	1.7
469.10748	1.3
471.09290	3.0
475.10196	3.2
477.11523	1.9
487.10190	2.7
493.11319	5.3
495.12863	7.8
505.11209	6.4
513.14050	14.4
523.12390	22.7
541.13440	100.0
559.14471	32.1
559.29199	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
57.03434	1.8
65.03966	1.0
69.03429	5.9
70.14287	2.8
70.42506	0.8
81.03431	1.4
83.67100	0.9
85.02908	3.3
91.05441	1.2
93.03416	0.8
97.02895	0.8
98.21413	1.1
99.04438	1.1
101.99858	0.8
109.02885	2.7
119.04961	7.1
121.02873	39.2
145.02864	1.5
147.04413	1.1
149.33472	0.8
161.02341	2.4
163.03935	1.1
165.01845	2.1
173.02351	0.9
174.15439	0.7
175.03870	1.3
177.01851	4.7
187.03894	1.2
189.01842	2.8
190.99724	1.5
191.03387	1.0
193.01343	2.4
195.02867	4.4
199.03905	1.1
201.01785	0.8
203.03354	4.8
205.01361	6.1
205.04933	0.9
207.02962	2.6
209.00818	3.9
211.02306	1.2
215.03333	1.0
217.01366	2.2
217.05013	3.0
219.02922	5.8
221.00803	1.9
221.04483	1.9
223.02419	3.1
227.03415	1.3
229.01344	1.5
229.05003	0.9
231.02776	1.7
233.00917	0.9
233.04449	2.2
235.02440	3.1
243.03000	1.9
245.04532	0.9
247.02307	0.8
249.03967	1.3
250.46385	0.8
255.02927	2.4
259.02484	2.1
259.05994	1.7
261.00394	2.5
261.03818	1.0
267.06601	2.4
268.07269	1.5
269.00821	1.0
269.04285	1.0
270.05136	1.0
271.02444	2.8
271.05978	1.0
273.04034	1.7
273.07541	0.7
275.01773	1.1
279.01498	1.5
279.06677	3.6
281.07986	0.8
282.05307	2.0
283.02859	1.3
283.05975	11.4
284.06848	1.9
285.03906	4.7
289.03348	1.1
290.74976	0.8
291.06613	0.8
294.05264	2.7
295.06027	69.8
296.06702	2.2
297.03964	1.3
297.07520	2.0
299.05521	2.5
301.07022	2.1
303.05014	1.5
305.08136	1.0
307.06009	10.4
308.06866	3.8
309.04004	50.7
309.07571	7.8
310.04587	1.4
311.05521	18.9
313.07053	3.3
317.08276	1.2
319.06149	1.2
320.06635	1.1
321.03986	2.9
321.07623	10.4
322.08572	2.3
323.05588	25.4
323.09161	3.2
325.07025	12.8
327.05197	4.3
331.06003	1.1
333.04068	1.0
333.07626	2.3
335.05490	8.6
335.09229	10.7
336.06219	2.1
337.07062	12.4
337.10696	1.4
339.05020	14.2
339.08789	2.5
341.06531	5.1
343.08389	1.3
345.07697	1.7
347.05521	1.6
349.03323	1.7
349.07053	12.5
349.10861	1.2
351.04889	3.9
351.08749	6.3
353.06470	4.0
361.07074	7.9
361.10834	1.2
363.04904	2.4
363.08673	6.1
365.06525	6.3
365.10410	2.1
367.04437	1.6
369.05692	0.8
371.05161	1.0
373.07004	5.3
375.04791	2.0
375.08810	1.2
377.06580	6.2
378.07382	0.9
379.08218	5.4
381.05551	1.7
381.10010	4.5
387.04987	1.0
389.06387	7.8
391.08011	6.5
393.05865	2.5
393.09842	2.4
397.09445	1.8
401.06311	1.2
405.05820	1.6
407.07614	2.4
409.09207	100.0
417.05975	2.2
419.07413	1.0
421.09195	17.1
431.11203	1.4
435.11179	3.6
437.09018	1.4
439.10278	58.2
445.05353	1.1
449.12805	3.9
459.10773	1.9
463.10287	77.2
464.10474	1.2
469.09009	1.2
475.10562	5.9
477.12256	3.6
487.03891	1.0
487.10336	14.6
493.11340	45.4
505.11325	36.6
523.12408	45.0
541.05518	1.4
541.13416	19.2
585.85315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.5
56.96563	2.0
57.07080	18.2
59.05008	1.8
61.02919	2.5
67.05512	2.6
69.07063	5.9
71.08635	36.7
71.56078	1.4
73.06568	7.7
79.05486	2.2
81.07050	2.1
81.93993	1.2
83.08631	1.9
85.02930	1.3
85.10189	21.5
87.04477	6.7
89.06038	100.0
90.30666	1.3
91.05481	2.0
92.05847	1.6
93.07036	2.3
105.07061	1.9
107.07088	2.4
107.08574	1.3
117.09145	7.5
127.14851	5.5
130.08647	3.2
131.07066	1.8
133.08617	51.1
137.06000	1.7
146.25053	1.4
171.17430	5.3
175.09686	1.5
177.11238	24.3
184.07391	1.8
212.19965	1.5
215.20049	13.2
221.13921	6.5
222.20999	1.5
245.51692	1.4
259.22729	6.9
265.16422	1.7
269.10562	2.1
283.17383	1.8
327.19870	1.8
371.23001	1.4
376.95560	1.5
415.25519	6.5
460.61664	1.7
479.29639	1.6
541.39594	11.6
558.41992	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	557.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75879	1.3
55.05519	2.5
57.03433	3.9
57.07079	100.0
58.04240	6.9
58.61511	1.2
59.04716	1.8
59.05005	28.7
62.13426	1.2
67.05495	3.7
69.07060	3.4
71.04395	2.4
71.04988	2.7
71.08635	78.7
72.05777	11.1
73.02908	5.4
73.06562	13.3
81.07039	5.7
82.07821	2.4
82.54301	1.4
83.08620	3.4
85.10185	60.5
86.07336	1.4
87.04471	12.3
87.08073	1.4
88.05253	2.3
89.06041	19.9
90.01921	40.3
95.08595	3.1
96.09389	2.3
97.10145	4.2
99.11742	12.5
101.06029	3.2
102.06821	1.5
103.07594	14.2
107.08560	1.3
109.10193	1.3
110.26189	1.2
113.13271	4.4
116.08352	4.0
117.09138	7.1
123.51369	1.4
124.12468	1.4
131.07019	2.6
133.08623	9.2
141.16331	4.0
147.10194	3.0
152.15619	3.2
155.17967	7.8
161.11766	2.8
165.11203	1.3
177.11250	3.5
178.07092	6.5
180.18642	1.6
183.17435	4.9
194.13809	1.6
199.20584	2.9
208.15453	2.5
212.21359	3.1
213.22101	8.0
222.09705	12.0
222.16963	4.0
223.15480	4.1
241.15074	1.4
252.18109	5.0
253.16499	4.8
257.24750	5.1
266.12369	3.2
268.17645	2.6
284.13275	1.7
310.22354	3.1
326.81491	1.5
328.15985	11.4
406.35306	15.0
422.34976	1.6
557.40717	8.6
557.52863	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	557.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41797	1.2
53.03938	2.2
55.01876	2.7
55.05514	15.0
57.03440	5.1
57.07087	3.1
59.05005	3.1
59.63812	1.4
65.03951	2.6
67.05508	32.9
69.07076	12.0
70.44496	4.8
71.05003	1.6
79.05496	29.1
81.03411	3.3
81.07059	35.8
81.07516	2.4
83.04981	3.0
83.08635	7.3
85.06541	3.8
86.59497	1.2
91.05486	29.3
91.06007	2.6
93.07043	31.0
95.04975	5.8
95.08611	25.1
97.06554	3.6
97.10180	4.6
99.08080	1.7
105.07044	29.3
107.04971	4.4
107.08607	13.5
108.64930	1.3
109.06490	1.6
109.10178	7.1
109.49435	1.2
111.08099	2.2
115.05424	1.7
117.07036	12.9
119.08587	20.6
121.06530	2.7
121.10156	9.9
123.08129	3.2
123.11742	1.5
125.09718	1.6
128.06207	3.2
129.07018	15.8
130.07800	1.3
131.08577	22.0
133.06491	1.8
133.10136	15.5
135.08084	1.5
135.11752	4.8
141.07033	5.2
142.07774	2.0
143.08568	20.5
145.06471	1.5
145.10123	21.6
147.08041	1.9
147.11684	13.8
149.09636	3.1
149.13234	2.8
155.08546	14.9
156.09386	1.9
157.10114	15.8
159.11714	13.1
161.09615	2.0
161.13271	8.2
163.11128	1.8
167.08612	5.8
168.09471	2.3
169.10126	17.5
171.08040	1.6
171.11696	17.2
173.13309	9.3
175.11342	2.0
175.14890	4.0
179.08640	2.6
181.10133	12.8
183.11707	13.0
185.13252	10.6
187.11258	1.6
187.14943	3.2
189.12773	3.2
191.14165	1.4
193.10139	2.8
195.11674	8.3
195.13527	1.3
197.13292	9.7
199.14839	7.4
207.11902	2.8
207.13908	3.7
209.13275	7.4
211.14893	6.5
213.12872	1.9
213.16437	5.6
215.18025	2.2
219.11690	1.4
221.13420	3.8
223.14842	6.6
225.16490	4.1
227.14388	1.4
227.17851	1.4
233.13264	1.8
235.14954	2.3
237.16493	3.9
241.19493	6.9
249.16466	1.9
259.20544	13.9
265.19614	1.8
279.16040	3.7
281.17380	8.1
297.22296	2.0
309.22192	1.6
311.20056	1.5
313.21469	1.7
321.22046	1.6
323.23865	3.5
329.71375	1.5
333.24289	5.3
335.23468	1.5
337.25293	1.7
339.23196	2.3
349.25250	2.2
353.24805	3.1
366.27100	1.5
379.26407	1.7
419.33203	2.2
429.31625	3.8
437.34149	8.9
447.32590	20.6
465.33759	21.7
483.34671	13.6
501.35791	4.1
503.35406	1.4
511.37808	2.2
521.36053	10.7
527.37537	2.0
529.39014	6.2
539.37354	100.0
557.38495	57.7
558.39172	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.1
55.01869	7.6
55.05273	2.0
55.05516	25.2
56.19893	1.4
57.03444	9.8
57.07080	12.4
59.05007	1.7
61.02926	5.0
65.03954	3.0
66.02036	1.3
66.85958	1.4
67.05509	42.3
68.99784	5.9
69.03434	63.9
69.06723	2.5
69.07073	39.8
69.07451	2.1
69.19437	12.4
71.04995	14.8
71.08632	8.1
73.02903	4.0
79.05491	18.0
79.67008	1.2
81.03425	66.9
81.07064	100.0
83.01354	1.8
83.04981	5.0
83.08630	25.4
85.02911	65.2
85.06544	6.5
85.10175	2.7
87.00835	26.5
91.03991	1.3
91.05479	16.0
93.06475	2.6
93.07048	43.2
93.07632	2.6
95.04975	9.2
95.08611	86.6
97.02898	32.0
97.06509	4.3
97.10182	15.5
98.21493	3.2
99.04456	19.6
99.08081	2.4
103.03911	2.3
105.01869	15.2
105.06385	1.9
105.07040	23.8
107.04933	2.8
107.08603	33.0
109.02885	86.4
109.06520	5.0
109.10165	54.2
111.04460	6.7
111.08073	3.2
111.11726	10.0
115.05509	1.3
117.01853	2.9
117.06988	2.5
119.07790	2.2
119.08589	23.9
121.06496	2.0
121.10149	30.4
123.04454	3.0
123.08082	6.6
123.11715	25.4
124.31628	1.2
125.02336	2.7
125.09627	2.0
125.13264	4.3
127.03928	88.9
127.11163	2.2
129.01849	3.6
129.06987	2.2
129.12766	1.8
131.08563	4.7
133.10138	19.4
135.08043	1.8
135.11702	21.5
137.05956	3.3
137.09637	8.7
137.13254	12.1
139.11191	3.7
143.08542	2.5
143.14301	1.5
145.04974	11.3
145.06088	1.7
145.10112	5.5
147.02884	2.2
147.08051	1.4
147.11693	15.2
149.09607	2.4
149.13275	28.8
151.07545	1.7
151.11177	1.4
151.14859	6.6
155.10638	2.5
157.10150	3.8
157.15709	1.7
159.02904	9.5
159.08070	2.0
159.11696	4.1
161.09662	3.0
161.13248	12.9
163.11133	2.1
163.14838	18.2
165.12769	9.0
165.16420	4.7
169.10194	1.3
175.11198	1.8
175.14798	6.0
177.05518	1.5
177.16418	7.7
179.14262	3.0
179.17923	4.2
185.09732	1.4
185.13274	1.6
187.06168	2.4
187.11201	1.6
187.14812	1.3
189.04021	2.7
189.16412	6.3
191.17931	2.3
199.14824	1.5
203.18019	5.1
205.19592	2.3
213.03969	10.1
217.19505	5.8
231.05032	14.6
231.21248	1.4
233.22485	1.9
247.24147	3.7
273.25784	41.5
279.26807	14.1
289.25232	1.9
291.26846	56.1
308.30515	1.4
309.27899	56.9
315.26654	1.8
327.28662	1.8
333.27878	4.6
345.27795	2.4
357.27707	1.7
369.28195	2.5
371.29587	1.9
375.28745	3.1
381.27997	3.3
387.29166	2.7
393.09875	1.8
399.29044	7.0
417.29935	6.8
435.30960	2.8
491.29773	2.3
503.29999	3.2
521.31207	8.2
539.32068	2.7
557.25482	2.1
557.33734	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	557.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01863	2.8
55.05266	1.4
55.05513	18.1
57.03435	4.2
57.07059	3.1
61.02916	2.4
67.05506	8.7
68.99786	0.8
69.03077	1.2
69.03430	16.6
69.06718	1.2
69.07072	14.6
71.05003	3.7
71.08636	1.6
71.55996	0.8
71.56438	0.9
73.02902	3.5
79.05495	3.9
80.79980	0.7
81.03421	15.9
81.06580	1.4
81.07058	21.1
83.04982	17.9
83.08618	9.4
85.02908	29.5
85.06543	2.8
87.00836	12.4
87.04497	0.9
91.03943	1.1
91.05487	4.0
93.07050	10.9
95.04959	2.2
95.08611	21.7
97.02892	10.6
97.06519	2.2
97.10177	4.6
99.04456	7.1
99.08069	1.9
101.02386	0.8
105.01863	8.8
105.07015	5.9
107.04972	0.9
107.08598	9.5
109.02874	13.4
109.06503	3.5
109.10152	12.2
111.08083	6.2
111.11717	3.1
117.01838	1.4
117.07005	1.1
119.08572	4.7
121.10151	6.8
123.04375	1.2
123.08060	1.6
123.11723	10.0
125.09616	1.6
125.13222	1.0
126.59988	0.7
127.03917	19.6
129.01845	1.6
131.05014	0.8
131.08519	1.0
133.10139	3.3
135.11687	6.0
137.02353	0.9
137.05988	1.2
137.09554	1.0
137.13257	5.5
139.11189	2.2
145.04959	5.4
145.10088	2.1
147.02882	1.0
147.11713	3.5
149.13235	7.9
153.12735	1.8
159.01700	1.0
159.02832	4.9
161.13275	1.9
163.14821	3.6
165.12718	1.1
167.14406	1.3
175.14774	1.4
177.05472	1.3
177.16389	1.9
189.03957	1.3
189.16388	1.1
193.19591	1.3
203.18004	1.4
217.19624	1.1
231.04991	3.9
233.11566	0.8
249.06291	0.9
273.25705	3.5
279.26724	1.8
291.26846	14.7
309.27875	100.0
399.28931	1.0
513.26941	1.0
557.25146	6.8
557.32715	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
57.03432	1.7
57.07077	100.0
59.05003	30.1
69.07073	2.5
69.32787	7.6
71.08634	97.4
83.08639	2.2
85.10185	90.4
87.04462	4.5
87.08076	0.9
89.06033	55.8
97.10219	1.0
98.20721	1.6
99.11726	11.9
101.09629	1.8
103.07597	1.8
117.09135	7.5
120.30090	1.0
131.07028	1.4
133.08609	33.6
141.16371	13.0
147.10165	2.5
163.30797	0.9
175.09644	1.6
177.11238	23.5
177.12703	1.9
199.20573	30.5
221.13908	3.9
239.14868	1.7
240.23299	1.0
250.48129	1.0
257.24738	16.4
261.79489	0.9
265.16434	2.8
283.17538	20.7
323.20593	4.6
327.20154	1.7
341.21756	6.7
371.22852	1.4
381.24890	2.0
505.63510	0.9
539.41467	4.1
556.44171	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	556.442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15343	1.0
55.05514	1.9
57.07077	100.0
59.05005	13.4
69.44230	8.8
71.08634	63.5
73.06552	3.0
76.30177	1.0
83.08607	1.2
85.10184	52.9
87.04471	5.6
89.06034	75.9
97.10146	1.9
99.11725	9.3
100.07722	1.1
103.07588	6.8
113.13267	4.1
117.09151	1.8
121.23119	1.2
130.08684	1.8
131.07024	4.6
132.96359	1.2
133.08606	68.4
155.17953	8.7
175.09624	3.0
177.11235	28.8
177.12700	2.2
213.22116	9.1
216.41844	1.1
221.13855	10.1
239.14899	3.1
249.11290	1.1
257.24765	5.2
265.16437	1.6
283.17517	2.2
303.96103	1.0
309.19055	4.8
327.20129	29.5
367.23245	5.0
385.24072	1.4
451.74564	1.2
539.41333	6.5
547.54950	1.2
556.44391	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	557.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	15.0
55.01869	6.0
55.05262	3.4
55.05508	32.6
57.03430	10.0
57.07080	14.8
61.02925	7.8
65.03936	5.4
67.05505	44.7
68.99777	4.1
69.03082	3.9
69.03432	60.6
69.07072	39.5
70.06845	5.3
70.07243	7.2
71.01341	3.0
71.04981	14.5
71.08625	8.3
73.02930	3.7
78.45795	2.5
79.05486	25.0
81.03423	67.7
81.07059	94.4
83.04979	8.9
83.08622	23.9
85.02431	4.8
85.02909	70.7
85.06531	11.2
87.00835	28.6
91.03949	3.9
91.05476	19.6
93.07046	63.0
95.04968	14.0
95.08612	100.0
97.02887	35.0
97.06525	4.3
97.10149	18.8
98.97546	3.0
99.04448	26.4
99.08091	5.2
105.01876	16.3
105.07039	36.4
107.04951	4.9
107.08600	41.6
109.02885	88.9
109.06519	8.0
109.10165	61.9
111.04430	7.8
111.08089	6.0
111.11713	10.6
113.61365	2.9
117.07041	3.9
119.04976	3.4
119.08580	30.8
121.10139	34.5
123.04411	6.5
123.08073	7.1
123.11710	30.5
125.02397	3.0
125.09641	2.8
127.03921	98.0
127.11258	2.6
129.01889	3.7
129.06946	3.7
131.08562	8.4
133.10127	23.6
135.08078	3.2
135.11679	25.1
137.05997	3.1
137.09592	9.6
137.13228	9.9
139.11176	2.8
142.07748	3.3
143.08549	4.0
145.02904	4.0
145.04944	13.1
145.10130	5.6
147.11697	22.0
149.13271	36.9
151.07518	3.5
151.14813	11.9
159.02856	8.3
159.11691	8.2
161.13271	11.5
163.11137	3.4
163.14833	23.2
165.12741	10.0
165.16451	5.8
167.70784	3.4
173.13374	3.5
175.14908	5.8
177.05489	9.5
177.16422	9.4
187.11209	4.7
187.14806	2.8
189.03925	3.6
189.16429	5.9
191.17981	4.4
196.42560	2.6
203.17929	5.0
205.19499	4.0
213.03899	8.1
217.19504	7.0
231.05006	21.7
231.21030	4.1
233.11797	5.0
265.25140	2.9
273.25766	44.4
279.26859	15.7
291.26846	64.3
303.27158	3.5
309.27890	71.1
318.82141	3.2
327.28979	4.1
333.27939	6.0
375.29120	3.4
381.27734	4.7
399.28952	10.5
417.29932	8.0
435.31186	4.8
503.29892	5.8
506.90680	3.2
521.31201	7.9
539.32397	4.5
557.25592	5.5
557.32629	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	556.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06953	0.9
53.03947	5.8
55.01878	5.8
55.05504	2.8
57.03437	5.5
58.06592	1.4
59.04994	1.0
59.15025	1.0
61.02935	7.2
67.05506	2.3
68.99790	1.7
69.03432	33.4
69.07075	6.9
70.03771	4.4
70.06597	5.5
71.05004	5.4
73.02921	6.5
78.03468	0.9
79.05472	1.8
81.02989	1.6
81.03429	25.2
81.07057	3.8
83.01347	1.2
83.05016	1.8
83.08610	1.4
84.08140	3.2
85.02911	100.0
85.87897	0.9
87.00297	2.2
87.00836	44.3
87.04469	1.7
91.03958	1.7
91.05482	3.2
93.07031	2.0
94.27950	0.9
95.04984	1.5
95.08601	3.3
97.02898	48.8
97.06566	1.2
98.97570	1.9
99.04456	12.9
101.02375	1.6
105.01875	91.7
105.06995	2.3
107.08630	2.1
109.02129	1.9
109.02886	38.6
109.10151	1.9
111.08085	1.2
111.11723	1.8
115.03918	1.2
117.01860	2.4
119.04898	1.1
120.08134	1.1
121.06493	1.5
121.10191	2.3
123.04411	1.3
125.09654	1.1
127.03924	94.4
129.01846	3.8
136.07597	2.5
137.05905	2.3
145.04967	39.5
147.02850	1.8
151.07590	1.4
159.02892	13.2
161.05891	1.1
164.07057	2.0
165.09070	1.0
171.02931	1.1
178.08646	1.5
189.03908	2.7
213.03925	9.3
231.05017	40.0
249.06102	19.2
253.07039	3.5
271.08029	2.6
297.01761	0.9
317.11368	1.9
357.07947	1.6
375.09113	1.8
393.10236	2.1
404.20804	1.9
444.10419	1.1
523.63239	1.0
524.20062	3.4
556.29950	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	555.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90924	0.3
53.03930	0.4
55.01877	3.2
55.05509	1.3
56.05027	0.7
57.07065	1.0
58.06590	1.5
58.99577	1.1
60.30974	0.4
67.09999	0.4
69.07075	5.0
69.29020	4.0
70.06590	1.3
72.04529	0.9
72.08161	8.1
73.01138	0.4
73.02914	0.5
73.92239	0.4
74.00671	0.5
76.02231	1.8
79.05489	1.0
81.07063	0.9
82.06567	0.5
83.06121	0.6
84.04038	0.6
84.04517	7.6
84.08140	1.9
85.01123	2.0
85.02898	0.6
85.26836	0.4
86.09708	3.4
87.02702	2.1
90.05554	3.2
91.05486	2.7
96.08115	0.5
98.02402	1.0
98.06074	1.0
98.09688	1.1
98.21641	0.5
99.05598	1.4
102.05540	0.5
105.07033	1.0
107.06101	1.1
109.07681	1.6
113.04243	4.5
113.86352	0.4
114.05547	0.8
115.05393	2.6
116.01698	1.6
117.07028	3.7
118.06571	1.5
119.04929	0.8
123.04454	5.3
124.03965	1.2
126.05529	6.3
126.09145	0.5
128.06221	0.5
129.07069	3.7
130.04181	0.6
130.04967	2.0
130.06874	5.9
131.04953	2.3
133.06511	1.5
133.38689	0.4
135.04471	0.4
137.05995	7.4
141.03729	0.5
141.06606	4.1
142.03221	0.5
142.05043	0.7
143.04942	2.8
143.08592	1.5
144.06618	0.7
144.10240	1.1
145.06490	6.1
146.06029	2.2
147.04416	3.2
148.05249	0.9
149.04829	0.5
149.05994	7.0
151.07578	0.5
152.07062	0.5
153.06630	4.3
155.08221	1.5
157.06511	3.4
158.02715	4.3
158.06308	0.6
159.07687	3.9
160.05241	1.0
161.05995	41.5
162.06740	1.2
163.06323	1.0
163.07555	4.7
164.07082	41.4
165.09056	0.5
171.08073	1.9
171.11707	2.6
174.06754	0.7
175.05350	0.8
175.07564	16.1
176.03757	1.9
177.07898	0.6
181.03209	1.6
181.06046	3.1
187.11218	0.9
189.09111	4.9
193.06465	2.3
199.07123	4.1
199.11163	3.0
205.12309	1.0
207.07568	0.4
215.04929	0.8
216.13947	0.5
217.12260	30.4
230.08466	3.5
232.13408	0.7
233.06036	1.0
234.14914	26.4
247.11200	1.8
251.10968	0.9
253.08389	0.7
266.12051	3.0
268.13669	13.8
270.10825	2.6
271.09384	0.7
273.12656	0.5
274.13193	0.5
288.11914	0.6
322.10684	0.8
426.20621	40.2
427.20602	0.4
508.30643	0.5
537.23865	1.7
538.22217	0.5
555.24908	100.0
556.25275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.6
55.01877	7.4
55.05513	19.5
57.03430	5.5
57.07082	9.5
59.05000	2.4
61.02920	5.7
65.03934	2.0
65.81409	1.4
65.88827	1.2
67.05506	28.6
68.99796	3.4
69.03432	43.0
69.07069	47.4
70.06580	1.9
71.01366	2.2
71.04990	7.0
71.08635	2.7
71.56414	1.3
73.02920	5.3
79.05499	15.7
81.03423	45.5
81.07062	74.6
83.04980	8.7
83.08624	15.8
84.08140	1.8
85.02909	66.1
85.06527	9.8
87.00836	21.4
87.04480	2.8
91.03935	3.0
91.05479	19.6
93.07052	30.9
95.04968	5.6
95.08612	70.9
97.02899	25.1
97.06525	6.3
97.10177	5.6
99.04463	16.0
99.08109	6.2
103.03918	3.1
103.83290	1.4
105.01871	13.5
105.07038	28.1
107.04951	3.6
107.08604	28.2
109.02888	38.5
109.06512	5.9
109.10159	38.3
111.04428	3.3
111.08067	8.6
111.11729	4.5
113.09635	2.3
115.05397	1.7
117.01866	4.0
117.07013	3.1
119.04997	2.1
119.08589	20.2
121.06520	3.4
121.10147	28.3
123.04434	1.4
123.08075	5.3
123.11728	15.1
125.09621	1.9
125.13253	1.7
127.03923	58.6
127.11202	4.3
129.01855	4.6
129.07005	1.9
131.08621	9.8
133.06470	1.3
133.10144	13.4
135.04431	1.9
135.08105	1.4
135.11700	18.0
137.06003	3.9
137.09622	6.6
137.13263	5.5
139.11180	4.4
141.06926	1.4
142.07799	1.4
143.08553	3.3
143.14337	4.5
145.04959	15.0
145.06085	1.4
145.06566	1.4
145.10124	11.1
145.12236	3.6
147.02892	2.4
147.08037	2.2
147.10614	2.4
147.11696	19.2
149.05923	2.0
149.09598	2.9
149.13254	13.1
151.07544	1.9
151.11151	5.1
151.14841	5.8
153.12718	1.3
157.10138	4.7
159.02904	9.4
159.07939	1.2
159.11691	11.8
161.09605	2.7
161.13254	11.7
163.11168	5.0
163.14851	9.0
165.12825	8.3
165.16400	1.3
166.59868	1.3
169.10077	1.7
169.15855	2.0
171.11754	2.2
173.13326	5.1
175.14821	4.7
177.12766	1.5
177.16408	4.6
179.10680	1.7
179.14328	3.5
181.12216	2.7
185.13283	1.7
187.11301	1.6
187.14890	2.9
189.03923	2.2
189.16400	5.0
191.14359	1.7
191.17903	6.3
195.11761	2.0
200.12633	1.3
201.12732	1.5
201.16490	1.9
201.18495	1.6
205.15872	1.5
209.19051	2.4
211.11139	1.7
213.03867	3.9
215.17955	4.2
231.04985	12.2
271.24197	10.6
277.25446	1.5
285.07581	1.9
287.23706	2.0
289.25299	31.3
295.25928	1.4
307.26358	100.0
308.26871	1.4
325.27213	2.2
331.26877	1.4
349.27802	2.0
373.27435	2.2
379.26215	2.3
397.27267	3.6
410.10352	1.3
415.28455	2.2
501.28854	2.0
519.29504	1.8
537.30774	4.1
555.24353	4.9
555.31421	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	555.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.8
55.05510	1.6
56.05029	1.3
57.07069	1.8
58.06597	0.7
58.99579	1.1
60.04502	0.5
68.05022	0.6
69.06718	0.6
69.07070	6.4
69.66177	0.7
69.66595	1.7
70.02970	0.7
70.06596	2.5
72.04523	1.5
72.08161	8.6
73.01144	0.5
74.00668	0.8
76.02230	2.6
79.05506	1.0
80.05027	0.7
81.03455	0.4
81.07071	1.1
82.06557	0.6
83.06110	0.6
84.04507	8.7
84.08148	1.8
85.01141	1.8
85.02911	1.0
86.09724	3.4
87.02708	2.4
87.05618	0.7
90.05556	3.3
91.05489	3.4
93.68384	0.4
96.08141	0.5
98.02442	1.0
98.06070	0.9
98.09711	2.4
99.05593	1.9
103.05472	1.1
104.01736	0.7
105.07046	1.1
107.04993	0.8
107.06080	1.6
109.07648	1.7
110.06031	0.4
113.04228	4.3
114.05488	0.4
114.09188	1.7
115.05398	3.6
116.01690	2.1
117.07030	4.8
118.06559	1.7
119.04972	1.3
123.04440	5.8
124.03967	1.3
126.05516	6.7
127.03934	0.5
128.06209	0.6
129.07027	4.0
130.04138	0.7
130.05023	3.1
130.06880	8.4
131.04944	2.8
133.06503	1.5
135.04445	0.5
135.05557	0.8
137.05978	7.2
137.06949	0.7
141.06584	5.0
142.03253	0.8
142.05040	0.6
143.04907	2.2
143.08601	1.4
144.06572	0.8
144.10208	2.4
145.06490	6.5
146.06056	2.5
147.04430	4.1
147.66319	0.4
148.05226	1.5
149.04797	1.2
149.05975	8.2
152.07080	0.5
153.06601	4.2
155.08176	2.0
157.06503	4.2
158.02736	5.6
158.07338	0.5
159.04890	0.4
159.07684	4.0
160.05252	1.1
161.05991	48.7
162.05525	0.8
162.06787	1.7
163.06299	0.8
163.07539	5.7
164.07077	49.7
169.06406	0.6
170.07401	0.5
171.08069	1.8
171.11705	2.5
174.06810	0.7
175.07553	22.4
176.03793	1.8
177.07829	0.7
178.08606	0.7
180.10187	0.4
181.03229	1.7
181.06081	3.9
184.09792	1.0
187.05373	0.7
187.11206	0.8
188.08359	1.2
189.09134	4.7
193.06422	3.1
199.07135	4.9
199.08592	0.4
199.11192	4.5
205.12263	1.0
215.04984	1.0
217.12257	33.0
229.10088	0.5
230.08507	2.8
232.13380	0.9
233.05959	1.3
234.14902	32.4
247.11240	2.3
251.11038	1.3
253.08304	0.6
266.12115	4.2
268.13693	15.3
268.16605	0.8
270.10858	3.8
271.09366	1.6
273.12778	1.7
274.13104	2.0
288.11978	0.7
322.10855	1.0
426.20612	49.3
497.27783	0.4
537.23773	2.9
538.22601	0.9
555.24878	100.0
556.25012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
61.02916	0.6
67.05482	1.4
69.07037	0.8
69.53082	2.5
78.40272	0.3
79.05466	0.6
81.07036	1.1
88.87082	0.3
91.05463	0.8
91.95839	0.3
93.07034	1.8
95.04949	1.6
95.08595	0.4
105.07012	0.7
107.08588	0.4
109.10098	0.5
115.92592	0.4
117.06938	0.4
135.04369	0.4
137.05948	1.2
141.06934	0.8
151.03905	11.8
155.04904	0.4
158.07275	0.6
159.11719	0.4
163.03926	0.7
169.06470	2.5
171.04384	0.7
171.08044	0.4
182.07236	0.9
183.04398	1.2
185.05971	0.8
186.06757	1.5
197.05960	1.5
198.06732	4.9
199.03888	1.6
199.07579	0.7
201.05370	0.9
201.09125	1.0
210.06822	0.6
213.05450	0.4
213.09035	0.4
214.06255	10.5
225.05438	2.5
226.06274	1.8
227.03470	1.8
227.06900	0.5
229.08636	2.3
238.06256	7.9
241.08614	3.5
242.05754	14.2
243.06488	0.6
253.04959	4.3
254.05737	0.5
255.06503	0.8
257.08109	14.2
266.05753	25.0
268.07300	3.5
269.08160	0.5
270.05316	1.8
280.03220	0.4
281.08093	64.4
282.08527	0.8
285.07581	100.0
286.08002	0.7
331.09641	0.8
345.07660	0.5
357.07550	0.7
360.10040	0.8
388.09277	1.3
399.08664	0.6
400.09470	1.4
403.11768	2.9
404.12003	0.5
405.13416	1.0
414.11191	0.4
431.11285	62.1
506.13519	1.0
527.16925	1.4
536.50153	0.9
537.15204	2.7
555.16479	1.6
555.36804	0.7
557.15485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78505	0.3
52.94336	0.3
53.63655	0.3
55.05484	0.3
57.07087	1.5
59.05005	0.4
60.04522	0.4
63.88629	0.3
67.05488	1.0
69.07061	0.7
69.35318	0.3
70.15762	1.5
71.08639	2.4
73.53480	0.3
79.05485	0.7
81.07041	0.9
83.08630	0.3
83.69150	0.3
85.10195	1.8
86.90424	0.3
87.04439	0.5
89.06033	5.0
91.05476	0.9
93.07079	0.6
95.04957	1.0
95.08588	0.6
105.07043	0.5
120.57150	0.3
121.06510	0.9
129.06979	0.4
133.08635	2.5
135.04425	1.2
137.06006	2.2
139.05492	0.4
141.06978	0.5
146.68317	0.4
148.05211	0.8
151.03897	6.8
161.05956	0.6
163.03903	1.1
169.06516	2.2
171.08075	0.7
177.11220	0.8
182.07301	0.4
183.04373	1.0
184.05188	0.8
185.05978	0.9
186.06779	1.0
187.07602	0.4
196.05127	0.4
197.06052	1.9
198.06775	4.3
199.03934	1.1
199.07518	0.9
201.05492	1.5
201.09093	0.5
211.07585	1.0
214.06265	8.2
215.07062	0.4
223.07205	0.4
224.04715	0.6
225.05515	2.6
226.06213	0.9
227.03339	1.5
227.07011	1.9
229.08623	2.5
236.04698	0.7
239.07014	0.6
241.08615	2.4
242.05753	12.8
243.06473	0.7
251.06978	0.6
253.04926	0.7
255.06485	0.7
257.08105	14.1
261.09006	0.4
265.05032	0.4
267.06552	0.8
270.05255	1.5
279.06473	0.6
285.07590	100.0
287.07233	0.4
295.06165	1.6
302.09283	0.5
315.06656	0.4
317.07944	0.8
329.08008	0.9
330.08936	0.5
331.09705	1.0
332.10556	0.4
343.05981	1.4
343.09692	1.1
344.10559	0.5
345.07486	1.2
345.11331	0.6
347.12915	2.2
358.08313	3.4
359.09000	0.4
360.09930	0.5
371.09216	0.5
373.06882	0.8
373.10855	6.0
375.12280	3.5
388.09448	0.6
401.06027	0.5
401.10315	4.5
403.12192	0.8
416.08762	0.8
431.11298	31.3
487.71207	0.4
506.13297	0.6
524.14075	0.9
536.50433	1.1
537.07556	0.3
537.51508	0.5
555.16766	0.4
555.36639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
57.03440	3.6
57.07078	98.9
59.05003	66.5
69.07093	2.8
70.52639	1.1
71.08637	100.0
74.22176	1.0
83.08622	2.4
85.10189	99.9
87.04482	2.3
89.06039	14.0
90.14212	1.0
97.10180	3.0
99.08118	1.3
99.11734	11.9
100.07657	1.2
101.06030	1.4
101.09658	6.0
103.07561	2.5
107.07075	2.2
108.34550	1.1
111.11710	1.2
115.07607	1.8
117.09145	22.2
119.61898	1.2
120.09724	1.0
124.88408	1.2
133.08676	1.6
141.16391	12.3
147.10146	6.3
158.11856	1.5
159.13770	1.4
161.11795	1.7
175.13301	1.7
184.38713	1.0
199.20584	30.3
200.38707	1.2
205.14412	5.6
223.15472	2.9
240.23280	2.0
257.24759	38.4
257.27414	2.1
263.18610	2.0
281.19580	1.9
315.29031	3.6
321.22650	1.3
436.11203	1.2
444.72562	1.1
537.43573	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	554.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.2
57.03437	2.7
57.07078	100.0
59.05003	43.3
65.61852	0.6
67.05513	1.0
69.07069	3.1
70.72388	1.6
71.08633	78.2
73.02956	0.5
73.83823	0.5
75.43891	0.5
78.66737	0.5
83.08619	2.7
85.10185	67.4
87.04469	1.2
89.06035	13.1
91.05840	0.8
95.08569	0.7
97.10165	3.5
98.99049	0.6
99.11125	1.2
99.11733	14.3
101.06007	0.9
101.09642	4.4
103.07594	4.3
111.11707	0.7
113.13284	4.7
117.09138	13.0
130.08653	0.7
133.08617	11.6
147.10162	0.9
151.09636	3.7
155.17938	12.4
158.11772	1.1
161.11729	1.0
171.17276	0.8
175.13214	1.3
189.11130	1.2
191.12796	5.9
209.13860	3.9
213.22142	23.0
225.04330	0.8
249.16924	2.7
254.24857	1.2
267.18134	2.9
271.26318	29.0
285.65628	0.6
299.37524	0.6
301.10776	0.6
307.21231	0.8
308.77701	0.6
325.22018	1.2
329.30255	2.1
477.87271	0.6
536.49915	2.0
537.43591	3.1
554.45770	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	554.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.9
57.03457	2.2
57.07077	97.9
59.05002	54.6
64.41826	1.8
65.79803	1.9
69.07049	4.2
69.20002	6.3
69.20432	12.4
71.08631	100.0
73.02918	50.2
81.07037	1.9
83.08603	3.8
85.10183	97.4
87.04453	6.4
87.08107	3.5
89.06020	7.0
97.10165	2.4
98.21456	3.7
99.11740	10.3
100.33030	1.7
101.09670	5.2
103.07579	5.2
117.05545	2.2
117.09136	12.9
133.08611	3.7
139.14871	1.7
141.16399	10.0
185.19014	1.9
195.12315	4.1
199.20604	24.2
205.10663	10.1
223.11613	1.9
232.31464	1.9
240.23244	2.0
243.23201	7.0
257.24731	23.5
257.90182	1.8
281.16034	2.8
310.14587	2.0
478.71960	2.8
554.42804	12.3
569.26660	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	553.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93064	0.5
52.85250	0.5
55.05504	1.1
63.56330	0.6
64.83009	0.5
67.05495	1.2
67.10110	0.5
69.07065	0.9
69.48692	3.9
79.05485	0.8
81.03366	0.6
81.07053	1.0
81.55711	0.6
85.02908	1.8
91.05481	0.9
93.07023	1.5
95.08595	1.3
97.02914	0.8
97.06522	0.5
98.20782	1.2
98.97565	1.0
105.07072	1.3
109.10163	0.8
121.10144	0.7
127.03898	0.9
157.04755	0.7
184.07376	0.6
185.04222	2.1
189.00853	0.7
199.86320	0.7
201.03712	1.9
253.90433	0.5
254.91058	0.7
275.07507	0.7
331.10080	2.3
359.12967	0.9
373.15131	0.8
391.24442	1.0
452.07941	0.9
483.21936	1.6
553.29834	100.0
554.29791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.8
57.03440	1.1
57.07079	100.0
59.05007	30.6
69.07076	2.2
69.80622	5.2
71.08636	81.5
73.02923	41.1
73.03266	0.6
73.03355	1.0
83.08598	2.1
85.10187	62.0
87.04480	4.7
89.06031	8.0
97.10166	2.9
98.32269	0.9
99.11740	12.2
101.09678	3.0
103.07580	2.2
109.10096	0.8
111.11728	1.2
113.13293	5.4
117.05469	1.3
117.09138	8.7
127.14783	1.4
130.08618	1.4
133.08656	5.9
141.16379	1.1
155.17963	10.6
161.08121	2.8
161.75018	0.9
177.11240	1.2
185.19054	2.1
199.20638	1.0
205.10745	6.0
213.22122	17.1
219.12303	0.8
229.08711	0.8
239.14919	10.2
243.23215	5.3
249.13420	3.2
254.24760	1.6
257.24814	1.4
267.14368	2.4
271.26376	8.9
295.59555	1.0
297.19125	2.4
325.18835	1.8
373.28845	0.8
510.14423	0.9
554.42670	9.5
573.28864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.33
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.1
55.05510	0.5
56.05043	0.6
56.96574	0.2
57.03436	0.2
57.07064	0.1
58.06631	0.4
59.05001	0.1
60.08167	6.1
61.02939	0.3
67.05506	0.5
69.03429	0.3
69.07065	0.5
69.93497	0.6
70.06593	0.2
71.07381	2.9
71.08623	0.2
73.02911	0.1
79.05505	0.3
81.03410	0.2
81.07063	0.4
83.08634	0.4
84.08979	0.1
85.02923	0.6
86.09709	30.7
87.00813	0.2
89.06058	0.2
90.05521	0.1
91.05479	0.3
93.07058	0.3
95.08624	0.4
97.02903	0.3
97.10196	0.2
98.97601	0.2
98.98461	2.8
99.04440	0.2
99.08083	0.1
100.67389	0.1
104.10753	5.1
105.07011	0.3
107.08618	0.2
109.02888	0.2
109.10198	0.2
116.98640	0.1
117.06921	0.1
119.08611	0.2
125.00010	20.3
127.03940	0.5
131.00104	0.1
131.08572	0.2
133.10118	0.1
137.05971	0.5
145.04912	0.2
149.01205	0.1
149.74095	0.1
175.93504	0.1
184.07350	100.0
208.89894	0.1
211.62213	0.1
243.10139	0.2
253.77663	0.1
258.11026	0.3
259.13660	0.1
271.09775	0.1
284.12708	0.4
293.13217	0.5
302.17703	0.1
452.24225	0.5
534.31995	2.7
552.33099	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	553.2988
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
67.05503	0.8
74.33324	0.3
79.05474	0.4
81.07047	0.4
83.01119	0.8
83.05045	0.3
83.18613	0.3
85.02891	0.4
95.01096	0.5
96.01897	0.3
98.20683	0.6
105.07056	0.6
107.08610	0.4
109.10169	0.3
119.08531	0.3
121.06484	0.3
121.36118	0.3
129.05540	0.4
133.10159	0.4
135.11665	0.3
156.03888	0.6
157.04738	0.3
185.04155	1.9
190.31726	0.4
201.03737	1.6
203.05289	2.2
259.07697	1.7
331.10120	2.3
345.11636	0.7
359.13242	0.7
373.14740	0.8
390.78708	0.3
391.24567	0.5
401.17892	0.5
415.19672	0.9
420.07797	0.3
455.22244	0.4
483.21973	2.0
535.28149	0.5
553.29865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30151	0.1
55.05501	0.4
56.05026	0.5
56.96557	0.2
57.07072	0.2
58.06627	0.5
59.07372	0.2
60.08164	6.2
67.05492	0.5
69.01284	0.1
69.03442	0.3
69.07070	0.6
70.06596	0.2
71.07374	3.4
71.08607	0.1
71.56118	0.2
73.02911	0.1
79.05495	0.4
81.03407	0.4
81.07053	0.6
83.08605	0.3
85.02901	0.6
86.09706	31.0
87.00847	0.1
89.06026	0.2
91.05479	0.3
93.07017	0.3
93.25892	0.1
95.08613	0.3
97.02914	0.3
97.10168	0.4
98.97564	0.1
98.98467	2.9
103.05454	0.1
104.10046	0.2
104.10749	4.9
105.01875	0.1
105.07051	0.4
107.08599	0.3
109.02872	0.1
109.10137	0.3
115.81429	0.1
119.08589	0.3
121.06551	0.1
121.10110	0.1
123.11740	0.2
125.00008	21.3
125.09655	0.2
127.03901	0.3
131.08595	0.1
133.08643	0.2
133.10126	0.2
135.11601	0.1
136.16689	0.1
137.05975	0.6
143.01045	0.2
145.04945	0.2
148.01082	0.1
159.11729	0.1
161.13289	0.1
166.02621	0.1
181.63321	0.1
184.07339	100.0
185.07779	0.1
189.49251	0.1
258.11008	0.4
397.55521	0.1
439.59064	0.1
451.07297	0.2
452.24020	0.5
516.30695	0.3
534.31891	3.2
537.19495	0.1
552.33136	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	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.05505	11.5
57.07066	11.5
58.94162	3.4
65.03933	3.4
67.05511	22.4
69.07081	17.7
71.08644	3.5
72.41016	3.0
77.71024	2.7
77.92327	3.1
79.05485	21.3
81.07068	37.1
83.08626	9.3
91.05491	31.7
93.07053	49.3
95.04952	5.4
95.08618	39.8
103.05465	3.8
105.06390	5.4
105.07045	66.2
107.03589	3.2
107.08602	52.2
109.10158	32.7
115.05441	4.9
115.88103	2.8
117.07038	13.4
119.08598	100.0
121.10165	47.5
123.11724	11.8
128.06258	5.8
129.06999	8.8
130.07800	7.2
131.08597	30.1
133.10139	49.0
135.11682	39.8
137.09576	5.2
142.07777	12.5
143.08589	27.5
144.09341	6.3
145.10144	51.8
147.11726	20.9
149.09573	3.3
149.13257	5.8
155.08545	12.3
156.09361	8.3
157.10139	31.7
158.10922	5.3
159.11710	27.5
161.13239	9.5
167.08621	4.9
168.09296	3.8
169.10167	14.4
170.10887	5.4
171.11668	20.2
173.13266	23.4
175.14825	38.1
179.08537	4.4
181.10182	8.3
183.11700	15.9
185.13274	15.7
187.14801	16.8
189.16382	4.5
192.09503	3.4
193.10138	7.9
194.10924	6.9
195.11684	8.0
196.12531	3.2
197.13277	15.7
199.14845	11.8
201.16412	10.9
207.11679	5.2
208.12535	3.5
209.13295	9.7
211.14842	8.9
213.16360	8.0
221.13300	4.0
223.14859	7.8
225.16473	4.7
229.45543	2.7
237.16339	6.0
239.17934	3.6
241.19411	5.2
247.14819	3.0
249.16435	3.6
251.18036	5.1
253.19637	5.5
256.96698	2.9
257.18900	3.1
261.16336	4.4
263.17957	3.4
265.19669	3.6
267.20987	5.8
285.22131	4.5
334.13358	4.5
391.29163	3.5
492.91101	3.0
511.92383	2.9
533.41364	6.2
551.42328	32.2
574.57788	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	551.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01862	8.4
55.05510	28.1
57.03419	5.7
57.07070	22.9
58.03997	5.9
61.82563	5.7
64.06281	5.0
67.05507	43.1
69.03423	32.9
69.07078	65.0
69.25129	47.8
71.04993	11.9
71.08625	14.6
79.05489	9.5
81.03416	15.7
81.07064	87.1
83.08618	57.1
85.02906	57.4
85.06556	13.4
85.10171	9.4
86.09698	26.3
87.00826	26.6
89.06033	7.2
91.05460	13.5
93.07048	22.6
95.04939	7.4
95.08611	100.0
97.02884	21.9
97.10192	32.9
98.97598	7.1
99.04517	7.8
105.01868	33.9
105.07027	14.0
107.08603	15.1
109.02869	15.5
109.06522	5.8
109.10163	78.3
111.11726	44.1
111.16547	5.6
119.08578	12.8
121.06511	8.5
121.10139	16.2
123.11704	59.7
124.99986	21.6
125.13271	13.4
127.03945	34.4
135.11691	6.4
137.05942	8.7
137.13245	26.5
145.04962	9.9
145.10147	9.1
151.14847	17.1
157.10019	5.4
159.02881	6.4
165.16377	12.6
179.17950	14.2
183.36804	5.6
184.07359	84.2
193.19513	22.5
196.17041	15.5
231.04955	6.3
249.06093	7.2
249.25822	24.4
267.26862	74.6
271.06158	9.5
279.38049	6.2
285.27896	18.9
343.10089	6.1
364.71655	6.4
461.28897	10.2
477.90485	7.1
479.30182	7.3
525.75226	7.0
551.32770	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2831
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
51.93377	0.5
54.50216	0.5
55.05510	0.8
61.02924	1.0
66.54694	0.6
67.05507	1.0
68.47908	0.6
69.07041	0.8
70.62312	0.6
71.56628	0.7
79.05505	1.2
81.07072	1.2
83.08620	0.7
85.02926	0.7
91.03989	0.8
91.05496	0.7
93.07042	1.5
95.08602	1.4
97.02856	0.7
97.10210	0.7
98.24380	0.5
98.97590	0.6
104.74489	0.5
105.07040	1.5
107.08546	0.7
109.58466	0.5
119.08576	1.4
121.10106	0.8
131.08513	1.0
145.27745	0.5
146.75354	0.5
149.02365	3.8
153.70247	0.6
184.07419	0.6
193.04979	3.0
199.13359	0.7
213.85316	0.5
259.07916	0.9
267.11960	0.8
307.15710	0.6
310.10446	0.7
326.13995	0.7
389.23026	3.4
390.73840	0.6
451.07697	0.8
475.10730	0.7
551.28296	100.0
552.28552	1.0
572.14459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2836
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
52.84529	0.6
53.03961	0.7
53.75127	0.6
55.05499	1.3
56.87566	0.6
56.96568	0.7
57.03419	0.7
57.07067	0.9
61.02931	1.2
62.77778	0.7
67.05508	2.2
69.03423	1.1
69.07059	1.7
69.21104	1.3
69.21502	5.6
69.80846	0.6
79.05489	2.2
81.07057	4.1
83.08624	0.7
85.02921	1.6
86.09711	0.7
88.11289	1.1
91.05486	2.3
93.07051	2.7
95.08625	3.9
97.02886	0.9
98.21479	1.0
105.07049	2.9
107.08618	2.9
109.06554	0.9
109.10170	1.8
112.16936	0.6
117.07030	0.8
119.08588	1.9
121.06513	0.6
121.10130	2.0
127.03922	0.9
131.08595	1.0
133.10133	2.2
135.11693	0.7
136.55527	0.7
137.13235	0.7
145.10197	0.9
147.11676	1.2
160.89447	0.6
178.08667	1.1
181.10071	0.8
191.18053	0.8
193.05113	0.8
203.05263	1.1
203.17976	1.0
217.19463	0.8
240.66531	0.6
255.50848	0.7
259.07990	1.4
310.10452	0.7
326.13971	2.6
350.01468	0.7
389.22867	3.7
550.40887	0.8
551.28320	100.0
551.40625	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	551.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01862	0.8
57.03421	0.6
61.02922	0.6
65.03923	0.3
67.01538	0.3
67.01870	4.6
67.05495	0.4
68.83469	0.2
68.99783	2.6
69.03423	2.6
70.06604	0.4
70.70388	0.4
70.70709	0.5
71.04984	0.4
71.45823	0.2
73.02939	0.4
79.05486	0.5
81.03417	2.7
81.07047	0.7
83.01336	0.3
83.04973	0.3
85.02428	0.4
85.02910	5.9
85.03423	0.4
86.09691	0.4
87.00838	1.9
89.03931	1.2
91.05468	1.1
93.07068	0.2
95.04939	0.5
95.08617	0.4
97.02903	2.7
99.04437	1.1
103.05441	0.5
105.01859	1.3
105.03410	0.3
105.07023	0.6
107.04924	0.4
107.08589	0.5
109.02867	2.4
111.00793	0.6
111.04436	0.5
117.01892	0.3
117.03373	3.8
119.04935	0.7
119.08612	0.3
121.06497	0.6
121.10155	0.6
123.04401	0.7
125.02325	0.7
125.05973	0.7
127.03913	4.5
129.01811	0.7
131.04941	0.6
135.04433	0.4
137.05983	3.9
141.05461	0.2
142.38730	0.3
144.68694	0.2
145.02843	12.5
145.04810	1.7
145.06451	0.3
145.10172	0.3
147.02898	0.4
147.04384	0.4
149.05960	1.9
151.03969	1.3
151.07542	3.9
153.01825	100.0
154.02188	0.3
157.06459	0.4
159.02882	1.7
159.07980	0.3
163.03859	0.6
167.07043	0.8
169.69307	0.3
171.02893	21.8
177.05469	19.2
179.03397	6.7
183.02852	0.4
189.09113	0.4
195.02922	2.4
199.43315	0.2
207.06448	0.3
214.08626	0.4
215.03397	0.4
217.04965	0.5
219.02956	0.5
219.06512	0.4
229.11052	0.7
231.05003	0.7
243.02629	0.3
255.54602	0.2
258.05292	0.7
259.05707	0.3
260.05688	0.3
261.03873	0.8
261.07544	0.4
285.07547	0.9
285.81924	0.3
286.04739	1.2
287.05133	0.8
288.05344	1.1
301.07037	3.1
302.07391	2.7
303.08621	88.9
304.09119	0.4
327.08594	0.5
345.09985	0.4
365.05115	0.4
369.09589	0.5
371.14905	0.4
397.49551	0.3
401.07208	1.3
411.10437	0.4
422.17188	0.3
497.73880	0.3
519.19934	1.0
551.13116	0.4
551.30817	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01862	0.8
57.03421	0.6
61.02922	0.6
65.03923	0.3
67.01538	0.3
67.01870	4.6
67.05495	0.4
68.83469	0.2
68.99783	2.6
69.03423	2.6
70.06604	0.4
70.70388	0.4
70.70709	0.5
71.04984	0.4
71.45823	0.2
73.02939	0.4
79.05486	0.5
81.03417	2.7
81.07047	0.7
83.01336	0.3
83.04973	0.3
85.02428	0.4
85.02910	5.9
85.03423	0.4
86.09691	0.4
87.00838	1.9
89.03931	1.2
91.05468	1.1
93.07068	0.2
95.04939	0.5
95.08617	0.4
97.02903	2.7
99.04437	1.1
103.05441	0.5
105.01859	1.3
105.03410	0.3
105.07023	0.6
107.04924	0.4
107.08589	0.5
109.02867	2.4
111.00793	0.6
111.04436	0.5
117.01892	0.3
117.03373	3.8
119.04935	0.7
119.08612	0.3
121.06497	0.6
121.10155	0.6
123.04401	0.7
125.02325	0.7
125.05973	0.7
127.03913	4.5
129.01811	0.7
131.04941	0.6
135.04433	0.4
137.05983	3.9
141.05461	0.2
142.38730	0.3
144.68694	0.2
145.02843	12.5
145.04810	1.7
145.06451	0.3
145.10172	0.3
147.02898	0.4
147.04384	0.4
149.05960	1.9
151.03969	1.3
151.07542	3.9
153.01825	100.0
154.02188	0.3
157.06459	0.4
159.02882	1.7
159.07980	0.3
163.03859	0.6
167.07043	0.8
169.69307	0.3
171.02893	21.8
177.05469	19.2
179.03397	6.7
183.02852	0.4
189.09113	0.4
195.02922	2.4
199.43315	0.2
207.06448	0.3
214.08626	0.4
215.03397	0.4
217.04965	0.5
219.02956	0.5
219.06512	0.4
229.11052	0.7
231.05003	0.7
243.02629	0.3
255.54602	0.2
258.05292	0.7
259.05707	0.3
260.05688	0.3
261.03873	0.8
261.07544	0.4
285.07547	0.9
285.81924	0.3
286.04739	1.2
287.05133	0.8
288.05344	1.1
301.07037	3.1
302.07391	2.7
303.08621	88.9
304.09119	0.4
327.08594	0.5
345.09985	0.4
365.05115	0.4
369.09589	0.5
371.14905	0.4
397.49551	0.3
401.07208	1.3
411.10437	0.4
422.17188	0.3
497.73880	0.3
519.19934	1.0
551.13116	0.4
551.30817	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01867	2.4
55.05499	0.7
55.72290	0.4
57.03423	1.5
61.02913	1.7
67.01873	4.2
67.05480	0.9
68.02644	0.4
68.99786	2.0
69.03434	10.1
69.07056	0.4
71.04983	1.3
71.29722	0.8
72.65456	0.3
73.02556	0.4
73.02912	2.3
74.86018	0.3
77.59399	0.3
78.88427	0.4
79.01842	0.3
79.05525	0.6
81.03424	10.5
81.07049	1.8
83.01337	0.8
83.04997	0.5
85.02911	19.2
87.00840	7.0
89.03928	1.2
91.03952	1.1
91.05478	0.8
92.27958	0.3
93.03410	0.4
93.07027	0.7
95.04947	0.5
95.08641	0.9
97.02899	5.7
98.97643	0.5
99.04459	4.1
100.11280	0.5
100.40887	0.4
103.03952	0.4
105.01880	5.2
105.07034	0.7
107.04958	0.7
107.08615	0.5
107.56473	0.4
109.02894	8.8
109.10168	0.6
111.04452	2.9
117.01866	0.7
117.03387	1.9
117.07065	0.4
119.08593	0.6
123.04431	1.3
125.02356	1.5
127.03934	15.2
129.01825	1.7
133.02850	0.4
135.04420	3.8
137.02365	0.6
137.05994	1.4
139.03905	1.5
145.02875	4.0
145.04968	5.1
147.02884	0.5
147.11658	0.5
151.07596	0.4
152.01183	0.4
157.10257	0.4
159.02921	6.4
159.04335	0.9
163.03920	30.5
165.05511	1.2
167.03412	100.0
177.05527	0.7
179.03415	0.6
185.04471	3.8
187.03954	1.0
193.04996	4.0
196.18637	0.4
205.04916	1.9
209.04451	3.7
213.04005	0.6
219.06442	0.7
229.05194	0.5
231.05035	2.1
233.04448	1.4
261.07654	0.6
275.05530	1.4
285.07541	1.6
303.08655	91.2
304.09052	0.5
344.03223	0.4
345.09714	1.4
369.09744	1.2
393.09814	0.4
409.59323	0.4
411.10663	1.4
550.91504	0.4
551.34363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
53.03940	1.4
55.01869	0.8
57.03454	0.6
65.03925	0.6
67.05501	1.1
68.99804	1.3
69.03424	2.1
69.24496	4.4
72.83879	0.4
73.02940	0.6
79.05489	2.1
81.03409	2.9
81.07052	1.8
83.04961	0.8
85.02903	4.3
87.00838	1.2
91.05472	1.4
93.07037	0.8
94.04195	0.5
95.04960	1.0
95.08634	0.6
97.02926	2.1
97.06486	0.6
99.04445	0.9
102.06300	0.5
103.05475	0.6
105.01883	0.7
105.07034	1.6
107.08629	0.7
109.02870	2.5
109.06508	4.9
111.00788	0.7
111.04456	0.7
119.04988	0.6
119.08589	1.1
121.06502	7.5
121.10114	0.6
123.00793	1.5
123.04436	11.1
125.05978	2.4
127.03920	13.0
129.01779	0.4
133.06502	2.1
133.10152	0.8
134.86821	0.5
137.05981	99.5
145.04948	0.7
145.06523	0.5
145.10214	0.7
147.11697	0.5
149.02354	1.3
149.05983	10.7
150.06755	0.5
151.03908	28.0
151.07523	0.6
153.01854	5.1
153.05475	5.8
155.03415	1.1
159.02919	1.2
159.08018	0.7
161.05957	0.6
163.03871	0.8
164.07079	0.5
167.03452	0.5
167.07014	1.8
173.05890	0.5
175.07658	0.6
177.04071	0.4
177.05475	13.5
179.03404	40.2
187.07561	2.3
189.09164	0.7
197.06052	0.6
201.05473	4.3
201.09149	0.6
211.07526	0.9
213.05505	0.7
214.06297	1.4
215.07004	5.5
225.05446	0.7
229.08594	5.0
229.33339	0.5
231.04881	0.7
237.02794	0.5
239.06963	0.6
241.04936	0.7
242.05779	2.3
243.06564	4.5
254.05774	0.5
255.06433	0.8
257.08093	2.6
267.06610	0.5
270.05142	2.7
275.08994	2.4
284.02350	0.5
285.07581	100.0
286.07877	0.5
303.08636	95.6
304.08972	1.0
311.10294	0.6
327.08627	1.0
337.90436	0.6
345.09583	0.7
362.27942	0.5
376.17511	0.6
551.18970	0.5
551.30609	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07214	0.3
50.29617	0.2
53.57840	0.2
55.05494	0.7
56.05015	0.6
58.06591	0.6
60.08167	6.2
61.02911	0.3
67.05480	0.5
69.07053	0.6
71.07376	2.8
79.05479	0.7
81.03426	0.5
81.07031	0.6
83.08601	0.8
85.02892	1.0
86.09708	30.3
89.06012	0.4
91.05457	0.4
93.07070	0.3
95.08611	0.5
97.02894	0.4
97.10149	0.9
98.98459	2.6
101.72169	0.3
104.10754	5.4
107.08562	0.4
118.78011	0.2
121.06522	0.3
122.37663	0.3
125.00014	21.2
127.03896	0.3
133.08607	0.4
138.82710	0.2
162.39279	0.3
184.07346	100.0
286.04968	0.3
383.57712	0.3
500.17575	0.3
506.38629	1.2
532.30334	1.3
550.31543	9.5
550.40662	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59678	0.1
54.83290	0.1
55.01873	0.1
55.05516	0.3
56.05038	0.6
58.06358	0.3
58.06625	0.6
59.07397	0.2
60.08165	6.2
61.02906	0.1
67.05508	0.5
69.07084	0.4
69.98114	0.6
70.06619	0.2
71.07372	2.9
79.05488	0.2
81.03450	0.2
81.07061	0.4
81.58854	0.1
85.02914	0.5
86.09709	30.1
91.05495	0.3
93.07064	0.3
95.05024	0.2
95.08588	0.3
97.10180	0.2
98.98468	3.0
98.99107	0.2
102.76454	0.1
104.10043	0.3
104.10750	5.7
105.07047	0.2
107.08597	0.3
113.29609	0.1
117.07074	0.2
122.34189	0.2
125.00008	21.6
127.03959	0.3
133.10080	0.2
137.06035	0.4
145.10130	0.2
147.04469	0.2
151.03896	0.5
163.03941	0.2
171.11729	0.2
184.07346	100.0
185.07726	0.2
241.96959	0.2
258.11017	0.3
289.05301	0.5
301.10706	0.4
302.07764	0.2
302.11047	0.7
424.15607	0.2
452.23859	0.3
514.29401	0.3
532.30408	2.6
550.31647	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	550.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
69.03133	0.4
69.03435	3.4
70.44369	1.0
71.04977	0.6
73.02911	0.6
81.03423	3.1
85.02912	2.9
87.00819	1.4
91.05463	0.8
97.02897	1.9
99.04451	0.8
103.93412	0.3
107.20045	0.3
109.02885	2.8
115.05445	3.2
117.01868	0.4
118.06586	0.5
119.04973	1.1
122.03661	0.4
123.04429	2.0
127.03940	2.1
133.06516	0.6
137.05984	11.5
143.04921	6.4
145.04977	0.8
147.04434	0.7
151.07532	1.2
159.60234	0.3
160.05309	0.4
161.05992	8.3
164.07071	100.0
175.07619	0.5
179.08571	0.5
187.06009	0.6
206.08110	0.5
207.08076	1.3
222.78024	0.3
235.07498	0.8
249.58206	0.4
250.94780	0.3
253.08635	0.5
285.11331	3.4
300.12140	0.8
302.13861	4.9
368.13446	2.4
412.12463	1.4
464.19031	1.8
506.14038	0.3
506.20209	14.2
550.19214	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
56.96574	0.4
57.03433	1.0
61.02922	0.5
63.28989	0.3
66.93611	0.3
69.03427	1.4
70.06593	2.0
71.36141	0.5
72.08148	0.4
73.06559	1.4
81.03423	1.2
81.07077	0.3
84.04515	0.5
84.08141	0.7
85.02911	4.4
86.09673	0.4
87.04481	4.2
89.06039	100.0
91.05493	0.9
91.07596	0.5
95.04980	0.5
97.02895	1.2
98.97588	0.4
99.04482	0.4
104.86673	0.4
105.07010	0.4
107.07082	2.0
109.02129	0.3
109.02872	1.2
109.40736	0.3
110.07143	0.4
117.03398	0.7
117.05515	0.4
117.09068	0.5
121.02896	0.7
121.06493	0.4
123.04457	0.5
127.03921	1.2
130.08661	1.0
131.04892	0.4
131.07040	1.3
133.08612	57.5
137.06004	1.0
145.02841	2.1
147.04407	0.9
149.05951	0.6
151.03880	0.4
151.07542	0.8
158.02686	0.4
161.05992	0.6
163.04037	0.4
164.07069	4.4
167.07010	0.3
175.09746	0.9
177.05501	5.6
177.11234	27.3
178.08694	0.9
193.06499	0.7
193.08548	0.7
195.12286	0.8
211.09702	1.2
215.55002	0.3
219.08554	0.3
221.13858	4.5
234.14894	0.4
239.14893	1.7
265.16519	1.5
273.12674	0.4
283.17538	4.8
284.09299	1.6
284.12195	0.4
285.09781	2.9
286.10052	2.9
287.10651	2.0
300.12369	3.7
301.12662	3.0
302.07559	0.4
302.12933	5.4
309.07419	0.6
309.19260	0.6
327.20181	3.9
339.10907	0.9
353.21783	0.7
371.22784	81.8
372.23071	0.5
388.17389	0.9
407.50150	0.3
421.16284	0.4
423.69504	0.3
506.19586	1.9
506.26517	0.5
532.18817	0.4
550.17932	8.2
550.31042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.2
55.01843	0.6
59.02861	0.7
69.03403	1.6
69.23512	1.9
69.23920	4.2
71.04972	1.5
80.04948	0.6
81.03416	4.2
83.68875	0.7
85.02915	4.1
91.05468	0.7
93.05798	0.7
97.02901	4.1
104.04979	0.6
105.57021	0.6
106.06540	1.4
108.08103	2.1
109.02872	1.4
127.03920	2.1
130.06534	12.0
131.07295	0.8
136.07587	6.2
154.06519	0.8
161.05962	1.4
165.06952	1.6
166.06459	1.5
167.07341	1.0
167.08623	0.8
168.08089	2.4
180.08098	2.0
181.07445	0.8
181.08850	1.9
183.09210	1.1
191.07324	0.9
192.08162	4.4
193.07477	3.3
193.09108	1.3
194.08203	1.0
194.09685	8.9
195.09207	1.2
204.08128	9.4
205.07571	3.9
206.08327	13.0
207.09183	98.4
208.09923	4.5
219.09241	3.3
220.09990	6.3
221.10741	100.0
222.11459	5.6
223.12305	21.2
223.14490	1.3
224.12837	0.7
239.11800	31.6
249.10286	14.6
252.08893	3.3
253.09674	1.1
253.13448	1.5
254.10703	1.7
267.11298	59.4
268.12042	0.7
281.12845	3.4
285.12411	1.7
296.63507	0.7
299.13885	10.2
301.12964	0.8
304.01694	0.7
309.12384	2.6
309.26141	0.7
375.13422	1.4
393.14474	49.9
411.15500	20.9
425.17056	17.8
443.17993	6.1
517.21863	31.3
549.24524	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	549.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.6
69.68842	1.0
69.69254	2.4
71.01369	2.9
73.02921	4.3
83.44888	0.5
85.02914	5.0
91.05479	1.1
93.15569	0.4
95.01341	1.3
95.01909	0.6
97.02883	0.6
101.02348	1.6
113.02357	2.3
121.02843	0.5
130.06509	1.8
131.03387	0.7
141.01825	1.9
162.58420	0.5
165.06984	1.7
166.06525	0.9
167.07327	0.9
167.08588	1.0
168.08115	4.0
177.06902	0.5
180.08066	1.4
181.08896	1.2
191.07266	0.7
192.06664	0.6
192.08109	4.7
193.07607	2.2
193.09045	1.2
194.08221	0.7
194.09698	8.7
195.09180	0.9
204.06311	0.9
204.08089	7.0
205.07608	2.5
206.08360	10.2
207.09190	66.4
208.09966	4.6
210.09134	1.3
211.08791	0.8
219.09227	4.0
220.09975	4.9
221.10750	76.6
222.11473	2.3
223.12306	14.9
239.11801	46.6
249.10271	6.3
252.08922	2.2
253.09807	1.5
267.11310	42.4
323.13925	8.5
341.14984	59.2
373.17477	1.3
481.16187	0.6
499.16901	2.7
517.18219	100.0
518.18671	0.9
549.20868	19.1
552.91498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01861	0.4
55.05521	0.3
56.96559	0.3
61.02928	0.3
65.03959	0.3
66.04753	0.3
67.05502	1.0
68.99777	1.1
69.03415	0.8
69.96966	0.4
69.97367	0.4
70.06594	0.4
79.05489	2.7
81.03426	0.7
81.07066	1.6
85.02905	0.8
90.94597	0.2
91.05474	0.9
93.07041	0.6
94.04190	1.0
95.04978	1.8
95.08611	0.6
97.02911	0.4
97.06553	0.2
98.20880	0.3
98.97611	0.4
103.05415	0.3
105.04529	0.3
105.07063	0.6
106.61845	0.2
107.04959	0.4
107.08598	0.3
109.02864	0.4
109.06529	7.6
109.10149	0.4
111.04429	0.2
118.04136	0.2
119.04908	0.3
119.08611	0.3
121.06508	0.9
123.04441	0.9
123.11736	0.3
125.06057	0.4
127.03956	0.6
131.08542	0.2
133.06488	0.7
133.10120	0.3
135.08067	0.3
137.05988	100.0
138.06302	0.4
139.03925	0.5
141.05498	1.5
143.08597	0.2
146.03667	0.3
147.04407	0.4
148.10437	0.2
149.06004	1.8
151.07576	0.3
153.05478	32.3
159.11688	0.3
161.05998	14.2
162.03136	0.3
162.06734	0.7
163.03952	0.4
163.07420	0.2
165.05493	0.7
167.07095	0.3
175.07593	0.4
177.05476	3.3
184.07338	0.5
190.03081	0.2
193.04965	1.6
200.89394	0.2
201.09059	0.2
213.09181	0.4
260.07346	0.5
269.08279	0.3
270.08972	0.3
273.11227	0.4
286.04736	0.4
286.08084	0.4
301.10706	56.2
302.11093	0.4
340.56192	0.2
341.13245	0.2
418.93472	0.3
536.13660	0.3
549.32898	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26191	0.4
53.03947	2.1
55.01863	2.1
57.03174	0.3
57.03418	1.7
61.02918	1.0
65.03936	1.2
66.04736	0.5
67.05489	3.0
68.99782	0.9
69.03427	5.9
70.74663	0.4
70.75009	1.1
71.04997	0.7
73.02906	1.5
77.03929	0.7
79.05489	1.9
81.02986	0.6
81.03423	6.6
81.07082	1.7
83.01379	0.5
85.02909	10.8
87.00830	3.7
91.03970	0.5
91.05482	3.0
93.07041	0.5
94.04169	1.0
95.04977	4.0
95.08601	0.4
95.74607	0.3
97.02885	3.6
99.04456	2.4
103.03959	0.3
103.05476	0.6
104.58307	0.3
105.01866	2.0
105.04536	0.3
105.07000	0.7
107.04998	1.6
107.08553	0.3
109.02879	6.2
109.06525	10.6
112.02988	0.3
113.65544	0.4
115.03959	0.4
117.01871	0.7
119.04948	1.1
121.06495	2.4
123.04432	69.2
124.05219	0.4
125.05992	0.8
127.03918	8.8
129.01787	0.7
130.16133	0.3
133.06444	0.4
135.04425	1.4
135.08029	1.2
137.05986	8.7
139.07553	1.3
145.02911	0.4
145.04977	2.6
147.04410	17.5
149.05963	1.6
151.03871	1.0
151.07596	1.9
153.05447	1.1
155.07028	6.4
159.02905	3.1
161.05997	1.2
163.03908	5.3
163.07520	1.3
164.07034	0.4
165.07082	0.4
167.07045	100.0
176.04729	0.5
177.05478	2.6
179.07057	3.8
181.06450	0.6
184.07285	0.4
184.08856	0.4
189.05519	1.3
191.07053	1.8
192.07780	0.9
195.08064	0.8
197.06049	0.5
199.07521	0.4
207.06522	2.0
209.06020	0.3
210.06857	0.4
211.07648	0.9
212.08325	1.5
213.05548	0.5
223.07535	1.3
224.08374	1.4
225.05423	0.5
226.06262	1.1
227.07167	0.4
227.10730	1.2
231.04880	1.7
235.07573	0.5
237.05400	3.5
240.07797	2.7
241.08537	1.1
243.10191	1.2
251.07127	1.6
252.07813	6.0
255.10159	4.0
265.08707	0.3
266.09406	0.7
267.06583	0.4
268.07184	1.9
269.08087	1.3
270.08978	0.5
273.11227	0.8
283.09656	43.9
287.09137	0.7
295.09616	0.4
299.09116	1.4
301.10699	37.2
313.10620	1.1
325.10806	1.0
337.10782	0.4
343.11765	1.6
549.16193	0.8
549.32367	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48674	1.6
61.02923	3.0
68.99783	2.9
69.03432	18.0
69.27282	16.1
81.03430	2.4
83.64128	1.6
85.02913	9.0
91.05492	2.7
97.02887	2.9
107.04962	1.9
109.02883	3.4
119.04952	6.4
121.02885	24.7
121.12264	1.9
135.04436	2.4
137.02382	2.7
137.06018	2.4
145.02763	2.0
149.05966	3.1
151.03917	8.1
163.03896	2.1
165.01848	10.3
166.08363	1.9
177.01794	2.9
183.02908	4.1
187.03831	3.7
189.01828	5.3
191.03453	3.8
195.02892	4.0
203.03401	7.9
207.02927	3.9
215.03424	4.2
217.04997	3.5
219.02954	3.6
221.04469	3.1
227.03271	2.3
229.05014	4.2
231.06618	1.8
243.02847	2.9
261.03836	2.1
267.06418	2.7
268.07281	3.5
270.05301	4.2
272.06836	2.4
279.06638	5.8
280.07275	2.0
281.08224	3.4
282.05179	2.1
283.06024	6.4
284.06766	2.8
286.04684	3.9
291.06503	2.9
292.07211	3.8
293.08026	2.9
294.05206	11.1
295.06024	31.6
296.06714	5.4
297.07678	5.5
298.04758	21.4
300.06320	6.9
301.07022	17.3
305.08109	3.4
307.06030	24.9
308.06799	11.6
309.07397	10.4
310.04761	6.7
310.08331	3.7
311.05499	5.3
311.09119	2.8
312.06168	3.9
313.07059	100.0
314.07932	11.0
319.06097	5.0
320.06821	7.0
321.07590	25.1
322.08054	3.9
323.05667	2.4
323.09109	4.4
324.06189	2.2
325.07092	52.5
325.10532	2.7
327.08557	6.1
328.05725	17.1
329.08139	2.0
331.09506	2.5
333.07593	13.4
334.08395	2.6
335.09052	14.5
336.06216	4.7
337.07071	40.9
338.07901	7.8
339.08698	8.5
341.06799	2.3
343.08127	94.7
345.07471	5.8
347.09146	6.1
348.06229	4.1
349.07047	21.8
351.08691	17.4
353.06592	2.4
353.10184	11.0
355.08054	8.5
359.09042	5.1
361.07117	11.2
362.07898	2.3
363.08533	19.5
365.06165	3.1
367.08051	18.9
373.06940	5.4
375.08832	10.8
379.08121	48.5
381.09692	6.7
387.08694	8.2
389.10269	3.2
391.08136	33.5
393.09570	12.9
397.09271	21.9
405.09644	14.5
409.09229	59.0
411.10822	17.6
413.10242	3.8
415.08386	4.1
423.10672	9.1
427.10275	43.2
429.10297	2.7
431.11240	3.1
433.09283	7.7
441.11594	7.9
445.11087	9.6
447.10712	6.3
451.10101	5.4
459.10791	9.8
463.12299	3.3
465.11874	11.3
465.17892	2.6
469.11343	15.5
477.11819	12.4
483.12970	12.7
487.12347	7.7
495.12927	59.4
513.14252	44.8
531.11578	14.6
549.12109	28.5
549.24609	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	549.1605
Annotation	Chrysin 6-C-alpha-L-arabinopyranoside-8-C-glucoside
Peak:m/z	Relative Intensity
56.46341	2.9
61.02921	4.3
62.90068	3.0
69.03428	10.2
69.60661	7.4
69.61067	13.8
70.06564	4.3
73.02950	4.0
75.06745	2.5
81.03402	4.2
85.02897	9.6
86.03207	2.8
91.05483	4.1
97.02874	4.9
100.49623	2.5
103.05505	3.4
105.02814	3.2
105.03413	34.6
105.07083	3.1
107.04940	4.1
109.02875	5.9
119.04996	4.7
121.02923	13.4
121.03637	2.8
127.97452	3.1
136.07578	3.2
137.05980	8.1
145.02907	3.1
149.06090	3.5
151.03949	2.9
151.07518	3.5
161.05922	4.3
163.03963	3.1
164.07031	3.4
167.07028	3.6
177.01898	6.4
181.04932	3.4
187.03900	3.2
189.01849	10.9
191.03401	8.1
195.02887	7.6
199.03947	3.6
203.03386	19.7
205.04948	3.6
207.03035	6.6
207.13736	4.3
215.03368	6.9
217.05028	6.1
219.02914	3.6
221.04486	4.2
221.08025	3.6
229.04971	4.5
233.04553	4.9
241.04913	5.3
243.02998	3.7
251.07016	5.4
252.07741	3.5
263.07098	7.1
265.08463	3.5
267.06613	8.9
268.64203	2.8
275.06982	4.8
277.08640	6.6
278.05798	24.6
279.06528	98.1
280.07239	10.5
281.08130	11.5
289.08578	4.3
291.06531	69.4
292.07306	17.8
293.05130	4.2
293.08051	21.6
294.05301	6.7
295.05991	14.8
297.07571	11.2
301.08441	4.7
303.06488	11.1
304.07333	5.6
305.08121	42.7
306.05771	2.9
306.08853	12.4
307.05966	20.5
307.09601	9.6
308.06775	4.3
309.07562	88.5
311.05362	4.0
313.07233	9.0
317.08051	24.5
318.08841	3.4
319.06219	5.4
319.09573	18.2
320.06750	6.9
321.07547	71.4
322.08350	4.8
323.09067	4.9
325.06982	17.7
329.07983	7.5
331.09531	18.9
333.07584	61.0
333.11362	5.4
334.08441	3.6
335.09103	31.2
337.07111	19.4
339.08575	13.5
341.07825	4.0
343.08615	4.9
345.07495	24.5
347.09070	13.6
349.06879	10.5
349.10773	7.3
351.08572	14.2
357.07605	5.6
358.08194	3.8
359.09161	14.5
361.06989	8.1
361.10895	4.3
363.08600	100.0
367.08234	7.4
369.07498	6.0
371.09143	6.4
373.06702	4.4
375.08585	36.9
379.08191	15.2
381.09714	54.8
385.10754	3.5
387.08533	30.0
389.10284	14.3
391.07959	9.7
393.09705	45.9
399.10413	15.2
399.15662	4.4
401.10233	4.5
403.07843	3.5
405.09747	26.7
409.09082	11.8
411.10886	35.9
413.10223	5.1
417.09619	21.1
423.10764	23.6
427.10141	12.0
429.11670	31.3
435.10815	43.1
441.11810	42.0
445.11450	4.4
447.10687	9.5
451.10468	4.6
453.11740	44.4
459.10785	17.5
465.11835	44.9
469.11334	8.9
477.11716	42.2
483.12924	35.0
495.12891	78.5
504.38663	3.0
513.13873	78.9
531.14941	28.0
549.13263	5.9
549.24438	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	549.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12416	0.8
53.03924	1.0
55.01872	1.2
61.02909	1.4
63.66985	0.6
68.73734	0.8
68.99789	1.9
69.03408	2.0
69.86039	1.6
69.86444	2.5
73.02917	4.3
79.05492	1.3
81.03413	2.7
85.02912	8.3
87.00797	2.3
89.06014	2.3
91.05473	1.8
97.02866	1.3
105.03378	1.1
109.02874	3.0
119.04967	0.7
119.08599	1.0
120.08121	0.8
121.02855	0.7
121.06499	1.1
123.04471	1.3
123.08075	0.9
125.06010	1.1
127.03874	1.0
129.01842	1.1
131.04950	1.0
133.08598	1.4
137.05975	5.1
141.01836	0.9
143.36542	0.7
145.10185	0.7
147.04327	0.9
149.02350	1.0
149.05989	1.7
151.03928	6.0
151.07611	1.8
155.79002	0.7
163.03897	1.1
165.01807	8.1
167.03419	2.2
167.07115	1.1
175.03815	1.6
177.01840	1.2
183.02892	2.2
187.03928	1.0
193.04959	0.7
195.02882	2.0
205.04955	1.3
207.13898	1.3
215.03374	1.7
221.08113	0.8
233.04413	1.1
233.11775	0.7
241.89476	0.7
243.02922	1.3
254.05734	1.2
257.04376	1.2
259.05984	0.8
261.03763	0.9
268.07336	1.5
269.08179	0.6
270.05283	2.3
271.06021	3.0
272.07104	0.7
282.05203	6.3
284.07080	0.8
285.07599	1.4
286.04691	2.6
294.05069	0.8
295.06219	1.8
296.06760	9.5
297.07660	4.9
298.01279	0.8
298.04721	14.8
299.05527	2.5
300.06302	10.0
301.07074	6.2
309.07608	2.6
310.04724	6.9
310.08350	6.3
311.05707	1.1
311.09030	6.2
312.06329	2.0
313.07047	60.4
314.07901	6.4
320.06668	4.3
322.04633	1.0
323.05557	1.5
324.06238	14.4
325.07062	13.0
325.10751	2.9
327.05234	1.2
327.08664	3.8
328.05789	20.8
335.09222	3.5
337.07114	3.0
338.07870	12.2
339.05038	1.6
339.08624	20.1
341.06458	2.3
343.08130	100.0
348.06256	5.1
349.06894	1.2
351.08575	1.1
352.05762	2.2
353.06613	1.1
353.10211	25.8
355.08228	0.8
363.08594	9.7
366.07385	2.6
367.08133	52.3
376.05792	2.1
379.08014	1.7
381.09747	6.1
391.08096	9.5
394.06906	2.7
397.09268	2.8
409.09192	57.9
427.10156	7.8
445.11292	5.9
451.10477	1.7
469.11298	4.8
487.12396	1.3
495.09119	2.2
513.10297	45.4
531.11328	18.7
549.12341	8.8
549.20874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97934	0.1
69.03379	0.1
70.80693	0.3
78.88418	0.1
81.03387	0.2
85.02879	0.3
91.05494	0.1
119.04946	0.1
120.44518	0.1
125.79053	0.1
127.03839	0.1
137.05954	0.3
147.04449	0.1
149.05971	0.3
151.03873	0.1
153.01830	1.0
167.07074	0.2
175.03804	0.1
175.07578	0.1
193.57498	0.1
197.72160	0.1
203.25179	0.1
213.05479	0.1
229.04929	0.4
230.05589	0.1
241.04935	0.4
257.04428	0.2
258.05255	11.5
269.04428	0.6
283.06268	0.1
285.04001	0.2
286.04733	34.0
287.05020	0.2
301.07071	100.0
302.07370	0.5
307.09738	0.1
315.08472	0.2
388.98318	0.1
463.12357	2.1
505.13531	0.2
531.11383	0.3
549.12421	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	549.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01877	0.8
57.03442	1.1
60.08226	0.6
61.02922	2.1
64.29618	0.6
68.99792	2.6
69.03427	1.1
70.06579	0.6
71.57374	0.9
73.02948	1.5
81.03416	1.9
85.02911	9.8
86.09732	0.8
87.00812	2.1
89.06036	1.3
91.05472	1.5
97.02914	1.0
97.06499	1.0
99.04508	0.8
101.53563	0.6
103.03951	1.1
105.03385	0.8
105.07034	1.0
107.04933	0.9
107.35007	0.6
108.47846	0.6
109.02892	1.9
117.03313	0.5
121.02876	1.8
121.06512	1.0
123.04428	1.1
123.08105	0.8
125.06017	1.3
127.03964	1.7
129.01845	1.0
131.04907	0.7
133.59607	0.6
137.05992	3.1
141.01796	0.9
149.02397	1.7
149.05988	2.7
151.03891	6.4
151.07532	1.1
163.03951	1.3
165.01849	9.0
167.03377	2.2
167.07069	1.3
175.03954	2.2
177.01791	1.8
177.05548	1.4
183.02945	2.3
187.03915	2.0
189.01732	0.9
191.03394	1.3
195.02921	1.9
205.04959	1.6
207.03011	0.8
207.13760	1.7
215.03468	1.5
217.04980	1.3
229.04942	1.3
233.04492	1.0
243.02966	2.0
243.06516	1.1
254.05841	1.5
258.05060	0.9
259.06122	0.9
264.68204	0.6
268.07321	1.5
270.05206	2.7
271.06033	3.3
272.06738	1.1
282.05261	7.0
282.08517	1.0
284.06958	0.7
286.04675	2.2
295.05960	1.3
296.06818	10.9
297.07562	5.3
298.04733	17.5
299.05429	1.8
300.06268	7.8
301.07050	7.9
309.07535	3.1
310.04749	6.2
310.08328	6.8
311.05472	1.4
311.09009	7.3
312.06299	2.0
313.07065	57.4
314.07886	5.6
320.06750	3.8
321.07834	0.9
322.04843	0.7
323.05539	2.0
324.06293	14.1
324.10074	1.1
325.07074	14.2
325.10754	3.3
327.05188	1.4
327.08676	3.7
328.05774	19.5
335.09213	3.2
337.07114	4.1
338.07883	11.6
339.05118	1.2
339.08636	18.5
341.06622	2.6
343.08142	100.0
348.06458	4.3
349.07083	1.4
351.08578	1.4
352.05927	2.0
353.10217	26.8
363.08630	9.5
365.06360	1.5
366.07343	2.2
367.08145	49.1
376.05713	3.1
379.08212	1.8
381.09689	6.0
391.08148	10.8
394.06854	3.5
397.09033	1.5
409.09204	61.6
411.11041	0.9
412.73712	0.7
427.10349	7.5
441.11075	0.7
445.11127	4.9
451.10361	1.0
469.11462	4.7
483.12799	1.0
487.12436	0.9
495.09143	2.2
513.10278	43.4
531.11346	19.0
549.12268	6.8
549.25092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1244
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
68.99790	0.3
69.03417	0.3
69.31724	1.9
69.71230	0.2
81.03401	0.3
85.02892	0.4
91.05482	0.3
107.04977	0.3
119.04911	0.3
121.06528	0.3
123.00763	0.4
124.01542	0.3
126.06690	0.3
127.03867	0.5
131.04893	0.3
134.03648	1.9
137.05971	0.4
145.06522	0.3
149.02370	0.7
152.01056	0.6
153.01834	5.7
153.05473	0.7
157.06493	0.3
170.02151	0.5
171.04367	0.3
184.05283	0.3
199.03940	0.5
201.05548	0.5
202.06236	0.6
213.05475	2.4
218.07405	0.3
229.04984	2.5
230.05757	2.1
241.04967	7.9
245.08112	1.0
258.05264	0.8
268.03683	0.3
269.04474	11.3
273.07547	0.4
285.03806	1.0
286.01477	0.4
286.04721	13.6
301.07071	100.0
302.07382	0.5
307.09735	0.3
323.08029	0.3
327.07886	0.2
339.12442	0.3
393.08713	0.4
463.12323	0.7
483.12067	0.3
495.11609	0.4
513.13086	0.5
548.34692	0.6
549.12549	2.0
549.35455	0.2
549.72620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.1
56.05020	0.3
58.06598	0.4
59.33768	0.3
60.07883	0.3
60.08166	4.8
67.05493	0.8
69.03416	0.3
69.07062	0.6
71.07394	2.2
71.08619	0.3
79.05487	0.4
81.03414	0.3
81.07033	0.7
83.08581	0.3
85.02895	0.5
86.09708	26.2
91.05465	0.8
93.07015	0.4
95.08585	0.5
98.97552	0.6
98.98458	2.3
104.10746	3.5
107.07314	0.8
107.08558	0.3
118.06523	1.9
120.08099	0.4
125.00010	17.6
130.06523	1.1
131.07333	0.6
132.08087	1.7
133.08891	0.6
133.10114	0.4
140.01518	0.3
144.08081	0.8
146.09644	2.7
158.09605	0.8
159.10373	0.3
160.11195	0.6
172.11192	0.3
184.07343	87.3
188.14360	1.2
202.15926	2.6
216.17520	2.6
228.17455	1.0
230.19069	0.7
256.17001	1.4
256.19934	0.3
258.11246	0.4
270.18576	0.4
312.26993	0.4
324.26971	2.2
340.26443	4.1
358.27209	1.1
368.25845	12.8
386.26895	8.6
404.27975	1.2
460.30695	0.9
474.35803	20.0
478.31604	0.6
530.28650	1.2
548.30133	6.6
548.39441	100.0
549.39777	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.3
57.47430	0.2
61.02875	0.3
69.03342	1.5
69.19244	2.3
70.06516	0.5
71.04904	0.2
72.08091	0.3
72.49375	0.3
73.02850	0.5
77.16814	0.2
81.03321	1.2
81.30231	0.2
84.04433	0.3
84.08068	0.3
85.02807	2.2
86.09628	0.6
87.00780	0.4
91.05482	1.1
97.02885	1.1
99.04369	0.3
99.11777	0.2
101.22488	0.3
103.03849	0.3
105.01805	0.3
105.64533	0.2
107.04871	0.3
109.02768	1.0
115.05479	0.2
119.04829	0.4
123.04333	0.3
127.03938	1.6
130.06511	0.3
138.05351	0.2
138.18666	0.3
145.04843	0.4
149.05870	0.3
151.07570	0.4
159.02840	0.2
161.05931	0.3
162.05450	0.4
164.07069	4.7
165.06956	0.5
167.69997	0.3
176.07018	0.3
179.08498	0.8
182.09644	0.3
184.07571	0.3
187.06059	0.3
189.07016	0.3
190.07697	0.9
191.08556	5.5
192.08133	0.3
193.03130	0.5
193.06586	0.2
193.08789	1.1
196.07434	0.4
196.11157	0.9
197.11961	0.4
205.06482	0.2
206.09610	0.5
207.08092	0.5
208.08917	0.7
208.11191	4.5
209.09572	0.4
210.09122	2.5
213.07759	0.5
215.09509	0.4
218.07269	0.6
219.08058	7.1
220.08759	0.6
221.08321	0.6
222.09074	0.6
224.07100	2.5
224.10669	5.0
225.07799	0.4
225.11476	5.6
226.08531	0.5
228.10098	0.3
229.10841	0.4
234.09055	0.5
235.07570	0.2
235.09761	0.4
236.08289	3.0
236.10680	9.0
237.11444	1.1
237.61107	0.2
238.08617	5.3
239.09302	1.4
240.10143	0.5
250.12387	0.3
251.10577	4.4
252.10175	5.0
253.10982	25.0
254.11691	0.5
266.11783	5.0
267.12558	0.9
268.13318	100.0
269.13919	0.6
280.13269	0.6
284.09143	1.6
285.09872	1.6
292.13336	0.4
299.98456	0.3
300.12326	4.9
300.15726	0.5
310.14432	1.0
348.72104	0.3
360.05634	0.3
452.55334	0.3
454.18881	0.4
472.19666	3.4
492.82440	0.3
504.22607	8.4
516.18628	10.3
548.21570	25.1
549.21887	0.4
568.09241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	0.5
69.18748	0.6
69.19147	2.9
70.06574	0.7
70.54066	0.3
81.03420	0.6
84.04500	0.5
85.02885	0.8
86.09702	0.5
91.05450	0.8
97.02884	0.5
105.07014	0.6
109.02820	0.4
120.08195	0.4
121.02842	0.6
121.06541	2.2
123.04405	0.9
125.04778	0.7
127.03906	0.5
130.05002	2.0
130.06548	0.3
138.05478	1.3
139.06264	0.4
143.04970	0.4
147.04396	0.5
149.04807	0.4
149.05937	0.6
150.05486	0.4
151.07578	1.9
152.07043	2.0
154.60400	0.3
161.05908	0.5
162.05539	1.2
163.06335	1.8
163.07512	0.5
164.07097	2.9
176.07045	1.2
177.07838	0.5
190.08725	0.5
236.10765	0.4
238.08670	0.8
248.10733	0.9
250.10748	2.1
252.10199	0.3
253.10960	0.5
254.11739	1.4
256.09912	0.4
264.10104	0.4
266.08093	0.9
267.08801	0.4
268.09680	0.4
268.13333	1.3
269.13699	0.5
270.07712	0.7
271.08411	0.4
282.08472	0.4
282.11252	2.5
283.08548	0.5
284.09201	47.9
285.09979	49.7
295.06058	0.4
298.10760	0.9
299.11478	1.6
300.12326	100.0
301.12793	0.6
301.16199	0.5
318.84491	0.3
335.41733	0.3
386.19623	0.6
427.07202	0.3
482.11865	0.4
504.18704	18.3
530.13165	0.5
548.17664	70.3
549.18109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59461	2.6
51.79916	2.4
53.03948	6.3
55.01860	6.2
55.05508	23.1
57.03427	7.7
57.07055	7.7
59.05009	5.6
64.77809	2.5
65.03920	3.7
67.05508	80.7
69.03393	2.6
69.07071	24.7
69.20945	5.2
69.21339	24.6
71.00928	3.0
71.04980	7.5
71.08628	5.7
79.05067	4.1
79.05495	45.5
80.56403	2.5
81.03437	5.7
81.06585	5.7
81.07060	100.0
83.04984	5.7
83.08611	18.9
84.25842	2.7
85.06512	3.1
89.06042	4.3
91.05487	41.3
93.07044	43.0
95.04964	8.2
95.08609	57.9
97.06546	16.7
97.10159	6.9
99.08096	5.8
105.07042	37.6
107.08591	34.2
109.06496	4.0
109.10171	21.5
109.36924	3.1
111.08023	6.7
117.06992	9.3
119.08608	28.7
121.10133	24.6
121.64964	2.5
123.08064	4.4
123.11709	12.6
125.09607	4.1
126.86766	2.6
129.07002	3.5
131.08553	22.5
133.10127	20.9
135.11723	15.8
137.09628	4.1
143.08511	6.5
144.09264	3.0
145.10126	18.1
147.11699	25.5
149.13240	10.3
155.08588	3.0
157.10086	9.4
159.11728	15.0
161.13205	6.6
165.12753	11.6
171.11703	8.0
173.13263	9.7
175.14832	3.8
177.12785	4.2
181.10112	3.0
185.13200	6.7
187.14854	4.5
193.12328	3.8
195.13838	6.2
199.14978	3.1
261.22076	3.1
267.15808	17.4
269.17566	13.4
275.70505	3.0
287.23871	3.0
299.23795	2.9
305.24194	3.3
333.24228	3.7
335.25671	6.3
437.34277	15.6
455.35324	16.3
473.35947	6.3
511.38129	4.4
529.38922	75.1
547.36548	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01866	2.0
55.05269	1.8
55.05513	23.3
57.03435	2.4
57.07079	5.8
58.85134	0.9
59.04987	1.0
65.03925	3.0
67.05509	52.9
69.03423	1.2
69.07072	33.7
69.84782	4.9
71.04993	6.7
71.08636	3.2
73.06544	1.2
76.07603	1.0
79.05495	39.0
79.05964	2.3
81.07062	54.9
83.04973	2.9
83.08153	1.4
83.08623	27.1
85.06529	4.0
85.10197	1.6
89.06040	6.7
91.05487	21.9
93.07047	55.6
95.04949	3.3
95.08611	34.4
95.09231	1.3
97.06542	12.6
97.10191	5.6
98.21412	1.9
99.08060	1.7
101.05991	2.0
105.04487	1.8
105.07037	17.4
107.04894	1.0
107.08600	32.1
109.10163	17.7
111.08095	10.7
115.07582	1.7
116.65452	1.0
117.07013	5.4
119.08590	12.9
121.10151	26.5
123.08095	1.5
123.11715	6.9
125.09619	4.4
125.13242	1.2
129.06979	1.0
131.08572	11.1
133.08585	4.9
133.10132	9.3
135.11691	13.6
143.08563	1.7
145.10114	7.5
147.11726	6.7
149.13266	39.5
157.10118	2.6
159.11691	11.0
161.13263	3.2
163.14844	2.7
167.13007	1.2
167.14331	13.1
169.10054	1.4
171.11720	2.2
173.13268	5.4
175.14847	2.0
177.12743	3.0
177.52324	1.5
179.14203	1.0
181.10054	0.9
183.89688	1.0
185.13344	1.3
187.14764	2.2
195.13806	3.8
221.13313	1.0
231.15915	38.2
231.18211	1.9
231.40312	1.0
243.21069	4.4
251.18040	1.2
261.22162	18.7
267.11646	1.0
269.17484	46.9
287.18512	2.8
317.24716	3.9
437.34186	1.3
455.34763	2.0
473.36139	2.3
529.38788	7.7
547.22534	2.4
547.40112	100.0
548.39777	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1455
Annotation	Dehydrogaertneroside
Peak:m/z	Relative Intensity
51.85735	1.5
55.01863	4.9
61.41194	1.5
67.93918	1.6
69.48150	12.4
70.06577	2.2
72.54775	1.6
75.68248	1.6
81.03445	2.8
83.61098	1.4
85.02905	2.1
86.14796	1.6
91.05474	4.2
98.21513	2.1
98.97572	1.6
102.64322	1.5
105.07043	2.5
107.04950	5.7
119.04943	10.0
121.02872	33.6
127.03895	2.3
137.05963	2.7
145.02853	4.8
147.04407	3.1
157.30984	1.5
158.27934	1.7
163.03957	3.0
165.01878	2.7
175.03883	3.0
175.07378	2.0
176.00972	2.5
177.01834	4.6
177.05463	3.4
179.03337	3.1
187.03926	4.9
189.01808	8.7
191.03358	5.5
195.02921	5.8
199.03983	4.0
201.05508	2.7
203.03427	15.2
205.04912	2.1
207.02863	5.5
215.03384	10.1
217.04916	3.7
219.02856	3.0
221.04486	4.4
229.04909	3.2
231.02917	3.6
233.04465	2.7
243.02960	5.1
245.04591	2.0
255.06615	2.5
257.04605	2.3
267.06625	3.4
268.07291	4.4
271.05991	2.3
279.06558	4.8
281.08191	2.4
283.06039	18.2
284.06653	1.9
291.06491	1.7
293.08047	4.3
294.05289	9.3
294.85934	1.6
295.06003	68.2
295.09354	3.3
296.06766	7.2
297.07507	15.3
299.05637	13.5
299.08795	3.2
305.08163	3.5
306.08688	2.6
307.06027	57.1
307.09213	2.0
308.06799	11.5
309.04089	2.9
309.07559	26.7
311.05264	2.1
312.06253	6.0
313.07126	4.5
317.07947	4.2
319.05927	9.9
320.06726	7.1
321.07605	42.9
322.08246	3.9
323.05408	5.3
323.09143	6.5
324.06305	3.5
325.07059	52.9
326.07889	3.9
329.08081	2.3
333.07568	34.1
334.08289	5.2
335.05399	6.1
335.09167	14.0
336.06241	5.4
337.07080	33.5
339.08676	3.1
345.07596	9.4
347.05380	3.7
347.09164	6.9
349.03101	2.6
349.07077	37.7
350.07727	2.4
351.08609	17.4
353.06470	6.0
355.08145	1.9
361.07047	39.6
361.11261	3.1
363.08572	19.2
365.06509	5.3
365.10495	2.4
367.08029	5.6
373.06894	10.0
375.08777	7.7
377.06445	6.0
378.07300	1.9
379.08093	35.7
389.06131	2.9
390.07288	3.9
391.03040	3.1
391.08105	61.5
391.13043	3.4
393.09729	4.8
395.07623	3.8
397.09027	1.9
401.10211	4.7
403.08151	7.3
405.09662	2.4
407.07480	11.0
408.08249	5.7
409.09213	43.4
415.09906	2.4
419.11978	2.3
421.09143	11.9
425.08517	2.3
427.10089	22.9
429.09451	3.8
431.07376	3.2
433.09125	2.5
439.10132	16.5
445.08780	2.1
447.10712	5.3
457.11411	17.9
463.09930	8.5
465.11765	2.0
470.56601	2.1
475.10168	16.9
481.11270	58.1
493.11273	63.6
511.12354	100.0
515.28882	2.0
529.13287	25.5
547.14215	4.4
547.34521	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	546.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05513	4.9
57.03426	3.2
57.07060	1.4
59.04971	0.7
62.06076	1.1
67.05509	8.0
69.03422	1.1
69.07067	6.6
69.95428	3.0
71.05006	1.0
71.08629	4.2
79.05491	4.4
81.03455	0.8
81.07063	12.6
83.04963	1.5
83.08624	3.7
85.02890	1.0
91.03932	0.8
91.05484	5.1
93.07067	6.8
95.08606	9.8
95.30665	0.8
97.06508	1.9
97.10146	1.8
98.98476	3.1
99.08096	2.9
105.07048	5.2
107.08604	7.6
109.06520	6.3
109.10207	3.7
110.43905	0.8
111.08057	2.0
117.07062	0.8
119.08591	9.8
120.03701	0.7
121.06544	1.0
121.10155	6.0
123.08080	13.8
123.11719	2.3
125.09610	1.0
126.82603	0.8
127.03907	0.8
131.08580	2.3
133.10132	7.4
135.08069	8.4
135.11710	3.4
137.09567	1.4
137.13293	0.9
145.10051	3.7
147.11716	5.7
149.09608	2.6
149.13283	2.6
149.27466	0.8
157.10129	1.2
159.11699	2.3
161.09660	1.2
161.13347	1.5
163.11214	1.3
165.12857	0.9
167.14323	2.2
173.13271	2.0
175.14851	5.6
177.12791	2.6
177.16431	1.1
179.14330	19.7
185.13159	0.9
187.14896	1.1
191.14346	1.1
193.12300	0.8
193.15901	1.9
205.15939	3.3
209.15213	0.9
216.06271	0.9
219.01871	1.2
231.15889	0.8
263.20041	1.3
267.16006	1.4
275.20084	0.9
277.21713	0.9
279.03906	1.3
289.21658	4.6
293.21133	2.2
303.26935	2.1
308.68518	0.8
319.22525	1.0
331.26315	12.9
337.23846	1.3
347.25830	1.1
349.27469	6.5
361.27301	1.0
374.30591	1.9
375.28928	1.4
387.29184	4.5
405.30017	100.0
430.91385	0.8
481.08499	1.3
485.26611	1.4
503.27545	5.4
546.32098	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	547.1452
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
56.51137	0.1
68.69212	0.1
69.03416	0.3
70.22778	0.3
81.03409	0.2
81.07030	0.3
83.40225	0.1
85.02869	0.3
91.05405	0.2
95.08588	0.2
98.20901	0.2
98.97530	0.1
105.06996	0.3
107.04933	0.2
109.02859	0.1
119.04908	0.1
121.06461	0.2
123.00748	0.2
127.03925	0.2
129.06981	0.1
130.88509	0.1
131.04900	0.2
133.06456	0.2
137.02324	0.3
137.05956	0.2
151.00215	0.4
152.01080	1.2
153.01797	0.2
161.06003	1.0
168.05687	0.3
170.02100	0.3
183.08058	0.6
185.05965	0.3
196.05205	0.2
197.05928	0.3
203.65138	0.1
210.06789	0.4
211.07596	0.7
213.05424	0.4
225.05499	0.3
227.06966	0.2
228.07753	0.3
239.07004	1.9
241.04959	1.0
243.10175	1.1
252.04094	0.4
253.04968	0.6
255.06668	0.7
256.07321	2.4
269.04446	0.8
283.05966	0.3
284.06799	43.2
285.07019	0.1
290.09326	0.1
299.09146	100.0
300.09518	0.4
367.11765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05499	0.8
69.03397	1.0
70.02941	1.0
70.06590	3.2
70.22160	1.6
72.04518	1.0
72.08149	1.5
84.04521	0.8
84.08138	1.4
85.02908	2.5
86.09692	1.2
87.04459	1.1
91.05459	2.0
93.28883	0.7
98.20845	1.0
98.97609	1.3
100.11257	2.8
102.12837	0.8
115.05437	1.0
129.06987	3.0
130.06505	3.9
137.02295	0.9
137.05989	1.7
141.06950	2.9
143.07324	2.4
143.08553	2.1
144.08089	3.1
147.04564	0.7
153.06979	1.5
154.06502	1.3
155.07347	1.6
155.08551	5.4
156.08087	3.5
157.06512	0.9
157.08836	1.8
158.09659	16.5
160.07535	1.8
162.89630	0.7
164.07043	1.3
165.07005	1.4
167.07304	5.1
167.08530	1.4
168.08075	5.0
169.08852	1.5
170.09660	3.8
171.08018	1.3
171.10400	0.9
172.07585	1.3
172.11224	2.5
173.05927	1.1
179.06998	0.7
182.09641	13.3
183.08052	2.2
183.10411	1.6
184.07593	5.1
184.11226	2.0
185.08397	3.3
186.09163	6.7
187.99895	0.8
188.07048	1.2
192.08072	1.1
194.09660	1.3
196.07491	0.9
198.09154	4.0
199.09882	4.7
200.10703	34.4
207.05399	0.8
207.09192	1.2
210.01355	0.9
210.09160	11.9
211.07753	1.1
211.09940	5.6
212.10722	6.4
214.08681	2.8
221.10762	1.2
223.78581	0.7
226.08626	2.9
227.09398	3.0
227.17558	2.5
228.10178	7.7
238.08636	2.8
242.11745	5.8
256.09726	8.0
266.11795	1.5
270.11292	3.0
288.12305	46.9
299.09027	0.8
313.14954	0.8
320.14917	100.0
351.83954	0.8
546.13092	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
57.07069	0.7
67.05496	3.0
69.07056	1.0
79.05491	2.5
81.03401	0.4
81.07062	3.6
83.04956	0.5
83.08595	0.6
91.05494	2.2
93.07052	2.0
95.04960	0.4
95.08623	1.3
105.07025	1.4
107.08583	1.4
109.06551	0.6
109.10165	0.8
117.07040	1.0
119.08591	1.9
121.10143	1.0
129.07060	0.5
131.08583	1.3
133.10129	1.1
135.11752	0.7
143.08594	0.9
145.10207	0.9
147.11749	0.5
155.08589	0.6
157.10159	0.9
159.11685	1.1
169.09969	0.4
173.13368	0.5
183.11800	0.5
185.13240	0.6
259.20599	0.7
348.70209	0.5
396.05576	0.5
435.32248	0.6
453.33990	0.5
471.34448	0.9
527.37317	3.1
531.62805	0.4
545.40277	100.0
546.40948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05502	0.9
57.03419	0.2
67.05509	1.8
69.07069	0.4
69.57819	0.9
69.58231	0.4
70.66448	0.2
71.08631	0.3
77.34383	0.2
79.05494	0.9
81.03420	0.7
81.07051	1.9
83.08627	0.4
85.06602	0.2
91.05476	0.7
93.07053	1.4
95.04963	0.5
95.08617	1.4
97.10192	0.4
98.21432	0.5
105.07050	0.9
107.08606	0.8
109.10155	0.5
117.07036	0.4
117.61141	0.3
119.08611	0.5
121.10166	0.6
131.08527	0.3
133.10060	0.5
135.11687	0.5
145.10133	0.7
147.11751	0.4
157.10149	0.5
159.11707	0.3
161.13234	0.3
163.11229	0.2
173.13199	0.2
177.22162	0.3
178.67694	0.2
179.14323	0.2
193.12396	0.2
227.12816	0.6
235.23907	0.2
261.22342	0.3
267.16028	0.9
271.45718	0.2
301.25311	0.3
333.18628	0.2
335.26016	0.3
353.47452	0.2
435.32605	0.3
453.34692	0.3
471.34393	0.2
527.37122	1.2
545.40277	100.0
546.40637	0.8
568.52820	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
53.03928	4.4
53.63390	1.0
55.01868	2.4
55.05516	16.0
57.03434	3.4
57.07073	2.3
65.03934	3.8
67.05512	58.3
69.07072	20.1
71.04990	3.6
71.08595	1.5
79.05501	45.7
81.03439	1.2
81.07064	100.0
83.05002	7.1
83.08294	0.9
83.08640	9.4
85.06542	4.4
91.04905	1.3
91.05488	37.1
93.07055	44.0
95.04980	4.9
95.08617	38.2
97.06550	7.6
97.10182	2.7
98.21523	2.3
99.08089	3.4
103.05470	1.6
105.04575	1.3
105.07040	42.8
107.04980	1.6
107.08599	27.1
109.06548	5.3
109.10165	11.9
111.08072	3.1
117.07022	5.5
119.08592	30.6
121.10154	29.7
123.08092	4.3
123.11720	27.9
125.09634	2.0
127.07581	2.2
129.07043	2.4
131.08588	11.1
133.10143	9.0
135.11711	11.2
137.13284	3.5
143.15617	1.0
145.10153	7.9
147.11702	59.4
149.09657	1.3
149.13304	6.0
157.10216	2.5
157.35497	1.0
159.11639	5.5
161.13318	3.5
163.11218	1.4
163.14799	2.6
165.12770	26.5
173.13287	4.8
175.11221	1.4
175.14854	2.0
176.24788	1.3
179.14328	1.1
183.13815	4.5
187.14867	2.1
193.12273	1.6
220.05174	1.0
229.14290	5.4
243.21107	3.6
261.22189	17.3
267.15939	69.3
285.16959	3.6
308.83820	1.1
317.24829	3.5
435.32996	1.5
453.33658	3.2
471.34854	3.0
527.37378	11.1
544.85443	1.1
545.38440	73.2
546.38269	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	1.2
51.85134	0.9
53.03939	4.0
55.01884	2.8
55.05514	18.2
57.03439	3.7
57.07079	2.4
59.67063	0.9
62.22217	1.0
65.03946	3.3
67.05508	55.3
69.03430	1.7
69.07071	18.7
71.04993	4.4
71.08633	1.0
79.05496	48.3
81.03421	2.1
81.07060	100.0
83.04988	6.3
83.08623	10.6
83.83928	1.1
85.06551	5.2
88.90427	0.9
91.05484	39.3
93.07048	46.3
95.04984	4.2
95.08607	38.3
97.06561	5.1
97.10194	1.7
99.08114	3.4
101.06020	0.9
105.04511	1.2
105.07035	42.8
107.08600	26.3
109.06544	3.7
109.10155	9.1
111.08077	1.6
113.06042	1.7
115.05509	1.2
117.07020	6.0
119.08588	33.7
121.10150	33.4
123.08120	3.0
123.11709	26.2
125.09673	1.7
127.07587	3.0
129.07021	1.7
131.08580	9.6
133.10138	9.4
135.11697	10.3
137.09618	1.5
137.13287	1.8
141.09113	1.1
145.10147	7.1
147.11699	57.5
149.09706	1.6
149.13266	6.4
157.10252	1.6
159.11729	4.4
161.13336	3.6
163.14876	1.9
165.12772	30.3
165.14130	1.9
171.11740	1.3
173.13298	3.0
175.14853	1.7
183.13893	4.1
187.14882	2.2
193.12283	1.5
229.14314	6.7
233.22653	1.0
243.21141	2.6
245.40666	1.0
261.22186	16.9
267.15924	85.4
285.17078	4.0
317.24814	3.4
333.24411	1.0
410.88342	1.1
453.33722	2.3
471.34854	3.4
527.37360	12.8
545.38464	78.5
551.87982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12674	0.7
52.09384	0.8
52.15700	0.9
53.03939	0.9
55.01892	1.6
57.03439	1.6
61.02922	1.4
67.05511	1.0
69.03429	3.7
69.25709	7.7
73.02907	0.8
79.05501	2.2
81.03415	2.5
81.07049	2.4
83.01319	0.7
85.02493	1.0
85.02917	11.0
91.05470	2.7
93.07054	0.8
94.04189	2.4
95.04958	0.8
97.02914	3.8
98.97596	1.2
103.05476	2.5
105.07035	9.1
107.04968	1.7
109.02892	2.6
109.06509	2.5
109.10165	0.8
115.05459	4.0
121.02889	0.9
122.03660	6.7
123.04424	0.9
126.61384	0.8
127.03905	3.7
128.06241	1.1
131.05009	1.3
133.06500	6.8
137.05988	69.2
141.06969	1.0
145.04961	1.2
146.03625	4.2
147.04437	1.3
149.05983	1.2
153.07054	0.9
159.08076	0.9
161.05994	58.4
171.08125	2.2
175.07555	2.2
177.06891	0.8
181.06424	1.0
184.05249	3.0
187.07556	1.3
189.07149	0.9
189.09509	0.7
191.08549	2.3
192.09348	1.2
199.07565	18.7
202.07790	11.0
203.08568	22.3
203.10420	1.7
204.09346	0.9
205.06538	1.5
207.08041	0.9
219.08011	6.1
220.08858	6.0
221.09674	0.8
228.32436	0.9
230.07330	2.2
231.08066	33.7
232.08817	7.6
233.09564	0.9
235.11172	2.5
237.09142	1.1
245.09673	1.3
247.07527	5.0
248.08325	20.2
249.09184	1.7
255.06540	6.3
258.06891	2.0
259.07556	24.6
260.08353	19.4
261.05344	1.1
261.09128	1.9
262.10016	1.3
263.10696	18.0
265.08679	1.6
275.07007	2.5
276.07883	14.1
277.08792	4.4
291.10165	100.0
292.10840	4.5
293.08167	3.3
295.10052	0.8
295.13275	2.6
308.10471	3.0
323.12799	69.5
383.15292	1.3
386.24020	0.8
395.11304	2.0
425.12201	2.6
449.12067	1.2
449.44879	0.7
479.13391	1.6
509.14380	1.2
545.24957	2.1
545.32904	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	544.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
56.96565	0.7
59.04997	0.6
69.03433	1.4
69.07025	0.6
69.46196	3.8
70.06588	3.1
72.77634	0.5
73.02909	0.5
75.04495	3.6
79.05498	3.1
81.03412	1.2
81.07029	0.8
85.02903	2.5
86.09717	2.0
87.00849	1.1
88.11248	1.0
90.15239	0.6
91.05484	1.3
97.02886	1.1
98.06050	1.6
103.05466	1.1
105.07036	21.0
109.02851	0.7
117.05769	1.6
117.07017	0.6
119.08572	1.7
123.08059	2.6
127.03903	1.3
130.06528	1.5
130.08679	3.3
131.07315	14.5
132.08095	15.2
133.07590	1.7
137.05997	0.9
144.08092	1.7
145.08896	6.1
146.09653	100.0
158.09665	11.2
158.99612	0.6
159.10449	1.2
160.07605	5.1
160.11220	40.5
162.09108	1.3
162.12772	1.4
172.07579	1.5
174.09221	0.8
186.33301	0.6
187.09892	0.7
188.10690	5.5
190.12260	5.5
192.10208	20.3
192.13823	4.6
206.11783	1.9
218.11803	5.0
220.13364	2.6
236.12842	3.9
246.11278	2.5
248.12828	1.7
250.14380	10.2
264.12308	18.3
278.13879	83.0
296.14929	21.5
296.18320	0.8
395.11197	1.0
397.80194	0.6
425.12567	1.0
449.12552	1.0
512.17566	0.8
544.24316	3.2
544.32074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.1
56.06275	2.9
57.03437	2.9
57.07077	97.5
58.04221	8.9
58.07388	1.4
58.16435	1.7
59.05008	40.0
67.05508	8.0
69.07073	7.6
69.24804	2.1
69.25206	13.2
71.04993	3.0
71.08635	100.0
72.05780	17.0
73.02907	6.8
73.06564	17.0
79.05482	3.8
81.07052	10.3
82.07835	4.7
83.04975	2.2
83.08613	4.6
84.07832	1.6
85.06552	2.2
85.10185	90.9
86.07300	3.0
87.04469	26.2
88.05245	4.0
89.05484	2.0
89.06033	36.5
90.01919	58.3
91.05462	4.2
93.07041	3.7
95.08595	6.3
96.09370	3.4
97.06526	1.4
97.10172	3.7
98.07440	1.6
99.11756	9.6
100.08869	1.6
101.06022	2.1
102.06781	2.4
103.07579	15.6
105.06992	2.6
107.08595	3.0
109.10168	3.5
110.22315	1.7
111.11774	2.1
116.08328	4.6
117.09126	11.9
119.08578	2.6
121.08554	1.9
131.07018	3.2
131.08562	2.0
131.10620	1.8
133.08618	14.3
133.10136	2.2
135.11699	1.8
138.14017	6.7
141.16391	12.7
145.08627	1.7
145.10086	2.2
147.10188	4.4
147.11702	2.0
163.14902	1.6
165.11221	2.1
169.15828	7.3
170.09816	1.8
177.11214	9.0
178.07109	8.3
179.12764	2.7
180.12296	3.7
183.17516	1.8
194.14009	2.3
195.12144	2.1
198.19791	4.4
199.20544	12.7
208.15352	3.3
222.09782	18.1
222.16977	5.9
223.15431	6.6
238.16493	2.4
243.23212	6.1
252.18102	5.3
253.16461	7.0
266.12335	2.8
268.17609	3.4
296.20544	1.7
310.22247	2.3
326.21588	1.8
328.16006	12.1
351.43402	1.6
392.33722	16.6
408.33316	3.1
444.62552	1.7
452.35727	2.7
543.37762	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	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03939	3.8
55.01873	4.3
55.05262	1.0
55.05514	12.8
57.03429	2.7
57.07072	4.0
59.05004	2.1
65.03930	3.3
67.05507	35.5
69.03427	2.0
69.07071	9.2
69.25002	6.1
69.25418	1.5
71.05001	3.0
71.08624	2.6
73.02924	1.2
79.05496	44.3
79.69030	0.9
81.03420	2.8
81.07060	37.8
83.04974	3.9
83.08623	8.5
85.10175	2.8
87.04459	0.9
89.06032	3.2
91.05486	23.1
93.07048	55.4
95.04988	8.2
95.08608	42.4
95.09239	0.9
97.02909	2.2
97.06531	4.3
97.10169	1.9
99.04493	3.9
99.08070	1.1
105.04517	1.1
105.07029	13.3
107.04953	8.0
107.08599	35.7
109.06532	2.0
109.10165	7.7
111.04473	0.8
111.08092	1.5
113.05982	0.9
115.05453	1.1
117.07020	13.6
119.08592	16.7
121.06528	4.3
121.10155	20.2
123.08105	0.9
123.11692	1.2
125.05992	2.9
125.09650	0.9
127.07504	0.9
129.06993	2.2
130.07797	0.9
131.08600	6.2
133.08607	3.0
133.10132	8.6
135.08092	2.5
135.11697	42.0
139.07541	1.3
143.08623	2.5
145.10135	23.6
147.11713	4.2
149.13269	3.4
149.50352	1.0
153.12778	1.1
155.08612	1.4
159.11739	3.0
161.13246	1.8
163.11195	44.4
173.09688	1.4
173.13322	2.9
174.39618	0.8
177.11284	1.3
181.12248	13.6
183.11710	0.9
187.14825	1.0
209.11824	1.2
227.12790	100.0
261.22183	5.6
275.20084	1.7
317.24823	2.4
451.32080	2.2
469.33627	1.0
483.62912	0.9
525.35925	3.4
543.20819	2.6
543.36835	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	543.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01865	4.8
55.05514	19.2
57.03431	4.3
57.07079	1.5
61.53901	0.9
65.03949	2.7
67.05511	41.2
69.03443	2.2
69.07074	16.1
69.62361	5.3
69.62776	2.1
71.04978	2.1
71.08624	1.0
79.05062	2.0
79.05502	35.0
80.14220	1.1
81.03419	2.9
81.06581	2.3
81.07063	46.4
83.04977	5.0
83.08627	9.7
85.02899	1.8
85.06548	2.3
87.04478	2.0
89.06025	3.9
91.05490	29.9
93.07053	34.7
95.04977	4.6
95.08611	18.1
97.06544	7.8
97.10181	10.1
98.20807	1.2
99.08105	2.1
105.04527	1.3
105.07037	24.5
107.04959	3.6
107.08604	26.0
109.06525	3.3
109.10156	9.8
111.04454	1.5
111.08098	4.3
117.07027	13.1
119.08580	14.3
121.06551	3.1
121.10157	11.6
123.08070	3.4
123.11709	4.1
125.09634	5.8
128.06215	1.6
129.07007	7.7
130.07816	1.5
131.08589	16.0
133.08604	2.6
133.10149	16.0
135.08069	3.0
135.11717	4.5
141.07021	3.8
142.07793	1.9
143.08559	8.7
145.06535	1.8
145.10132	16.2
147.07976	1.3
147.11700	10.9
149.09624	5.2
149.13248	7.8
152.02457	1.0
155.08574	4.9
157.10175	7.8
159.08128	2.5
159.11703	14.6
161.09729	1.6
161.13269	4.4
163.11188	6.1
167.08646	1.9
169.10187	6.0
171.11688	6.4
173.09621	1.7
173.11948	1.3
173.13235	5.6
173.72772	1.0
175.11165	1.4
175.14876	1.8
177.12758	3.2
179.14325	3.1
181.10150	3.1
183.11710	5.0
185.13185	5.6
187.11182	1.7
187.14900	2.8
189.11212	2.7
191.14340	1.5
195.11752	2.7
195.13710	2.6
197.13332	1.7
199.14844	3.0
205.10516	1.3
207.11815	1.3
209.13387	3.4
211.14870	2.4
213.12920	1.5
213.16554	1.3
221.13356	1.4
223.15009	1.6
227.12737	2.6
229.19450	1.5
239.18040	2.2
257.19067	5.9
259.20569	1.7
267.15988	1.4
269.17566	2.8
275.20090	25.7
279.16028	1.3
283.20615	2.7
293.21286	2.4
299.20572	1.4
299.23843	4.3
300.13980	1.1
313.21631	1.9
339.23135	2.2
357.24426	1.3
415.29886	1.4
423.32693	1.6
431.28070	2.6
433.31207	5.7
451.32111	7.5
468.06290	1.2
469.33279	7.2
487.33817	2.0
515.37665	2.6
525.35760	17.2
543.36908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
57.07077	94.9
59.05002	20.0
63.80789	1.3
69.07071	2.8
70.78639	2.9
70.79009	2.9
71.08632	100.0
73.06554	2.4
76.87966	1.5
83.08616	2.9
85.10184	84.9
87.04475	8.1
89.06035	96.3
99.11749	8.2
103.07589	6.6
105.18856	1.3
117.09112	2.6
118.95959	1.4
130.08621	2.4
131.07027	4.4
133.08609	96.5
141.16371	11.3
158.47734	1.6
175.09676	3.3
177.09669	1.7
177.11215	35.1
198.42319	1.5
199.20520	12.2
221.13846	9.8
239.14847	2.6
243.23209	9.6
265.16330	1.5
273.03821	1.3
283.17587	3.3
309.19116	3.0
314.89792	1.4
327.16241	2.1
327.20148	36.4
328.39987	1.4
367.23117	5.8
385.24570	1.7
525.40204	8.8
542.42487	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	543.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13938	0.4
57.72493	0.5
60.83496	0.5
70.50089	0.9
70.50452	1.0
82.31265	0.4
90.86862	0.4
112.89614	1.3
114.89259	0.6
132.19331	0.6
160.32117	0.5
226.97105	0.5
228.96924	0.7
363.06894	0.9
381.07895	8.7
512.86261	0.5
543.13245	100.0
544.13470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.8
57.03444	2.8
57.07082	100.0
58.04228	5.3
58.28673	1.1
59.05009	45.0
62.29060	1.0
67.05492	1.4
69.07060	4.2
70.06601	1.8
70.96006	2.2
71.08640	69.4
72.05781	2.7
73.02922	2.8
73.06544	1.7
79.05464	1.1
81.07054	2.8
83.08624	4.5
85.10191	60.3
87.04485	3.1
87.08121	1.1
88.07623	2.7
89.06030	5.3
89.32377	1.0
90.01929	16.1
93.83311	0.9
95.08602	2.8
97.10173	2.9
99.08090	1.1
99.11739	14.0
100.08890	2.2
101.05999	1.6
101.09657	5.4
102.09181	2.0
103.07594	1.9
105.06991	1.3
109.10207	1.9
111.11715	1.4
113.13323	4.8
115.07562	1.9
117.09153	14.3
121.10162	1.5
133.08600	3.1
135.10158	1.1
141.16377	1.2
147.11443	1.0
152.15652	1.6
155.17967	9.1
173.88408	0.9
177.11212	1.1
178.07120	2.8
183.17490	2.6
197.33162	0.9
207.15965	1.3
212.21410	1.4
213.22144	12.6
236.11304	1.9
237.16870	1.8
248.98836	1.0
254.24783	1.9
256.26428	3.1
257.26700	4.0
271.23709	1.8
271.26367	16.6
311.29529	3.2
312.29929	3.5
387.09891	1.1
512.64758	1.1
514.92456	1.0
541.40131	3.3
541.47473	1.2
541.53955	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06362	0.9
51.02379	1.2
53.03946	12.6
55.01872	8.9
55.05514	20.3
57.03444	8.1
57.07079	8.2
59.04984	1.3
61.02920	7.6
65.03936	1.6
67.05170	1.9
67.05511	29.6
67.05874	1.5
68.99802	7.2
69.01321	0.9
69.03434	61.8
69.07071	32.9
69.07384	0.5
69.07454	1.1
69.97349	3.5
71.01355	1.6
71.04996	10.3
71.08634	3.8
71.95397	0.9
73.02929	8.9
79.05494	16.7
81.03422	56.8
81.07061	75.4
83.01350	1.7
83.04980	4.0
83.08628	17.7
85.02909	100.0
85.06538	10.4
86.50537	1.0
87.00836	36.1
87.04472	1.6
88.03477	1.0
91.03943	1.6
91.05478	11.3
93.07048	25.2
95.04984	7.9
95.08614	81.3
95.91100	1.1
97.02899	29.4
97.06543	3.3
97.10166	10.5
98.26046	0.9
99.04462	21.2
99.08092	4.2
100.51719	1.1
101.02359	2.1
101.06003	1.2
103.03952	2.2
105.01868	28.2
105.07040	17.3
105.07695	1.9
107.04959	3.4
107.08592	20.7
109.02885	48.4
109.06524	6.4
109.10162	46.5
111.04457	5.8
111.08083	4.9
111.11735	6.3
115.03942	6.3
115.21168	0.9
117.01861	4.1
117.07068	4.8
119.08589	17.9
121.06490	4.0
121.10150	14.2
123.04468	2.1
123.08100	3.8
123.11717	22.9
125.02393	0.9
125.05965	1.4
125.09637	2.2
125.13303	2.8
127.03925	87.1
128.06276	1.7
129.01846	5.8
129.05505	1.3
129.07031	3.1
129.12732	1.5
131.08589	9.2
133.06587	2.7
133.10139	12.9
135.08076	4.4
135.11711	11.1
137.05972	2.8
137.09618	2.7
137.13266	12.6
139.07561	2.3
141.06923	1.2
142.07776	2.0
143.08612	5.1
144.09460	1.0
145.04971	25.3
145.06244	1.8
145.06477	1.5
145.10112	8.9
147.02869	4.2
147.08034	3.3
147.11697	10.6
149.09613	4.0
149.13268	16.2
151.07526	1.3
151.14847	12.6
153.09103	1.4
154.07837	1.0
155.08566	3.1
157.10158	5.6
159.02904	19.6
159.08069	1.4
159.11697	8.8
161.09630	4.8
161.13231	5.5
163.11171	1.8
163.14847	9.4
163.28937	1.0
165.07100	1.1
165.09126	2.4
165.16411	5.5
167.14423	1.2
169.10153	3.6
171.02896	2.2
171.08134	2.1
171.11705	4.1
173.09647	2.4
173.13295	4.8
175.11185	2.3
175.14850	3.1
177.09081	1.9
177.16405	3.0
179.17955	1.8
181.16054	1.2
183.11690	2.4
185.09674	2.2
185.13264	3.1
187.06038	1.9
187.11279	1.4
187.14815	2.4
189.03981	5.4
189.09114	1.6
189.12721	1.9
189.16447	1.1
191.14302	1.2
191.17952	2.3
193.19473	1.6
195.10098	1.1
195.11729	1.5
197.13231	2.3
199.14868	2.3
200.10681	1.0
201.03984	1.6
201.12895	1.1
201.16435	1.5
203.10677	2.5
203.14227	1.6
205.15944	1.1
209.13367	1.2
213.04001	4.8
213.16318	1.4
215.14389	1.5
219.21036	1.9
220.78770	1.1
231.05011	21.1
235.20650	1.2
237.22200	1.2
239.14481	1.9
249.06052	1.3
265.82611	1.1
275.20285	1.0
275.27454	4.7
289.25244	1.1
291.26791	6.7
293.28391	16.2
303.26904	3.7
305.28345	5.3
309.28259	1.2
311.29666	5.5
315.27066	1.5
317.28284	5.1
319.26129	1.2
321.27924	4.8
329.28519	2.2
333.27911	2.2
335.29385	4.2
341.28555	2.0
347.29480	2.9
357.27893	1.9
359.29422	6.1
365.28430	2.9
371.29230	1.6
377.30554	2.8
383.29501	16.3
401.30554	20.7
419.31653	8.3
437.32602	4.4
479.33740	1.4
487.30536	6.9
505.31653	12.4
523.32849	12.3
541.33398	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	541.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	39.1
61.02898	0.4
63.70165	0.5
67.05507	0.8
69.03435	1.0
70.06582	2.0
71.56715	0.9
71.95262	1.0
72.08154	0.5
74.97610	0.7
82.06565	0.5
84.08145	3.9
84.96039	1.4
85.02928	0.7
86.09712	1.1
91.05476	0.7
93.28469	0.4
95.04937	0.6
97.02891	1.6
98.97565	0.5
99.04452	0.5
106.38490	0.4
107.04917	0.4
109.02885	0.5
109.99171	5.9
110.97573	5.2
119.00172	0.4
120.08055	0.4
121.02908	0.7
123.96324	0.4
125.51674	0.4
128.00212	7.6
128.98615	5.9
129.10233	0.8
130.06549	0.4
131.04921	0.5
136.07530	0.5
137.05971	0.7
138.05522	0.6
141.01904	0.5
146.01273	4.1
146.99666	3.7
151.00694	2.1
151.01840	0.5
152.00165	0.5
152.01404	0.7
164.02307	1.1
167.07089	0.6
169.01718	3.1
170.02710	1.1
175.04369	0.5
177.02232	0.7
177.05365	0.7
187.02794	1.7
191.03801	7.8
192.03328	8.7
193.01781	1.2
193.05312	0.7
203.03789	7.1
204.03339	2.3
207.03462	0.4
209.04849	3.6
210.04391	4.3
211.02780	5.4
218.04924	1.7
219.03253	1.0
220.02925	0.7
220.06442	1.1
221.04843	4.3
221.06709	0.5
222.04352	2.0
222.89301	0.4
223.12213	1.8
228.01022	0.7
228.03299	12.8
229.03815	6.0
236.06087	0.6
237.04358	2.5
243.17337	0.6
246.04385	100.0
255.05328	1.9
262.03891	0.7
264.05435	89.6
269.05994	3.5
282.06372	2.5
287.07022	4.4
290.00159	0.4
290.03348	6.9
295.06097	1.0
306.11993	0.4
307.06049	1.1
308.04413	35.5
326.05429	2.0
331.06049	2.4
335.10669	0.4
349.07123	0.8
366.26498	0.4
379.08127	0.9
381.11154	1.8
391.08066	0.6
406.04333	1.6
407.12906	0.7
409.09314	0.6
409.14337	0.4
417.11337	0.5
425.10233	3.4
426.08490	0.8
433.10962	0.6
445.09039	0.4
451.11533	0.9
453.13367	3.4
461.10294	0.5
465.28415	0.7
479.11017	2.2
494.23840	0.5
497.12457	2.4
505.09271	0.4
523.10358	13.0
524.14886	0.6
541.11212	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	541.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57097	0.3
55.05507	0.5
56.96563	6.1
67.05490	0.8
67.42966	0.3
70.28607	0.8
79.05473	0.5
81.03403	0.5
81.07028	0.7
81.40295	0.3
83.04945	0.4
84.96051	3.5
85.02914	0.4
91.05482	0.7
93.07001	0.7
95.08617	0.6
97.96823	0.3
98.20773	0.4
98.97588	29.7
105.07040	0.4
107.08560	0.4
110.97572	12.4
112.99133	2.2
116.97833	0.5
116.98631	9.1
120.29715	0.3
124.99116	1.6
126.97008	0.6
127.00716	0.4
127.03891	0.3
128.98615	9.8
131.00153	2.2
133.10080	0.5
134.99611	1.2
136.99088	0.4
140.00197	1.7
140.98586	1.8
143.00171	4.8
144.98070	0.8
146.99666	4.0
149.01210	0.6
152.00195	0.8
152.98610	0.6
155.00148	1.3
158.99673	5.2
161.01225	4.3
162.99167	0.5
165.00722	0.5
167.00133	0.7
169.01749	0.6
170.01230	0.5
170.99661	6.6
173.01233	1.3
177.00714	4.9
179.02242	0.7
182.01169	0.4
182.99619	1.2
184.02805	0.4
185.01219	1.6
187.02853	0.8
189.00739	5.2
194.99660	3.8
200.02315	0.6
201.00693	9.7
201.02586	0.6
203.02316	1.7
207.01831	0.5
209.01160	0.5
212.02295	0.8
213.00702	2.6
219.01773	56.3
221.01123	0.4
221.03275	0.4
227.02280	0.7
237.02829	67.4
239.03050	0.3
242.03407	5.1
243.01852	0.6
255.04002	2.9
260.04446	6.4
261.02805	15.4
273.02731	0.4
275.20032	0.4
279.03897	42.9
283.05948	0.4
287.04446	0.4
302.05511	6.1
305.05170	0.5
329.05435	0.6
333.05029	1.2
335.02921	4.9
335.06546	0.8
347.06570	1.8
389.07672	1.0
407.08817	1.3
425.09683	6.1
448.11261	1.4
467.10870	1.4
481.08676	100.0
482.08893	0.8
495.10498	0.8
499.10016	0.6
523.09650	0.6
540.33337	0.6
541.10315	1.8
541.34650	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69748	0.7
55.05511	4.8
57.03442	0.8
57.07077	100.0
58.06603	1.4
59.05006	18.9
67.05511	2.9
69.07071	4.7
70.06592	9.1
71.08634	76.7
73.02921	56.8
73.06561	0.8
81.07062	3.0
81.74770	0.7
83.08620	4.9
85.10186	65.5
85.23944	0.6
87.04480	2.7
87.08123	1.7
88.07635	15.5
89.06036	21.8
93.07034	1.1
95.08606	3.5
97.10138	3.1
99.11738	9.6
101.06053	1.0
101.09682	1.3
102.09182	10.9
102.09789	0.9
103.07581	4.5
106.08658	0.7
107.08620	1.2
109.10178	1.1
113.13281	3.2
116.55565	0.6
117.05516	1.9
117.09181	2.0
125.09658	1.7
130.08670	1.4
133.08604	11.4
134.84523	0.7
141.16345	3.8
147.10152	1.1
155.17979	8.3
161.08107	1.0
173.66246	0.6
175.09656	0.7
177.11195	7.6
185.18982	1.6
189.11200	1.0
195.12340	0.9
199.20671	2.6
205.10710	9.9
213.22124	8.6
221.13954	1.1
227.12886	1.1
239.14911	2.7
243.23177	4.4
245.13898	1.0
246.09679	0.7
249.13489	2.0
256.26367	35.7
257.24728	3.8
274.27414	3.8
283.17551	15.2
283.26312	7.6
284.29404	6.4
293.16101	1.5
301.27463	1.7
311.17029	5.1
311.29446	34.0
323.20969	1.0
325.18506	0.8
327.20288	1.2
335.25900	1.3
341.21689	0.7
495.38922	2.1
505.35461	0.9
540.41486	12.9
540.53522	94.1
561.25623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.8
57.03437	2.4
57.07078	100.0
59.05005	52.8
67.05513	1.0
69.07065	4.4
69.66605	0.9
69.88101	5.1
70.06590	5.3
71.08633	96.7
81.07058	2.3
83.08633	5.2
85.10184	87.2
87.04470	2.2
88.07628	8.6
89.06035	20.2
95.08616	2.3
97.10149	2.0
99.11744	11.0
101.09655	5.0
102.09174	7.4
103.07594	6.2
115.07555	1.3
117.09142	19.0
131.82027	0.9
133.08606	15.7
141.16396	10.3
151.09680	3.1
161.11682	1.6
172.15315	1.1
191.12741	6.7
199.20580	28.8
209.13818	5.7
240.23401	2.7
249.17003	3.0
256.26337	18.6
257.24768	36.5
267.18085	2.3
274.27377	1.4
283.26303	5.1
284.29590	3.8
307.21259	1.1
309.21985	1.0
311.29477	19.5
315.28964	2.9
325.22464	1.9
327.19949	1.4
329.20126	1.1
343.89139	1.0
365.25388	1.0
371.55743	1.0
523.42004	4.3
540.45013	3.8
540.53497	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	14.2
55.01888	9.7
55.05516	20.2
57.03448	9.8
57.07090	10.4
61.02929	7.1
65.03925	2.5
67.05512	28.0
68.99792	6.2
69.03078	3.6
69.03436	53.8
69.03813	3.0
69.07077	36.3
70.07967	6.8
71.01322	1.8
71.04993	10.9
71.08630	6.6
73.02913	7.3
79.05502	21.1
81.03425	64.4
81.06584	3.7
81.07063	64.8
83.04990	8.2
83.08636	15.3
85.02913	85.6
85.06549	4.2
85.10207	2.2
87.00840	33.5
87.04446	1.9
91.05489	18.3
93.06470	3.0
93.07055	46.0
95.04979	11.5
95.08616	62.8
97.02899	31.1
97.09639	2.0
97.10173	9.2
98.97632	2.2
99.04464	24.1
99.08096	2.6
103.03972	3.1
105.01886	19.6
105.07041	30.0
107.04928	3.7
107.08604	39.8
109.02889	61.5
109.06535	2.8
109.10162	32.6
110.32454	1.6
111.04443	10.6
111.11724	7.7
115.03967	4.2
115.05448	1.8
117.01857	3.2
117.07026	3.2
119.08585	21.2
121.06519	4.3
121.10156	29.3
123.04449	3.6
123.08040	3.1
123.11716	17.3
125.09618	1.8
125.13265	1.9
127.03928	100.0
129.01875	5.5
129.05519	2.0
129.07002	2.7
131.08557	8.6
133.06502	3.1
133.10135	15.2
135.11716	22.7
137.06006	6.4
137.09622	4.4
137.13268	4.2
143.08578	5.8
145.04973	17.6
145.06105	2.1
145.06520	2.2
145.10146	10.2
147.02916	3.5
147.04393	2.5
147.08075	2.5
147.11702	18.3
149.13258	30.0
151.03926	2.4
151.14862	4.2
155.08493	2.0
157.10150	4.2
159.02911	13.7
159.08047	2.5
159.11707	10.9
160.65730	1.9
161.09616	3.6
161.13277	11.1
163.07544	1.8
163.11070	2.9
163.14917	10.5
165.07185	2.3
165.12769	3.0
165.16370	2.3
169.10172	3.8
171.11690	3.7
173.13283	6.3
175.14828	5.0
177.03976	2.0
177.16440	3.9
179.17880	1.7
179.29732	1.8
185.09656	1.9
185.13284	3.2
187.11188	2.6
189.03943	4.1
189.12811	5.2
189.16501	5.6
191.17976	2.1
197.13371	2.2
198.14880	2.4
199.14732	1.9
203.10745	2.2
213.03967	11.2
217.19618	3.4
231.05034	21.3
231.07150	2.7
247.24335	2.4
255.14038	1.6
261.25778	1.7
264.14923	2.0
273.25769	20.8
273.86633	1.7
285.17197	2.3
289.15448	3.4
289.25299	6.9
291.26831	32.7
303.26810	7.0
309.27908	10.8
315.26840	4.2
325.15146	2.8
333.27872	5.0
345.27930	2.5
375.65070	2.1
381.28131	4.7
399.29013	9.7
417.30029	7.4
435.30832	3.8
437.26230	1.9
485.28827	4.6
503.30469	10.4
521.31287	14.0
521.38312	2.3
539.31775	9.3
539.40161	2.9
545.08282	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	540.2597
Annotation	19,20-Epoxycytochalasin N
Peak:m/z	Relative Intensity
55.01859	0.9
58.06605	6.4
65.03934	0.7
66.62461	0.5
70.06593	5.2
72.08156	0.7
74.06065	0.6
76.69122	0.5
79.40909	0.6
83.04974	0.8
86.09728	0.5
91.05482	4.3
95.04952	0.5
98.20766	0.9
106.02945	0.6
107.04950	0.9
111.04450	1.6
116.05024	0.6
119.04962	4.7
121.06511	1.2
124.03932	1.3
124.07593	0.7
127.03894	0.6
131.04965	0.6
133.02870	1.0
136.07663	0.6
137.05965	6.8
147.04419	3.8
149.05991	1.9
151.07556	4.5
160.07495	0.7
161.05974	1.0
175.06256	0.9
175.07599	0.7
176.07127	3.9
177.05533	0.6
178.08662	1.6
184.66454	0.5
190.08647	2.0
192.10181	1.7
195.08032	1.2
201.09229	0.7
204.10144	1.3
205.10986	0.6
206.11774	1.5
207.08116	1.0
208.08823	1.3
209.06140	1.1
209.08075	2.7
209.09779	0.8
211.07533	1.9
212.08321	0.8
213.09236	0.7
213.11292	0.6
221.09712	0.8
222.10335	0.9
223.07545	1.4
224.08301	2.2
225.09152	2.6
226.09892	1.7
227.10573	0.7
235.07607	1.6
237.09106	2.0
238.09824	2.1
239.10703	4.1
240.07858	0.6
241.08574	1.4
241.12325	1.2
242.09259	0.8
242.11665	0.8
243.12488	0.7
244.13408	1.3
250.09921	2.4
251.10797	1.4
252.07915	0.6
252.11308	1.7
253.08562	2.0
253.12248	0.9
254.09335	1.5
255.06540	1.9
255.10118	2.9
256.10901	1.4
257.11505	0.6
266.09341	1.0
267.10214	4.6
267.12723	0.9
268.10730	1.0
269.08057	1.9
269.11792	2.9
270.12418	1.5
271.09653	1.6
271.13376	2.0
280.09930	1.9
281.11765	2.7
282.12369	3.2
282.15005	1.2
283.09656	1.6
283.13156	1.3
284.10419	1.9
285.11224	2.0
286.12161	1.0
295.12006	1.4
296.13031	1.1
298.11887	1.3
299.12808	0.8
310.14343	1.9
312.12366	6.5
312.15829	1.0
314.17511	4.3
326.13925	2.3
327.14551	1.6
328.15375	1.4
329.16345	0.9
340.15497	1.5
342.16992	16.9
343.17761	3.1
344.14880	1.0
344.18588	9.0
356.18881	0.7
388.13980	0.8
492.23749	3.4
508.20151	0.8
522.24994	10.6
540.26257	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	14.2
55.01888	9.7
55.05516	20.2
57.03448	9.8
57.07090	10.4
61.02929	7.1
65.03925	2.5
67.05512	28.0
68.99792	6.2
69.03078	3.6
69.03436	53.8
69.03813	3.0
69.07077	36.3
70.07967	6.8
71.01322	1.8
71.04993	10.9
71.08630	6.6
73.02913	7.3
79.05502	21.1
81.03425	64.4
81.06584	3.7
81.07063	64.8
83.04990	8.2
83.08636	15.3
85.02913	85.6
85.06549	4.2
85.10207	2.2
87.00840	33.5
87.04446	1.9
91.05489	18.3
93.06470	3.0
93.07055	46.0
95.04979	11.5
95.08616	62.8
97.02899	31.1
97.09639	2.0
97.10173	9.2
98.97632	2.2
99.04464	24.1
99.08096	2.6
103.03972	3.1
105.01886	19.6
105.07041	30.0
107.04928	3.7
107.08604	39.8
109.02889	61.5
109.06535	2.8
109.10162	32.6
110.32454	1.6
111.04443	10.6
111.11724	7.7
115.03967	4.2
115.05448	1.8
117.01857	3.2
117.07026	3.2
119.08585	21.2
121.06519	4.3
121.10156	29.3
123.04449	3.6
123.08040	3.1
123.11716	17.3
125.09618	1.8
125.13265	1.9
127.03928	100.0
129.01875	5.5
129.05519	2.0
129.07002	2.7
131.08557	8.6
133.06502	3.1
133.10135	15.2
135.11716	22.7
137.06006	6.4
137.09622	4.4
137.13268	4.2
143.08578	5.8
145.04973	17.6
145.06105	2.1
145.06520	2.2
145.10146	10.2
147.02916	3.5
147.04393	2.5
147.08075	2.5
147.11702	18.3
149.13258	30.0
151.03926	2.4
151.14862	4.2
155.08493	2.0
157.10150	4.2
159.02911	13.7
159.08047	2.5
159.11707	10.9
160.65730	1.9
161.09616	3.6
161.13277	11.1
163.07544	1.8
163.11070	2.9
163.14917	10.5
165.07185	2.3
165.12769	3.0
165.16370	2.3
169.10172	3.8
171.11690	3.7
173.13283	6.3
175.14828	5.0
177.03976	2.0
177.16440	3.9
179.17880	1.7
179.29732	1.8
185.09656	1.9
185.13284	3.2
187.11188	2.6
189.03943	4.1
189.12811	5.2
189.16501	5.6
191.17976	2.1
197.13371	2.2
198.14880	2.4
199.14732	1.9
203.10745	2.2
213.03967	11.2
217.19618	3.4
231.05034	21.3
231.07150	2.7
247.24335	2.4
255.14038	1.6
261.25778	1.7
264.14923	2.0
273.25769	20.8
273.86633	1.7
285.17197	2.3
289.15448	3.4
289.25299	6.9
291.26831	32.7
303.26810	7.0
309.27908	10.8
315.26840	4.2
325.15146	2.8
333.27872	5.0
345.27930	2.5
375.65070	2.1
381.28131	4.7
399.29013	9.7
417.30029	7.4
435.30832	3.8
437.26230	1.9
485.28827	4.6
503.30469	10.4
521.31287	14.0
521.38312	2.3
539.31775	9.3
539.40161	2.9
545.08282	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	539.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91323	1.1
53.03946	13.4
55.01882	8.3
55.05269	2.0
55.05516	24.0
56.96554	2.1
57.03432	7.5
57.07086	9.5
59.04987	3.1
61.02932	7.4
65.03934	3.2
67.05509	31.6
68.99801	6.2
69.03433	55.5
69.07072	38.8
69.24548	2.2
69.24956	9.0
71.01372	1.8
71.04990	10.7
71.08624	3.4
73.02912	6.5
73.03262	1.1
79.05057	1.7
79.05501	20.2
81.03425	72.4
81.07063	74.7
83.01333	2.0
83.04989	5.6
83.08151	1.5
83.08628	29.1
85.02911	70.4
85.06533	4.1
85.10169	2.7
86.09687	1.4
87.00837	29.8
87.04437	1.2
91.03958	2.5
91.05487	17.8
93.06470	2.4
93.07051	42.5
95.04973	9.3
95.08614	64.7
97.02901	24.7
97.06528	3.1
97.10172	13.0
98.97568	2.5
99.03848	1.4
99.04464	23.2
99.08093	2.7
103.03956	1.3
103.05504	1.3
105.01888	18.5
105.07033	28.1
107.04932	2.4
107.08598	32.1
109.02891	68.3
109.06508	4.4
109.09465	2.1
109.10164	36.3
111.04452	9.5
111.08089	2.5
111.11737	9.4
113.02337	1.4
113.09663	1.1
115.03941	4.0
117.01830	2.5
117.07000	3.8
119.08595	23.1
121.06487	3.1
121.10152	25.5
123.04442	3.6
123.08064	3.3
123.11721	16.9
125.05991	2.4
125.09680	1.5
125.13297	2.4
127.03928	100.0
129.01846	4.4
129.05498	1.9
129.07002	3.0
129.12779	1.4
131.08577	9.0
133.06508	2.3
133.10139	16.2
135.08076	3.7
135.11694	21.2
137.05957	5.0
137.09612	4.7
137.13293	5.2
139.03952	1.4
139.11169	1.3
141.06967	1.1
142.07796	1.5
143.03426	1.2
143.08559	4.3
145.04968	14.8
145.06461	2.4
145.10143	11.1
147.02904	3.7
147.08058	2.4
147.11703	15.5
149.09592	1.9
149.13264	24.2
151.03949	1.3
151.07542	2.7
151.11223	2.4
151.14822	3.2
154.15300	1.0
155.03421	1.9
155.08525	1.6
157.10168	4.7
157.15746	1.4
159.02882	10.3
159.08058	1.8
159.11710	10.4
161.09590	2.7
161.13274	9.3
163.00682	1.3
163.07527	1.4
163.11192	1.8
163.14815	10.2
165.12718	1.7
165.16425	1.7
169.10121	2.0
171.02925	1.8
171.11665	5.5
173.04401	1.9
173.09586	2.1
173.13260	4.4
174.15398	1.3
175.11243	2.2
175.14888	6.9
177.03944	1.7
177.09113	2.2
177.16432	5.3
179.18018	2.3
181.10228	1.2
185.09605	1.1
185.13260	3.0
187.06088	1.9
187.11172	2.3
187.14899	2.1
189.03941	4.0
189.09013	1.2
189.12738	3.6
189.16412	5.6
191.17944	3.3
197.04401	1.5
199.11086	1.2
199.14854	1.8
201.04001	1.7
201.09038	1.2
201.12744	1.9
203.10625	1.5
203.17944	3.1
204.91928	1.2
211.14732	1.8
213.03934	9.4
213.12790	2.2
213.16426	1.4
215.10727	1.6
217.19522	2.4
219.01527	1.1
227.14311	1.8
231.05043	16.9
233.09070	1.1
244.48341	1.2
247.24274	1.8
249.06041	1.1
255.78999	1.2
259.04581	2.2
268.70465	1.1
273.25974	18.2
277.25418	1.2
281.22095	1.1
289.25284	5.1
291.26871	23.8
303.26840	4.2
309.27924	8.5
315.26770	3.4
333.27951	2.9
353.28333	1.6
357.27939	1.6
371.29419	3.5
373.27258	1.7
375.28857	2.6
381.27844	4.5
389.30429	1.4
399.29111	6.8
399.33411	1.2
417.30179	8.3
435.30899	4.8
485.28937	3.8
503.30246	7.5
521.31195	12.1
539.32703	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	539.1705
Annotation	Agrostonin
Peak:m/z	Relative Intensity
50.21808	0.5
61.08335	0.4
67.05489	0.9
70.67875	1.6
79.05462	0.9
89.06014	0.5
91.05467	0.9
95.04936	1.8
109.06546	0.9
113.26013	0.5
121.06502	9.4
135.04414	3.1
137.05978	4.8
137.74915	0.4
145.06453	0.5
151.03906	16.7
151.05128	0.9
155.04913	0.7
161.06012	0.9
163.03874	1.7
168.05824	0.5
175.03955	0.7
179.19734	0.4
181.06490	0.6
182.07245	0.5
183.04430	3.0
183.08055	0.9
196.05228	0.7
198.06769	7.8
199.04115	0.5
199.07564	0.8
201.05438	1.9
209.06029	0.5
211.03914	1.2
211.07466	1.4
213.09059	0.8
213.18242	0.5
223.04013	0.9
225.05367	0.8
226.06248	21.1
227.07065	1.3
229.08801	0.5
238.06175	0.9
239.07053	1.1
241.08598	35.5
243.10091	0.5
251.06940	0.6
253.05060	0.6
254.05687	1.6
255.06520	8.3
265.05063	0.9
265.08417	0.7
267.06393	1.0
267.67984	0.5
268.07144	0.5
269.08093	64.5
270.08884	6.7
273.09012	0.8
280.07428	0.8
281.07980	1.1
285.09198	0.8
288.07764	0.8
289.08511	0.7
295.06027	0.9
299.06943	0.7
301.08569	1.6
302.09402	1.1
303.06531	0.6
303.10355	0.5
312.07837	0.6
313.08606	1.4
314.09528	0.7
315.06604	1.1
315.10095	0.6
316.07352	1.0
317.08218	1.1
317.11798	1.2
319.13254	0.5
329.07938	2.4
330.08899	2.1
331.09695	2.0
332.10583	0.7
340.07388	0.6
341.08026	1.6
342.08984	1.0
343.06006	2.8
343.09766	1.1
344.10617	1.8
345.07785	1.0
345.11292	2.0
347.09152	0.6
347.12811	2.5
355.09702	0.8
356.10513	0.7
357.07617	1.6
357.11279	1.0
358.08356	9.3
358.12415	0.8
359.09039	0.7
360.09723	1.2
361.10681	1.8
369.07526	1.2
371.05438	1.5
371.09320	1.4
372.10007	2.5
373.07190	0.7
373.10779	13.5
375.12405	4.7
376.13028	1.6
384.09967	3.2
385.06668	0.6
386.07806	5.5
387.12305	5.5
388.09006	0.7
389.13690	1.4
391.11768	1.0
393.11264	0.9
399.12851	0.6
400.09250	1.1
401.10223	35.5
403.11896	3.9
415.11801	8.4
416.12576	49.7
417.12384	0.5
421.10806	1.0
431.11310	11.0
433.10574	0.7
438.10678	0.7
449.09848	0.7
451.16095	0.5
453.12973	0.6
463.11505	0.6
464.12598	1.1
465.13373	1.7
479.15063	4.5
481.12656	1.1
490.14267	0.9
493.12308	2.1
495.14334	2.0
496.15140	1.1
507.14206	0.8
508.15125	3.6
509.12268	1.5
511.17514	11.5
516.61285	0.5
521.15967	0.8
524.14374	4.1
539.16980	100.0
540.17133	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
57.03444	5.1
57.07081	100.0
57.74324	0.7
58.74776	0.8
59.05006	67.1
63.39257	0.8
65.00256	0.7
69.07069	1.9
71.08637	73.2
71.12500	1.9
74.24655	0.7
81.07070	1.1
83.08619	2.7
85.10190	66.1
89.08191	0.8
89.14082	0.7
95.08594	0.9
97.10168	2.8
99.08067	1.5
99.11738	14.1
101.09676	4.6
113.13272	5.6
115.07535	1.0
117.09134	30.5
155.17940	11.0
158.11766	0.9
175.13322	5.1
175.14673	0.9
213.22156	23.0
233.17509	3.3
239.12041	0.8
251.18640	2.2
254.24831	1.8
271.26340	32.3
329.30505	2.4
521.44281	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	539.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69075	0.4
55.05497	0.8
57.07072	1.7
59.04982	0.8
60.78267	0.5
66.64536	0.5
67.05495	1.4
71.08628	2.0
71.40583	0.9
79.05489	0.8
81.07056	1.7
85.10163	1.7
85.31938	0.5
89.06039	1.5
101.99420	0.6
105.07026	0.7
107.08579	0.5
109.10174	0.6
121.63431	0.5
135.04424	1.1
137.85524	0.5
143.08591	0.8
155.04993	0.8
155.08516	0.9
157.10147	0.8
167.08527	0.6
169.10124	1.5
172.05205	0.7
177.11208	0.7
181.10101	1.3
181.96173	0.5
183.04422	4.7
183.11664	1.0
185.13205	0.8
188.10143	0.5
195.11763	1.1
197.13303	0.5
198.06822	6.4
209.13260	0.8
211.03973	2.7
223.03896	0.7
226.06264	37.7
238.06232	1.3
241.08606	61.5
242.08846	0.7
254.05780	1.6
255.06558	8.4
266.05728	0.7
269.08105	100.0
270.08829	5.9
281.08118	1.3
315.06317	0.7
358.08243	0.8
368.10556	0.8
373.10709	1.0
384.09845	0.7
399.12601	0.8
401.10278	7.8
415.11673	2.4
416.12582	6.3
429.31369	0.7
447.32596	2.2
521.36139	2.1
539.16986	10.4
539.37109	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	539.1704
Annotation	Agrostonin
Peak:m/z	Relative Intensity
54.48349	0.3
57.07047	0.3
67.05499	0.4
69.07040	0.3
70.60149	0.2
71.08603	0.3
75.34825	0.2
77.97928	0.3
79.05457	0.3
81.07034	0.6
83.08617	0.3
86.53661	0.3
86.89758	0.2
95.08592	0.3
97.10143	0.3
98.21616	0.5
116.20947	0.3
121.10052	0.2
135.04433	1.6
151.03883	0.7
155.04900	0.5
163.17033	0.3
172.05220	1.0
182.07301	0.5
183.02786	0.3
183.04431	5.2
197.05907	0.3
198.04976	0.3
198.06781	6.4
210.06825	0.3
211.03868	2.7
223.03963	0.6
226.06247	38.2
238.06233	1.5
241.08600	63.7
242.08894	0.4
243.94447	0.2
254.05659	1.2
255.06540	8.4
266.05710	0.8
269.08093	100.0
270.08865	7.6
273.84424	0.3
281.08136	1.7
302.09418	0.3
307.10229	0.3
329.07938	0.4
341.08264	0.6
343.09500	0.3
344.10364	0.3
353.08032	0.4
355.09680	0.6
356.10416	0.3
358.08304	0.5
368.10559	0.6
369.07861	0.6
372.09863	0.5
373.10767	1.1
384.10004	0.9
385.10794	0.3
386.07495	0.7
386.11670	0.4
387.12314	1.1
399.12366	0.8
401.10196	6.9
415.11584	2.3
416.12637	7.5
431.11060	0.4
461.12131	0.3
475.12906	0.3
492.13309	0.3
507.14240	0.4
539.16907	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	538.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.3
56.26084	1.1
57.03414	2.8
57.07077	100.0
59.05002	35.5
69.07062	3.1
71.06295	1.9
71.06623	2.5
71.08633	75.5
73.02921	35.4
81.07053	1.4
83.08598	1.9
85.10183	62.4
87.04472	2.0
97.10141	3.6
99.11730	13.9
101.09660	4.8
113.13284	4.1
117.09136	13.1
128.67464	1.3
134.61055	1.3
155.17982	9.5
175.09608	3.8
192.90221	1.3
213.22128	18.5
239.86723	1.3
254.24767	2.7
257.24545	1.5
271.26334	20.1
343.09753	1.4
493.40570	1.6
538.43225	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	538.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45908	0.4
52.53004	0.6
53.03933	2.1
53.04166	0.5
55.01858	1.4
57.03424	1.7
61.02907	1.0
68.99774	1.1
69.03091	0.6
69.03432	9.5
70.06587	1.3
71.01340	0.4
71.04983	1.1
71.55248	0.8
73.02895	2.1
77.42257	0.5
81.02985	0.6
81.03416	6.8
85.02911	10.4
87.00835	4.5
91.03997	0.6
91.05476	0.8
97.02896	4.6
99.04450	2.5
105.01861	1.4
107.05017	0.5
109.02886	5.9
111.04384	0.5
117.01852	0.8
119.66661	0.5
123.04408	2.2
127.03922	8.1
128.06198	0.6
129.01846	1.0
129.07010	4.7
130.06517	3.6
137.05940	1.1
141.06976	2.1
143.08502	0.6
145.04944	2.0
151.03934	0.6
152.06186	0.8
153.07031	0.6
154.06531	2.5
155.07283	2.3
155.08568	2.3
155.74304	0.6
156.08113	4.0
158.09662	1.8
159.02863	2.1
161.05971	0.6
164.07072	1.4
165.07018	1.5
167.07268	3.5
167.08604	3.9
167.42711	0.5
168.08095	6.6
169.08922	3.2
170.06122	0.5
170.09636	6.1
171.10477	0.7
172.11246	0.6
179.07198	0.8
179.08548	5.5
180.08084	3.0
181.08836	5.2
182.09656	12.1
183.06740	1.3
183.10361	1.1
184.07632	6.2
184.09149	0.7
184.09486	0.7
184.11194	9.4
185.08354	1.9
185.11969	0.8
186.09122	1.3
186.12785	1.0
187.05968	0.8
188.10764	0.5
193.08832	0.6
194.09669	6.1
195.10457	2.2
196.11230	26.4
198.09155	5.2
199.09927	5.0
200.10741	2.2
207.06668	1.0
208.11201	0.7
210.09157	2.0
211.10011	1.0
212.07091	1.5
212.10710	11.0
214.12242	1.5
216.10176	3.4
222.09181	5.1
225.07800	0.8
227.09428	0.8
228.10205	1.8
230.11740	3.6
231.04959	1.1
240.10202	18.3
240.12660	0.9
242.11772	0.9
258.11267	100.0
271.06058	0.6
272.06317	0.9
290.07455	1.7
290.13831	0.8
300.12396	1.2
318.13037	0.6
341.10443	0.5
358.12930	0.7
376.13867	1.5
420.16629	0.9
444.16391	0.6
462.17459	1.7
506.16675	2.6
508.93896	0.5
538.19165	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	538.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.3
55.05515	14.4
57.03452	9.9
57.07078	16.5
59.04989	8.2
65.03932	2.0
67.05507	61.3
69.07079	10.4
71.04990	7.0
71.08641	11.1
71.57356	2.8
79.05495	20.8
81.07062	100.0
83.04971	1.8
83.08612	8.5
85.06551	7.7
85.10205	10.2
87.04468	2.0
91.05461	11.8
93.07054	22.6
95.08615	22.6
97.10197	4.3
105.07030	8.7
107.08598	11.2
109.10167	11.0
117.09197	1.9
119.08595	6.5
121.10164	12.3
123.11697	11.2
123.72926	2.0
128.04297	1.8
131.08563	4.3
133.10152	10.0
135.11723	4.2
138.31194	1.9
145.10152	2.4
147.11696	3.3
150.39417	2.5
151.11191	5.3
159.11714	2.5
169.12259	1.9
187.13326	9.6
243.15930	66.3
257.24899	2.4
261.22098	9.4
335.25809	74.0
335.29907	3.6
336.00085	1.7
351.99557	2.1
376.13580	2.3
451.16483	2.0
503.37317	43.5
538.41797	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	538.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
58.94373	0.8
61.02900	0.8
69.03401	1.2
70.94578	2.2
73.12682	0.7
85.02904	3.9
85.48850	0.7
97.02856	1.8
107.04949	2.6
114.60674	0.9
115.05414	4.1
123.04414	3.2
131.04892	1.3
133.06543	0.8
137.05980	2.2
143.04930	12.9
147.04381	1.5
149.05975	1.8
161.05971	15.3
162.05452	1.1
164.07079	24.0
167.07043	18.2
170.00999	1.0
177.06966	0.9
178.07745	1.2
179.08571	2.1
181.04913	1.2
187.03862	1.2
189.06979	3.2
193.06438	0.8
205.06519	2.1
206.07278	2.6
207.08099	8.6
207.27414	0.9
210.06845	1.4
217.06519	2.8
220.05287	1.5
221.05960	3.6
223.07571	1.8
224.08363	1.2
233.05917	2.5
234.06767	5.6
234.09024	1.5
235.07542	20.7
237.05490	0.9
238.06236	3.3
239.07042	1.1
245.05975	1.9
248.04832	1.0
249.05438	2.9
250.06213	1.9
250.08543	1.1
251.07018	3.7
251.09317	1.6
252.07785	4.7
253.08621	4.4
255.06531	1.5
255.10420	1.0
261.05246	1.2
262.06244	26.8
262.08621	1.9
263.07031	23.9
264.07724	1.0
265.04871	5.6
265.07440	2.5
266.05688	5.5
266.08170	1.3
267.06406	2.9
267.10001	1.5
269.08011	1.3
272.71661	0.8
277.04990	2.3
277.08350	1.5
278.08124	1.2
279.06482	4.4
279.09064	2.5
280.07095	5.9
280.09958	4.1
281.08109	13.8
282.08429	2.4
283.06052	2.2
283.09796	1.7
290.05597	5.2
291.06497	3.3
293.04214	1.5
293.07330	1.2
294.05029	2.2
294.07657	3.7
295.06354	2.0
295.09604	5.5
297.07608	2.0
298.08267	4.0
307.08624	1.9
308.06442	10.8
308.09296	2.5
309.07376	10.0
309.10480	1.2
310.07272	3.3
311.05380	1.9
313.10718	13.3
315.12305	10.1
323.09131	31.3
323.12933	1.7
324.08615	1.8
325.09354	3.3
326.07797	8.4
329.10144	1.8
330.13303	2.0
332.14923	12.3
340.11829	18.3
341.10172	48.7
358.12845	100.0
376.13910	68.3
400.14188	1.1
427.62775	1.0
436.13745	1.4
484.16006	2.2
502.16888	2.5
520.18213	1.9
538.19330	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	538.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.7
51.02370	1.4
53.03952	1.1
55.01863	1.5
56.70448	0.6
57.03447	1.0
60.55214	0.6
65.03928	0.7
67.05495	0.9
68.99779	0.7
69.03418	1.5
70.06587	1.1
70.94685	1.4
71.04984	0.7
72.08155	0.8
78.03456	18.9
79.05474	0.9
80.05007	3.2
81.03402	2.3
81.07043	1.9
84.04472	0.7
85.02892	2.4
85.06532	0.7
86.09702	2.7
91.05473	4.3
93.07041	1.3
95.04955	1.0
95.08590	1.3
96.04496	4.0
97.02889	1.0
98.97583	0.9
103.05428	0.7
105.03378	0.8
105.07011	0.7
106.02921	33.1
107.08586	0.8
108.04483	0.7
109.02881	1.5
109.10212	0.6
117.06980	0.9
119.04941	5.5
121.02866	8.3
121.10172	0.9
123.04453	0.7
124.03956	56.8
127.03923	1.2
131.04961	1.1
135.11728	0.7
137.05978	1.1
141.01852	1.0
145.02849	4.2
145.10152	0.7
149.02341	3.0
153.01772	0.8
163.03896	5.0
163.07578	0.6
164.07013	0.7
165.01836	12.8
166.04977	1.5
167.03386	4.5
177.01826	3.1
177.05446	1.1
181.04922	1.0
183.02933	2.5
184.11206	0.6
187.03983	3.7
190.02550	0.7
191.03461	1.0
195.02905	2.6
205.04970	2.3
215.03374	2.2
226.07060	1.0
229.04965	2.3
233.04434	2.1
233.09384	0.7
239.06960	1.3
242.05717	0.9
243.02840	1.8
255.06442	1.8
267.06543	12.2
270.05301	4.9
271.06046	3.5
273.04074	0.7
277.08606	1.5
279.06473	3.6
281.08109	11.0
283.06015	54.0
284.06793	14.2
285.07468	0.9
294.05200	0.8
295.03467	0.5
295.06030	24.1
295.09613	6.0
297.03906	1.6
297.07574	4.5
305.08099	7.3
307.05997	2.7
308.06876	6.3
309.04068	1.7
309.07544	29.0
311.05386	2.3
313.07056	100.0
314.07309	0.9
319.05939	2.3
323.09137	24.4
325.07141	1.0
333.07547	11.5
337.07050	44.4
344.12723	2.2
351.08533	4.0
361.07098	15.4
379.08139	79.4
380.08618	1.2
386.16064	0.7
392.26425	0.7
397.09027	1.0
484.10434	6.7
502.11346	32.5
520.12396	28.8
520.20288	1.0
538.13409	5.6
538.20898	1.3
538.29248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.2
56.05040	0.5
57.03450	0.1
57.71173	0.1
58.06631	0.5
58.36907	0.1
59.07400	0.2
60.08166	5.8
65.34776	0.1
67.05495	0.7
70.94666	0.2
70.94987	0.1
71.07379	2.7
77.58749	0.1
79.05501	0.2
81.07066	0.5
86.09708	27.7
89.65836	0.1
91.05460	0.2
93.07040	0.4
95.08615	0.4
96.42842	0.1
98.98462	2.7
104.10752	3.0
105.07024	0.1
107.08614	0.2
121.10153	0.1
125.00008	18.6
125.58713	0.1
143.01085	0.1
166.69420	0.1
184.07346	100.0
185.07867	0.1
207.96930	0.1
226.38846	0.1
258.11096	0.2
500.31320	0.9
518.32458	6.8
552.80444	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	536.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68143	0.2
55.05505	0.3
56.05045	0.6
56.96572	0.3
57.03433	0.3
58.06623	0.6
60.08168	7.4
60.59637	0.2
61.02927	0.3
64.18486	0.2
67.05505	1.2
67.23888	0.2
69.03462	0.2
69.07078	0.5
70.06575	0.2
71.07375	3.2
71.41620	0.4
72.88654	0.2
73.02940	0.2
79.05492	0.7
81.03425	0.2
81.07049	1.3
83.08633	0.2
85.02892	0.5
86.09711	32.8
87.10035	0.3
91.03955	0.4
91.05496	0.6
93.07049	0.9
95.08617	0.7
97.02876	0.4
98.98469	2.5
104.10753	13.3
105.07049	0.4
107.08607	0.4
109.10138	0.3
121.10145	0.3
125.00013	21.2
126.00367	0.2
132.74509	0.2
133.10120	0.2
135.11636	0.3
137.06003	0.2
173.02994	0.2
175.62701	0.2
184.07352	100.0
185.07712	0.7
186.07811	0.8
195.17821	0.2
258.10977	0.3
277.21445	0.2
296.09900	0.2
299.06259	0.3
309.31894	0.3
349.16721	0.2
351.25342	0.6
366.67001	0.2
379.12607	0.2
381.15494	0.2
500.31345	1.4
518.32489	12.5
536.33014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2886
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05507	1.0
57.03443	0.9
57.07058	0.4
63.26185	0.3
67.05505	2.7
69.07063	1.4
70.66970	0.6
70.67317	0.7
79.05497	1.8
81.07068	5.3
83.08604	0.5
83.34972	0.3
85.02897	0.4
91.05524	1.9
93.07046	1.4
95.08613	1.2
97.02850	0.4
97.06548	0.9
105.07022	2.4
107.08593	1.4
117.07064	0.5
119.08599	2.6
121.10136	1.9
123.11712	1.9
131.08611	0.7
133.10132	0.5
147.11684	4.6
165.12773	1.9
173.06635	0.6
177.72716	0.4
203.02457	0.4
215.08881	0.4
220.58250	0.4
225.13235	0.6
251.12740	5.9
259.20447	0.7
259.54083	0.4
267.15970	1.6
269.12317	3.4
271.18631	0.4
285.17053	1.1
287.13519	1.2
300.51566	0.5
307.15143	5.9
325.14935	2.2
348.16144	0.5
433.04248	0.4
479.25024	0.7
491.29800	1.8
535.28784	100.0
536.29150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
52.24572	0.3
53.03938	0.7
55.01874	0.6
55.05498	0.4
58.06632	0.3
61.02915	0.6
63.02377	0.3
65.03938	0.4
66.63281	0.3
67.05508	0.6
68.99811	0.4
69.03422	1.7
70.06580	0.4
71.04993	0.6
71.56362	0.3
71.56789	0.7
73.02920	0.6
79.05473	0.5
81.03426	2.2
81.07065	0.5
84.08133	0.4
85.02912	3.2
87.00816	1.2
89.06042	0.5
90.01936	0.5
91.05461	0.6
95.04957	0.6
95.08600	0.5
97.02896	1.3
98.97579	0.4
99.04465	0.4
105.01859	0.7
105.06999	0.6
107.08607	0.4
109.02886	1.6
109.06513	0.4
109.10164	0.6
117.03358	0.4
119.04917	0.5
121.06501	0.6
121.71027	0.3
122.95155	0.3
127.03911	1.4
129.18100	0.3
135.04427	11.4
137.06024	2.4
139.03926	0.5
145.02834	0.6
145.04962	0.8
147.04367	0.4
149.06020	0.4
159.02916	0.5
161.06010	0.9
163.03915	100.0
164.04402	0.4
167.03380	0.4
167.06949	0.6
171.07994	0.5
176.10809	0.4
177.05499	1.6
183.04427	0.7
198.06741	1.1
199.07523	0.7
201.05539	0.6
205.04930	0.6
226.06274	8.4
226.08485	0.6
227.07056	1.0
229.05196	0.4
231.04918	0.4
231.10278	0.6
238.06197	0.4
241.08606	21.0
254.05605	0.4
259.09674	5.5
269.08096	24.9
271.06131	0.8
272.06375	0.4
273.06512	0.9
285.07693	0.4
287.09152	42.3
299.09344	0.5
311.09155	1.5
312.06323	0.7
325.10721	0.5
328.97037	0.4
353.10223	0.8
373.09317	1.2
377.10184	0.5
395.11258	0.5
399.33517	0.3
463.52374	0.3
471.14435	0.4
490.28009	0.9
491.28378	1.2
535.30658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01879	0.3
55.43486	0.2
57.03430	0.3
59.01367	0.3
68.99789	0.4
69.03428	1.6
69.85661	0.3
70.25103	1.1
73.02914	0.5
79.05487	0.5
81.03417	2.1
81.07062	0.7
84.08150	1.4
85.02911	3.8
87.00829	1.4
91.05486	0.7
92.02585	0.3
95.04983	0.4
95.08610	0.7
97.02893	1.1
98.20777	0.3
99.04463	0.6
105.01864	0.8
105.07005	0.3
107.08610	0.3
109.02879	1.8
109.06557	0.3
109.10145	0.4
115.40179	0.3
117.03397	0.4
121.06473	0.4
123.04450	0.3
123.05663	0.3
127.03918	1.6
131.04974	0.3
133.10210	0.3
135.04422	11.7
137.02351	2.4
137.06001	2.3
145.02870	0.6
145.04971	0.9
145.06509	0.3
146.31938	0.2
149.05902	0.4
149.09581	0.2
151.04007	0.4
153.07121	0.3
159.02931	0.7
161.06039	0.5
163.03915	100.0
164.04369	0.3
171.08061	0.3
177.05496	1.0
178.20720	0.3
183.04446	0.4
189.05466	0.3
195.80522	0.3
198.06796	1.7
199.07582	0.9
201.05493	0.6
205.04997	1.2
213.08920	0.3
216.07870	0.5
217.12286	0.3
226.06259	9.2
227.07047	1.3
231.10190	0.7
241.08612	21.8
254.05791	0.5
259.09705	6.3
269.08099	28.6
283.09531	0.7
287.09155	47.0
299.09033	0.5
311.09024	1.4
325.10812	0.4
329.10217	0.5
337.10651	0.3
353.10254	0.6
367.11865	0.3
373.30756	0.7
377.10165	0.4
395.11377	0.4
490.27881	0.7
491.28290	0.8
534.30737	0.4
535.18665	0.4
535.31451	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.2
53.03948	1.0
55.01873	1.1
55.05508	0.2
56.99354	0.1
57.03437	0.7
61.02924	0.6
65.03927	0.2
67.01870	5.4
67.05499	0.2
68.02652	0.2
68.99790	1.3
69.03082	0.2
69.03436	3.9
70.06422	0.6
71.05003	0.7
71.68510	0.2
73.02940	0.9
79.01854	0.4
81.03419	3.6
81.41487	0.1
83.01335	0.4
83.04989	0.3
85.02912	8.4
87.00836	2.9
87.04475	0.2
91.03943	0.2
91.05488	1.2
95.04963	0.6
97.02905	2.5
99.04462	2.3
101.02408	0.2
103.03926	0.2
103.57057	0.1
105.01866	2.2
107.04962	0.4
107.73642	0.1
108.02071	0.2
109.02889	4.4
109.06538	0.1
111.04456	1.9
117.01846	0.4
119.04951	3.2
121.02906	0.3
121.06507	0.4
123.04436	0.8
124.01602	0.2
125.02341	0.4
127.00301	0.2
127.03922	8.3
129.01857	0.5
137.05997	0.4
139.03914	0.6
141.05472	0.4
145.01312	0.3
145.04973	3.1
147.02956	0.4
147.04420	11.8
152.01016	0.1
159.02896	2.7
159.59027	0.1
165.05475	0.4
167.03409	100.0
168.03745	0.4
169.66780	0.1
177.03955	0.3
180.48048	0.1
181.05032	0.2
185.04474	5.9
189.03967	0.2
189.05486	0.3
190.35213	0.1
193.04964	1.7
195.02818	0.1
205.04968	0.2
209.04391	0.7
213.03944	0.5
225.16524	0.1
231.04961	1.5
233.04454	0.3
245.08165	0.6
270.05374	0.2
275.05469	0.4
285.07532	1.0
286.08044	0.7
287.09155	46.2
288.09442	0.3
329.10287	0.7
353.10440	0.4
379.06775	0.2
395.11188	0.4
518.16260	0.2
535.13696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98233	0.4
53.03946	1.6
55.01880	1.8
55.05505	0.6
56.58680	0.3
57.03432	0.9
61.02910	1.1
64.80728	0.3
67.05501	0.7
68.99790	1.1
69.03139	0.4
69.03436	4.7
69.07069	0.7
69.95760	1.4
71.05020	0.7
73.02908	1.5
79.05488	0.8
81.03414	5.3
81.07045	1.3
83.04965	0.3
83.08591	0.4
84.95970	0.3
85.02911	12.7
87.00838	4.7
87.97412	0.3
91.03938	0.4
91.05476	1.4
93.07034	0.9
94.74968	0.3
95.01344	0.5
95.04935	0.4
95.08575	0.8
97.02908	4.6
98.97566	0.3
99.00816	0.9
99.04464	2.2
103.05470	4.2
105.01884	2.6
105.03435	0.5
105.07024	1.2
107.04980	0.4
107.08627	0.6
109.02892	4.9
109.10117	0.4
112.01585	1.2
115.56215	0.4
117.01828	0.9
119.08580	0.9
120.08123	2.3
121.10154	0.6
127.00262	1.2
127.03924	8.4
129.01833	0.9
130.06561	0.9
131.04939	9.7
131.08574	0.4
134.32338	0.3
135.11653	0.5
137.02280	0.4
137.05988	1.1
140.01070	0.6
145.04980	4.0
145.09987	0.4
147.02878	0.6
147.11690	0.4
155.03311	0.4
159.02901	4.2
159.11690	0.5
161.13255	0.4
163.03874	0.6
164.07071	1.0
168.00552	22.6
169.01422	0.5
173.04379	0.3
173.05972	0.6
173.10791	0.4
175.07489	0.3
177.05548	0.6
183.02901	78.0
184.07509	0.7
186.01611	10.2
195.02864	0.6
201.03947	1.8
207.02905	0.5
213.03888	0.7
221.04382	0.4
225.03912	3.4
231.05000	1.4
239.79601	0.3
241.08711	0.4
245.08110	1.1
249.03995	1.4
262.06161	0.4
269.12805	0.7
272.06815	1.4
287.09155	100.0
291.04898	0.5
311.09097	1.1
329.10114	1.2
337.10718	1.2
348.17105	1.1
353.10242	0.6
355.12045	0.4
376.16513	0.7
395.06082	0.5
413.07034	0.5
535.18732	0.4
535.30005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.145
Annotation	LLP3
Peak:m/z	Relative Intensity
55.01874	8.1
61.02926	3.3
65.03931	1.5
68.65839	1.5
69.03433	2.1
70.95563	2.6
107.04942	2.8
119.04935	7.7
121.02872	36.0
125.31320	1.4
145.02863	5.5
147.04359	2.8
149.05975	1.9
159.04500	1.4
163.03842	1.5
175.03963	1.9
176.01039	1.7
177.01866	3.8
185.06129	2.1
187.03888	3.3
189.01863	8.5
189.05467	2.4
191.03394	4.7
195.02849	4.1
199.04045	2.5
201.84746	1.4
203.03447	13.2
203.24786	1.6
205.05016	2.4
207.02908	5.5
215.03404	7.7
217.04993	4.7
219.02861	4.6
221.04312	2.5
227.03313	2.0
231.02895	2.9
233.04372	4.4
241.05040	2.9
243.02921	4.4
245.04459	2.5
255.02974	1.9
267.06479	2.1
268.07260	3.4
273.04202	2.3
279.06516	2.3
281.04346	1.5
281.07974	2.5
283.06097	3.8
287.05466	4.3
291.06558	2.7
292.07297	3.2
293.08173	5.1
294.05185	11.4
294.08286	2.1
295.06046	50.9
295.09299	2.1
296.06766	4.9
297.07559	4.6
299.05627	2.1
305.08224	2.2
306.08932	2.2
307.06009	41.0
307.09552	3.4
308.06714	11.9
309.04095	2.3
309.07498	18.1
313.07089	3.6
317.08063	4.5
319.05930	4.2
320.06985	7.7
321.07553	35.0
322.08356	5.2
323.05743	2.5
323.09186	4.9
325.07059	33.7
329.07907	4.5
333.07559	25.3
334.08282	6.2
335.05560	2.7
335.09125	14.1
337.03140	3.3
337.07074	43.3
337.11118	2.8
339.08704	4.5
344.06775	1.8
345.07635	12.9
347.09079	6.4
348.06030	1.7
349.07108	37.4
351.08691	15.5
355.08157	3.4
359.09158	3.6
361.02594	1.3
361.07050	24.9
361.11209	2.4
363.08627	19.2
365.06302	2.3
367.08029	11.3
373.06992	13.0
375.08707	11.0
377.10306	3.4
379.08154	56.2
387.08908	8.6
389.10010	3.6
391.08130	41.0
393.09586	3.7
397.09146	35.2
399.08530	4.3
403.08221	9.4
405.09735	6.4
409.09164	46.0
415.08139	12.2
417.09760	10.3
421.09073	5.2
427.10336	34.8
433.09262	20.7
439.10294	2.0
445.10382	21.1
451.10162	21.9
463.10342	23.7
469.05267	1.7
469.11337	38.1
481.11319	100.0
499.12378	82.7
517.13416	35.3
535.13751	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	535.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.4
61.02924	1.1
62.20600	0.8
68.13918	0.9
68.99786	2.3
70.06594	2.1
71.57449	1.0
80.37509	0.9
80.43483	0.9
85.02868	1.0
91.05458	1.3
97.02874	1.5
107.04919	1.6
109.02868	1.7
119.04964	4.9
121.02872	20.0
121.06510	0.8
127.03953	1.0
135.04417	2.1
137.02348	1.2
137.05992	0.9
145.02843	3.0
147.04402	0.9
149.02281	1.9
149.05959	1.2
153.01836	9.8
161.02348	2.7
161.06027	1.0
163.03922	1.2
171.04538	0.9
175.03912	1.8
177.01831	2.5
177.05350	0.8
179.03389	1.5
185.05910	1.4
189.01862	3.6
189.05446	4.5
191.03380	2.1
195.02794	1.8
199.03917	2.0
203.03387	8.7
203.07004	1.1
205.04987	1.6
207.02924	3.0
213.05450	2.1
215.03320	5.6
217.04970	16.9
219.02882	1.4
221.04430	2.2
227.03394	2.0
229.05038	1.0
231.02916	1.6
231.06494	3.3
233.04372	2.2
241.04970	3.7
243.02901	2.1
245.04411	2.6
259.05957	2.2
261.44119	1.0
267.06543	1.2
268.07147	1.2
269.04501	4.3
271.05997	1.5
279.06598	1.7
280.07288	1.3
281.04642	1.1
281.08179	2.4
283.06036	2.8
284.06815	1.3
285.07495	1.0
286.07944	1.2
287.05511	100.0
292.07251	1.9
293.08151	2.6
294.05255	7.2
294.08472	1.5
295.06036	25.8
295.09363	1.7
296.06833	2.0
297.07632	2.4
305.08130	2.1
306.08813	2.0
307.06012	20.3
307.09479	1.6
308.06769	8.1
309.04294	1.4
309.07523	7.5
313.07028	2.9
317.07983	2.4
319.06052	2.4
320.06729	3.6
321.07593	24.2
322.08374	2.6
323.05493	1.3
323.09091	3.6
325.07098	23.6
329.07968	1.6
333.07529	13.2
334.08316	2.2
335.05634	1.2
335.09152	9.5
336.06274	2.6
337.07047	23.5
339.08572	1.8
345.07587	7.6
347.09045	3.6
349.07077	20.2
351.08679	9.9
355.08127	2.0
359.09079	1.4
361.07004	13.1
361.10962	0.9
362.07822	1.9
363.08606	14.3
365.65845	0.9
367.08344	4.6
373.07077	10.5
375.08618	5.8
379.03214	1.7
379.08148	28.5
387.08768	4.4
389.10339	1.7
391.03098	1.4
391.08160	25.6
393.09494	2.3
397.09195	20.1
399.08557	1.9
403.08078	6.4
405.09726	4.3
409.09189	29.2
415.08582	5.7
417.09875	4.2
421.09045	3.4
427.10315	21.9
433.09155	12.8
445.10471	9.4
451.10242	14.9
459.26752	0.9
462.14166	1.0
463.10132	7.8
469.11301	29.8
481.11304	43.0
499.12375	44.7
517.13306	18.3
535.14563	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	534.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.8
55.05501	15.8
57.07071	13.2
57.79899	4.2
61.02931	7.5
67.05175	5.8
67.05512	75.7
69.07075	32.4
70.34068	3.5
71.08625	10.3
71.56664	4.6
79.05504	23.5
81.07059	100.0
83.08623	19.2
85.02908	7.5
85.10185	6.9
88.11273	5.8
89.06022	5.3
89.78424	3.6
90.27834	3.6
91.05465	18.8
93.07039	29.0
95.08044	7.6
95.08612	83.8
97.06540	8.1
97.10178	15.0
103.86835	4.5
105.07008	12.8
107.08595	23.1
109.10152	35.9
111.08110	4.9
111.11709	4.4
119.08593	12.6
121.10172	22.0
123.11755	21.9
133.10130	11.7
135.11679	13.6
137.13261	8.9
147.11685	11.0
149.13277	10.6
151.14795	5.7
155.14290	3.9
161.13263	11.7
163.14851	15.3
165.16409	9.6
175.14821	11.0
184.07344	6.2
212.73293	4.8
245.22652	67.4
261.16751	4.0
263.23715	89.6
337.27423	45.4
459.54395	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02474	3.0
55.05506	13.8
55.46233	3.0
57.03434	5.6
57.07058	10.8
58.14589	3.0
60.08144	3.2
61.02917	6.8
67.05171	4.9
67.05507	68.9
69.07076	28.0
71.04977	3.7
71.08626	8.3
73.21520	2.9
79.05494	25.6
81.07063	100.0
83.08615	20.8
85.02900	9.1
86.09727	15.8
91.05486	16.3
93.07054	26.6
95.08610	78.5
97.02859	4.2
97.06541	5.3
97.10162	16.4
98.20718	8.2
104.10757	30.7
105.07015	12.5
107.08618	19.9
109.10155	39.8
111.08088	4.8
111.11732	5.1
113.09599	5.9
119.08572	15.0
120.74096	3.3
121.10155	19.8
123.11723	18.4
133.10135	15.9
135.11691	15.4
137.13258	7.0
141.12724	5.0
147.11696	12.9
149.13232	15.2
151.14827	6.9
161.13251	15.0
163.14819	14.4
165.16399	9.3
175.14848	8.9
177.16354	3.7
179.17970	7.3
184.07350	19.1
189.16339	5.0
229.23219	3.4
245.22670	73.7
263.23737	90.6
337.27399	71.1
355.28461	7.2
406.63016	3.1
475.22061	4.1
534.28729	4.5
534.35944	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	535.1091
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01863	0.6
57.03424	0.2
65.64100	0.1
68.99455	0.2
68.99792	1.1
69.03428	0.5
69.07058	0.2
69.31528	1.4
70.06589	0.5
72.08144	0.2
73.02924	0.3
79.05480	0.3
81.03409	0.3
85.02906	0.7
86.09697	0.4
87.00815	0.2
89.06029	0.5
91.05482	0.3
93.07007	0.2
95.01337	0.2
96.52696	0.1
97.02880	0.4
97.06527	0.2
99.04450	0.2
101.31059	0.2
103.05496	0.2
105.03384	0.5
107.04951	0.7
109.02881	0.4
111.00814	0.3
117.03360	0.2
119.04932	0.8
121.02879	1.5
121.06490	0.4
123.04412	0.2
127.03896	0.8
131.04913	0.4
133.06520	0.4
133.08580	0.4
135.04407	0.7
137.02420	0.3
137.05980	0.3
145.02849	0.5
145.04970	0.3
145.06601	0.2
147.04459	0.8
149.02318	1.1
149.06042	0.3
151.03897	0.2
153.01834	9.2
157.06479	0.3
161.02348	2.0
161.05963	0.6
162.06830	0.4
163.03912	0.5
163.07555	0.2
165.01851	0.1
167.07042	0.6
168.07378	0.2
169.07657	0.2
171.02924	0.5
171.04404	0.4
175.03909	1.5
175.07578	0.3
177.01891	0.2
177.05441	0.7
178.06276	0.3
185.06050	0.3
189.01848	0.3
189.05486	3.1
190.06218	1.0
191.03410	0.5
191.07129	0.3
193.08670	0.6
195.02852	0.2
199.03922	0.3
201.05519	0.3
203.03447	0.7
203.07056	0.8
205.04938	0.2
206.05833	0.3
207.02901	0.2
213.05449	1.3
215.03374	0.3
216.04120	0.2
217.04965	13.8
219.06535	0.4
221.08105	5.1
227.03415	0.2
231.06535	3.7
231.86693	0.2
233.04474	0.2
241.04961	2.4
243.03044	0.2
245.04445	1.5
259.06055	1.3
269.04437	2.6
273.28598	0.2
283.05914	0.2
285.07510	0.2
287.05499	100.0
288.05786	0.4
294.05225	0.4
295.05969	2.7
297.07452	0.2
307.06003	1.5
308.06860	0.5
309.07513	0.4
317.08185	0.3
319.05991	0.2
320.06830	0.2
321.07623	1.4
322.08456	0.2
323.09140	0.3
325.07068	1.7
333.07477	0.8
335.09155	0.6
337.06989	1.5
345.07562	0.7
347.09296	0.2
349.07053	1.6
351.08633	0.7
355.07877	0.2
355.11835	0.2
359.09357	0.2
361.07104	1.1
363.08582	1.0
367.08038	0.4
372.88638	0.2
373.07126	0.7
375.08563	0.3
379.08115	2.3
387.08719	0.2
391.08124	2.0
397.09262	1.2
403.08084	0.4
405.09570	0.3
409.09149	2.3
415.09906	0.3
417.09625	0.3
427.10468	1.5
432.65167	0.2
433.09247	0.7
445.09763	0.6
449.10846	0.6
451.10251	0.8
463.10156	0.7
464.19846	0.2
469.11230	1.8
480.21069	0.2
481.11209	2.6
499.12405	2.7
517.13043	1.0
535.10486	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	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05029	0.6
58.06357	0.2
58.06635	0.4
59.07386	0.2
60.08166	6.9
67.05505	0.3
69.82342	0.6
70.13658	0.1
71.07379	3.3
71.08617	0.2
77.71397	0.1
79.05510	0.3
81.07051	0.3
85.02914	0.2
86.09709	30.3
91.05486	0.2
93.07037	0.2
95.08620	0.2
97.02874	0.2
98.86539	0.1
98.98469	3.2
101.12264	0.1
104.10047	0.2
104.10748	4.0
105.07036	0.2
107.08607	0.1
109.10142	0.2
125.00008	21.1
133.10118	0.2
143.01093	0.2
151.11198	0.2
179.14244	0.1
184.07347	100.0
185.07555	0.1
191.02106	0.1
194.73337	0.1
200.80286	0.1
258.11005	0.4
412.42429	0.1
508.93909	0.1
516.31305	0.8
534.31940	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	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.5
57.03431	0.2
58.06371	0.1
58.06622	0.4
60.08167	6.3
63.33301	0.1
67.05504	0.4
69.07079	0.1
70.06593	0.2
71.07377	2.4
71.26309	0.3
79.05488	0.4
81.07067	0.2
82.02843	0.1
86.09709	28.4
91.05479	0.3
93.07053	0.4
96.74939	0.1
98.98468	2.3
104.10743	2.9
105.07040	0.3
119.08595	0.2
125.00012	21.0
128.97633	0.1
133.10129	0.2
143.01022	0.2
143.08514	0.2
184.07347	100.0
219.75473	0.1
325.82355	0.1
498.29913	0.7
516.30878	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	533.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63144	0.3
59.04980	0.5
71.57044	0.4
80.33842	0.4
81.07069	0.6
91.05480	0.6
93.07059	0.8
95.08608	0.5
107.08598	0.4
143.08641	0.4
347.03491	0.3
533.36633	100.0
534.36823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24870	0.2
55.01877	0.3
55.93294	0.2
56.96572	0.2
58.46442	0.2
61.02901	0.3
66.92508	0.2
69.03436	1.7
69.41570	1.3
70.06580	0.4
73.02910	0.4
73.83291	0.2
77.38892	0.2
79.05466	0.2
81.03419	1.3
85.02903	1.9
87.00814	0.3
91.05496	1.7
97.02871	0.9
99.04486	0.3
105.01844	0.3
106.06516	0.3
109.02906	0.9
109.84943	0.2
113.74725	0.2
119.04906	0.5
127.03941	1.5
130.06505	0.2
132.08144	0.2
137.06009	1.1
142.41170	0.2
145.05002	0.2
145.10136	0.2
147.04384	0.3
161.04800	0.2
162.05518	0.8
163.06290	0.8
164.07036	0.3
165.06972	0.5
166.07820	0.2
167.08546	0.4
169.08835	0.2
175.06277	0.5
176.07050	0.8
179.08559	0.6
180.08028	0.2
181.10095	0.5
187.05998	0.2
188.07101	0.3
190.07759	0.8
191.08589	7.9
193.08987	0.9
194.07176	0.2
199.06320	0.5
201.07819	0.3
206.09660	0.5
207.08185	0.5
208.07646	0.4
208.11240	5.5
209.09634	0.3
211.07579	0.4
212.06987	1.4
214.08624	0.4
215.09419	0.3
219.08069	5.6
221.08293	0.6
222.09093	0.3
224.06975	0.6
224.10629	0.4
225.07811	5.7
226.08636	0.8
226.12248	0.5
236.10721	6.1
237.09167	5.7
237.11441	0.8
238.08702	1.8
239.09425	4.0
252.10234	6.2
253.11055	0.9
254.11777	100.0
255.12122	0.6
293.38831	0.2
296.12683	0.3
357.15146	0.2
380.48108	0.2
458.18134	3.4
490.20792	2.3
502.17142	10.9
534.19745	21.5
535.20630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.7
55.06716	0.5
55.40621	0.5
55.90844	0.4
67.05489	1.0
71.57169	0.5
79.05498	0.7
81.07064	1.2
93.07030	0.6
95.08599	0.6
105.06954	0.5
136.82481	0.5
179.38390	0.5
195.00281	0.5
253.12839	0.5
305.80566	0.5
376.60110	0.4
404.50250	0.5
483.32840	0.5
515.36102	0.8
533.34534	100.0
534.35742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97909	0.3
53.03931	1.1
55.05484	1.4
69.03431	2.3
70.06587	0.6
70.89492	0.9
71.01332	0.3
71.04961	0.4
72.08148	0.3
73.06558	1.9
78.77655	0.3
79.63950	0.4
81.03429	3.5
85.02443	0.3
85.02913	4.6
91.05487	0.7
93.05759	0.5
97.02901	4.6
99.04447	0.7
105.06985	0.3
106.06527	1.0
108.08102	2.0
109.02856	1.4
118.06525	0.4
121.05277	0.4
127.03907	2.4
130.05585	0.5
130.06538	9.1
136.07584	4.5
148.87833	0.3
150.05536	0.4
152.06152	0.4
153.06947	0.3
154.06491	0.8
161.05984	0.9
163.03830	0.3
165.07086	1.6
166.06485	0.8
167.07254	0.9
167.08583	1.1
168.06798	0.4
168.08110	3.3
178.06459	0.4
180.08047	2.6
181.07504	0.4
181.08952	1.8
183.09247	0.8
187.08678	0.7
191.07307	0.8
192.08177	4.5
193.07455	3.4
193.08943	1.2
194.09695	10.6
195.09198	2.1
204.08113	9.1
204.10068	0.4
205.07526	3.9
206.08342	12.7
207.09183	100.0
208.09970	6.0
210.09152	0.6
211.08658	0.8
213.10129	0.3
215.08194	0.8
219.09177	5.9
220.09943	8.9
220.11945	0.6
221.10744	97.8
222.11472	4.7
223.12308	22.4
224.12543	0.3
234.07935	0.4
237.10268	0.9
238.11061	0.4
239.11801	44.7
247.08698	0.7
248.09309	0.4
249.10245	15.0
252.08975	4.2
253.09702	1.6
253.13420	1.5
254.10519	1.5
265.09778	0.6
266.10629	0.4
267.11298	64.6
268.11737	1.0
281.12772	2.7
285.12302	1.6
299.13931	7.2
309.12396	2.1
341.15027	0.4
369.14526	0.3
375.13428	1.6
393.14462	45.2
394.14813	0.4
411.15524	23.2
425.17081	13.2
429.16809	0.5
443.18127	5.2
501.22351	37.3
533.25024	24.7
534.25537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63459	0.4
53.03926	0.7
55.04055	0.4
55.05497	1.1
57.03416	0.5
68.05010	0.6
69.03441	2.6
69.36839	3.3
69.67093	0.4
70.06576	1.3
71.04977	0.9
73.02907	0.7
73.06563	2.7
81.03426	4.2
84.08131	0.6
85.02913	5.7
89.06072	0.5
91.05462	1.0
93.05781	0.6
97.02904	4.6
99.04412	0.5
104.04982	0.7
106.06532	1.2
108.08137	2.0
109.02863	1.8
114.28342	0.5
115.03915	0.7
127.03958	2.4
129.10231	0.6
130.06540	9.0
133.04900	0.8
134.04556	0.5
136.07591	4.8
138.23827	0.4
152.06131	0.6
154.06497	0.9
160.52765	0.4
161.06007	0.8
165.06987	1.4
166.06537	1.1
167.07310	0.9
167.08603	1.2
168.08099	3.2
177.07060	0.5
179.07256	0.6
180.08067	2.0
181.07503	0.6
181.08865	2.1
187.08740	0.7
191.07268	1.1
192.06750	0.9
192.08156	5.0
193.07458	3.1
193.08989	1.2
194.08057	0.6
194.09673	9.9
195.09146	1.3
196.11115	0.6
203.07555	0.6
204.08115	8.0
205.07520	4.0
206.08330	13.7
207.09186	100.0
208.09972	5.9
210.09334	0.7
211.08591	1.1
215.08200	1.0
219.09207	5.2
220.07861	0.3
220.09961	9.0
221.10745	97.6
222.11526	5.1
223.12314	23.6
237.10252	1.0
239.11806	40.0
249.10243	13.5
252.08969	4.1
252.44180	0.4
253.09747	1.3
253.13385	1.2
254.10535	1.3
255.64760	0.5
267.11304	68.1
268.11981	1.0
281.12772	3.2
285.07684	0.5
285.12375	0.9
299.13922	7.4
309.12286	1.3
375.13571	1.5
393.14468	47.1
411.15521	23.5
425.17047	13.0
439.41870	0.5
443.18265	5.0
462.48267	0.4
501.22372	33.6
516.11853	0.6
533.25000	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1295
Annotation	Apigenin 7-methyl ether 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03954	1.1
55.01868	1.1
55.05510	0.3
56.96566	0.2
57.03438	1.2
61.02926	1.2
68.99780	0.9
69.03430	7.3
69.07040	0.4
70.13116	0.4
70.13492	0.6
71.04979	0.8
73.02917	1.2
79.05439	0.2
81.03419	5.9
81.07043	0.4
85.02905	11.3
87.00307	0.2
87.00834	4.4
87.04441	0.5
91.03901	0.2
91.05476	0.8
93.07044	0.4
95.04914	0.2
95.08603	0.3
97.02893	3.1
98.97573	0.2
99.04462	2.2
99.89011	0.2
101.02371	0.3
103.03909	0.6
105.01856	2.1
105.07014	0.4
107.04943	0.6
109.02882	4.8
109.10133	0.2
115.03953	0.3
117.01839	0.3
119.04903	0.3
119.08591	0.3
121.02803	0.2
121.06508	0.4
123.04453	0.3
127.03914	8.2
129.01797	0.9
135.04437	0.2
137.05983	0.3
139.66579	0.2
141.01817	0.2
145.02840	0.8
145.04956	1.9
145.10141	0.2
147.02864	0.5
159.02899	1.8
159.04314	0.4
163.03934	1.2
164.07092	0.2
167.03410	3.2
169.06465	0.2
171.73384	0.2
179.03447	0.5
183.08052	0.2
184.07326	0.3
189.03963	0.4
197.06017	0.3
201.09056	0.4
211.07529	0.5
213.03889	0.4
214.06233	0.4
224.04559	0.3
229.08606	2.9
231.04991	1.2
239.07039	0.3
242.05759	1.4
255.06407	0.2
257.08072	2.0
267.06348	1.1
268.07202	0.4
270.05264	0.7
283.06015	0.5
285.07571	100.0
286.07901	0.8
309.07538	0.8
321.07651	0.3
327.08615	1.9
351.08810	0.3
447.12811	0.4
447.22668	0.2
533.12732	1.1
533.29956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1296
Annotation	Isoorientin 2'',6''-diacetate
Peak:m/z	Relative Intensity
52.96301	0.7
57.03443	0.9
60.54946	0.7
65.03957	0.8
69.03413	0.9
70.73643	1.6
70.73959	1.0
76.08596	0.7
81.03405	1.9
85.02904	2.8
87.17076	0.8
91.05502	1.5
93.03384	0.8
98.85517	0.8
107.04948	2.1
109.02924	1.5
115.05531	1.0
119.04974	5.8
121.02870	8.5
127.03921	1.0
131.04955	1.0
135.04492	0.8
137.02368	1.9
137.05972	2.2
145.02893	1.6
159.04391	1.4
161.02359	1.5
175.03824	1.3
177.01875	5.2
177.05458	1.3
179.03423	2.7
182.67374	1.0
185.98883	0.9
187.03934	0.9
189.01840	9.4
190.02547	1.7
191.03394	2.1
195.02873	6.2
199.03802	1.5
201.05502	1.5
203.03407	11.5
207.02895	5.3
213.05521	1.1
214.06248	1.0
215.03375	1.3
217.04953	4.5
219.02895	1.8
221.04459	3.2
224.66483	1.0
225.05463	1.9
227.03439	3.2
243.02867	1.7
245.00708	0.9
245.04620	1.3
247.02390	2.1
253.05019	1.2
255.02921	5.2
268.07410	2.5
270.05231	3.4
271.05875	0.9
273.03989	1.6
279.06573	4.0
280.07101	1.4
283.05969	3.6
285.07614	23.5
293.08133	2.3
294.05261	4.4
295.06027	100.0
296.06750	4.9
297.07672	5.4
307.06030	34.1
308.06805	9.2
309.04208	1.1
309.07523	3.1
311.05750	1.0
311.10052	1.0
317.08145	1.2
319.05991	7.3
320.06943	2.0
321.07611	32.3
322.08423	2.0
323.05560	9.0
325.07080	32.2
333.07526	2.0
335.05411	5.9
335.09152	14.2
336.06210	1.7
345.07590	3.7
349.07068	18.3
351.04938	2.7
351.08707	2.8
353.06573	1.1
360.06308	1.3
361.07071	18.5
361.11212	1.3
363.08655	4.2
365.06567	12.7
365.10666	1.7
367.08026	2.3
371.07700	2.2
373.07074	9.0
374.07678	1.0
377.06442	5.0
379.07877	0.9
383.07645	42.2
385.07178	1.1
389.06467	1.8
391.07990	7.4
395.07550	17.8
395.12161	1.4
401.06796	1.6
409.09171	2.2
413.08685	36.6
419.07526	1.9
423.10919	1.6
433.09021	1.4
437.08685	51.5
449.08755	6.4
451.10327	1.4
461.08606	7.1
467.09805	25.4
471.25107	1.1
479.09799	22.7
497.10770	26.3
515.11853	12.0
533.12799	2.1
533.24707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1293
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
78.91273	0.2
81.66712	0.2
81.78106	0.2
95.09531	0.2
98.21496	0.5
134.03624	2.3
137.02341	5.2
141.07007	0.4
169.06488	0.5
181.06418	0.4
183.04390	0.3
185.05916	0.3
186.06734	0.4
197.05948	1.6
213.05466	2.9
214.06258	3.1
225.05475	6.1
228.58882	0.2
229.08614	1.1
242.05815	0.6
245.64941	0.2
253.04950	10.6
257.08151	0.2
269.04504	1.9
270.05228	16.6
285.07565	100.0
286.07828	0.6
334.40097	0.2
533.12860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
53.03947	3.7
55.01865	1.2
55.05265	1.0
55.05517	16.6
57.03429	2.3
57.07075	3.0
63.17922	0.5
65.03947	1.7
67.05508	52.6
69.03406	0.9
69.07072	17.9
69.91707	0.5
70.18133	1.2
70.18500	1.1
71.04996	3.8
71.08649	2.7
73.80807	0.4
74.07654	0.6
75.48109	0.6
79.05495	28.7
81.07062	47.8
83.04990	2.2
83.08621	9.8
85.06557	4.1
85.10189	1.0
87.04478	2.2
91.04897	0.6
91.05484	20.9
93.07050	32.2
95.04978	2.8
95.08612	63.3
97.06551	5.2
97.10168	3.7
99.08097	2.7
105.00130	0.7
105.04517	1.3
105.07038	17.6
107.08598	17.1
107.09293	1.0
109.06495	1.4
109.10160	16.4
111.08074	1.5
113.09686	0.6
115.05504	0.6
117.07023	4.5
119.08590	17.6
121.10155	14.4
123.08076	1.3
123.11736	2.0
125.09637	0.6
129.07021	1.8
131.08568	8.8
133.08635	0.6
133.10147	11.4
135.07974	0.5
135.11690	10.5
137.09654	0.7
137.13255	2.4
143.08591	1.4
145.10129	8.8
147.11691	6.1
149.13268	4.4
151.11212	1.0
151.14806	1.1
153.12849	0.6
155.08594	0.7
157.10149	1.6
159.11705	6.7
161.13284	10.7
163.11165	1.0
163.14893	1.6
169.10091	0.9
171.11717	1.5
173.13272	3.6
175.14902	1.8
179.14308	5.7
181.15906	0.7
185.13283	1.0
187.14893	2.2
197.13370	0.8
197.15338	1.3
199.14821	1.1
201.16414	0.8
213.16365	0.9
215.16411	0.8
255.19643	1.0
259.20490	0.8
261.22113	3.3
273.22183	0.7
277.21829	1.5
289.21820	0.6
291.23355	0.6
299.23697	0.9
303.10913	0.5
317.24924	1.4
342.48389	0.6
368.73553	0.6
382.28091	0.8
421.34708	1.9
439.35626	4.4
457.36813	1.8
475.38458	1.1
495.38861	0.7
513.39392	5.5
531.40503	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.9
55.01863	2.3
55.05516	23.9
57.03430	4.9
57.07076	14.2
59.04989	2.9
61.02921	2.9
67.05511	27.4
69.03442	15.0
69.07075	51.2
69.77599	4.3
69.77999	6.9
71.05000	8.9
71.08636	3.2
73.02905	4.3
76.29191	1.8
79.05493	14.2
81.03423	12.2
81.07063	79.1
83.08619	36.1
85.02906	33.6
85.06535	2.7
87.00432	1.7
87.00846	16.8
91.05466	5.4
93.07042	25.0
95.08613	100.0
97.02896	8.2
97.10169	18.9
98.21522	1.8
99.04427	3.6
99.08097	5.6
105.01852	14.0
105.07030	5.3
107.08601	22.8
109.02850	9.7
109.10163	74.7
111.11715	10.3
113.09642	5.1
113.49710	1.8
117.43888	1.8
119.08636	3.3
121.10152	44.3
123.11715	32.0
123.21532	1.9
125.13281	3.0
127.03918	19.6
129.01855	2.0
133.10144	3.0
135.11694	26.3
137.05896	2.3
137.13274	28.4
139.11205	5.2
141.22168	1.7
145.04935	6.9
147.11684	1.9
149.13272	21.2
151.14854	12.4
155.14304	2.0
159.02921	5.5
163.14853	13.8
165.16420	19.3
177.16367	10.3
183.17430	6.6
191.17981	19.4
231.04933	3.6
247.24217	78.7
249.05925	2.9
265.25281	58.8
282.67776	2.3
283.26337	8.1
407.24667	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	531.15
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
54.44415	0.8
55.01628	1.2
55.01872	17.4
55.05500	2.0
56.96565	1.9
57.03435	6.3
57.72528	0.9
58.61937	0.8
59.05006	1.1
61.02903	2.6
65.10705	0.9
67.05492	2.9
68.99783	2.5
69.03432	23.4
69.07063	1.8
69.72839	1.8
69.73231	4.3
70.06600	1.2
71.01344	4.6
73.02896	2.3
79.05487	3.0
81.03416	5.9
81.07046	6.1
85.02908	32.7
87.00830	21.7
87.04453	4.5
91.03935	1.6
91.05473	5.8
93.07045	1.8
95.04975	2.3
95.08614	3.1
97.02895	26.7
98.97551	1.7
99.04456	1.4
105.01869	12.0
105.07047	2.1
107.04938	1.0
107.08595	1.8
109.02863	4.4
109.06507	1.3
109.10162	2.6
115.03934	51.3
118.04157	2.6
119.04969	1.1
119.08630	1.4
121.02898	1.6
121.06511	24.6
121.10142	1.8
123.04408	1.2
125.02355	3.0
127.03905	6.2
131.04945	2.1
133.04999	1.1
133.06499	9.8
133.10025	1.1
137.05995	7.6
145.02832	1.1
145.04968	1.5
146.03577	1.1
147.04384	3.0
149.05983	33.2
151.03957	1.6
151.07478	1.4
159.02931	2.7
161.05986	100.0
162.06764	7.2
165.07037	1.2
169.06438	1.1
171.02893	1.3
177.05473	63.5
195.08099	2.3
196.08751	1.1
197.06085	1.2
201.03917	9.2
203.05273	2.8
211.07559	1.8
212.08220	1.6
219.04999	5.1
223.07550	2.3
224.08354	3.9
225.09071	1.9
226.06400	1.0
227.07196	1.2
227.10698	1.5
235.07646	1.2
237.05452	6.0
239.06989	1.6
239.10745	2.7
240.07806	5.6
241.08574	1.4
248.07877	0.9
251.07178	4.6
251.09326	1.0
252.07829	11.0
254.09427	1.5
255.06570	3.9
255.10165	5.8
257.11752	20.8
266.09378	2.3
267.06506	1.9
267.10110	3.2
268.07336	2.5
269.08081	3.7
270.08829	5.7
271.06030	1.4
281.08127	2.1
282.08896	2.7
283.09653	47.1
284.10373	2.8
285.11215	95.6
286.11438	1.1
295.09668	3.8
297.11249	6.5
307.09616	1.1
309.11319	1.6
311.09158	2.7
313.07007	2.4
319.19727	1.5
321.11337	1.1
325.07153	1.0
325.10754	3.0
327.12332	2.2
351.28687	4.0
363.12201	5.4
367.17953	3.2
381.13269	2.0
391.11737	2.3
414.71814	1.0
427.13965	1.2
530.33850	7.0
531.14850	1.5
531.22266	1.6
531.34686	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	531.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78041	0.1
61.02928	0.5
67.01875	0.5
67.05492	0.1
68.99770	0.4
69.03419	0.1
69.39418	0.4
69.39819	0.2
70.06577	0.1
71.04985	0.1
72.08167	0.1
73.02908	0.1
79.05520	0.1
80.40652	0.1
81.03413	0.2
81.07046	0.2
85.02916	0.6
91.05492	0.6
95.04938	0.1
95.08629	0.1
96.23592	0.1
97.02871	0.3
97.06503	0.1
98.97598	0.1
99.04482	0.1
105.07037	0.1
107.04961	0.1
109.02895	0.2
111.04424	0.1
113.02383	0.3
119.04958	2.2
120.27847	0.1
120.62679	0.1
121.02882	0.6
123.11719	0.1
127.03934	0.2
129.01811	0.1
137.05998	0.2
145.02846	0.7
145.06566	0.1
145.10045	0.1
149.09650	0.1
153.01842	4.6
161.05986	0.1
163.03961	0.6
164.07097	0.1
169.06479	0.1
171.02916	0.4
187.03906	0.2
196.92763	0.1
197.06052	0.1
203.07010	0.1
225.05469	0.3
229.05020	0.3
243.06523	0.3
247.06007	0.1
253.05049	0.1
271.06027	100.0
272.06332	0.5
299.14001	0.1
438.79941	0.1
531.11755	0.9
531.24274	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08242	0.1
51.85781	0.1
53.03929	0.1
55.05500	0.4
55.98336	0.1
57.03423	0.2
61.02652	0.1
61.02930	1.3
65.03947	0.1
67.01853	0.3
67.05488	0.3
68.99808	0.3
69.03420	0.4
69.07053	0.4
71.04971	0.1
71.10137	0.2
72.08128	0.1
73.02924	0.2
79.05467	0.2
81.03405	0.4
81.07064	0.6
83.04975	0.2
83.08616	0.2
85.02901	1.0
85.06537	0.2
91.03962	0.1
91.05473	0.8
93.07030	0.3
95.01308	0.4
95.04958	0.1
95.08609	0.4
95.57086	0.1
97.02893	0.5
97.06555	0.1
99.04487	0.1
105.07036	0.2
107.08594	0.3
109.02866	0.3
109.10191	0.2
117.07024	0.1
119.04950	2.3
119.08595	0.2
121.02876	0.9
121.06473	0.2
121.10165	0.3
123.11715	0.2
127.03898	0.4
129.01872	0.2
129.07104	0.1
130.74196	0.1
131.04945	0.1
131.08543	0.1
133.10150	0.2
134.03799	0.1
135.08134	0.1
135.11707	0.2
136.06140	0.1
137.05984	0.7
139.21541	0.1
141.01823	1.3
145.02826	0.6
145.04875	0.1
145.06494	0.1
145.10083	0.1
147.04402	0.1
147.06696	0.1
149.09615	0.1
153.01836	4.7
155.03416	0.1
161.05994	0.1
163.03917	0.4
164.07071	0.2
167.06961	0.1
171.02876	0.4
173.05960	0.2
173.13255	0.1
175.14796	0.1
177.05461	0.3
183.02873	0.1
187.03841	0.1
203.07115	0.2
205.10985	0.2
225.05481	0.4
229.04958	0.3
236.63828	0.1
243.06474	0.3
247.16827	0.1
247.24292	0.1
261.05945	0.2
267.65576	0.1
270.05164	0.1
271.06012	100.0
272.06326	0.4
283.05945	0.1
283.09116	0.1
283.26297	0.1
295.06192	0.1
313.07144	0.2
410.23166	0.2
416.24203	0.2
417.24600	0.2
418.74176	0.2
432.24554	0.2
440.75604	0.3
441.25189	0.1
449.75848	0.1
450.26050	0.1
461.26813	0.1
490.27988	0.2
490.76721	0.1
499.76657	0.1
521.77979	0.2
530.78577	0.2
531.19586	0.1
531.28387	0.1
531.35278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58046	0.1
55.01871	0.2
55.05498	0.5
56.96566	0.2
57.03437	0.1
59.04993	0.2
60.53511	0.1
61.02908	0.2
67.05499	0.3
69.07063	0.4
69.52779	0.9
71.08635	0.3
79.05473	0.2
81.07050	0.2
83.04963	0.4
83.08628	0.1
84.01913	0.1
85.02908	0.2
85.73347	0.1
91.05471	0.2
93.07056	0.2
95.08615	0.4
98.97588	0.1
101.80406	0.1
106.06535	0.2
107.07332	0.6
107.08527	0.1
117.05768	0.3
118.06542	2.1
119.08598	0.2
120.08130	0.4
121.10151	0.2
130.06532	1.1
131.07315	0.6
132.08096	1.8
133.08850	0.5
133.10077	0.1
134.09621	0.2
144.08072	0.9
145.08936	0.3
146.09641	2.0
150.50569	0.1
156.07980	0.1
158.09651	0.4
160.11234	0.6
172.11226	0.3
174.12866	0.2
186.12779	0.3
188.14348	1.3
194.81151	0.1
200.14401	0.2
202.15913	1.7
203.16666	0.3
204.17464	0.2
216.17444	1.9
228.17468	0.7
230.15430	0.3
230.19022	0.6
244.17044	0.3
244.20457	0.1
256.16989	1.2
258.18494	0.4
270.18542	0.2
272.23816	0.3
276.19748	0.1
300.19714	0.1
305.04755	0.2
312.27005	0.4
324.26859	1.9
340.26367	3.4
344.25858	0.3
351.00320	0.2
356.25983	0.5
358.27368	0.5
368.25836	9.6
374.27490	0.2
378.35178	0.1
384.29166	0.2
386.26889	4.6
386.31873	0.2
404.28052	0.6
414.30035	0.2
428.35535	0.2
442.29489	1.0
444.34760	1.5
456.34613	0.3
460.30609	1.9
474.35812	6.0
491.78860	0.2
507.12698	0.3
525.13196	0.4
530.38403	100.0
531.39056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89331	0.9
53.03955	1.8
55.01870	2.5
55.05519	9.3
56.96553	1.5
57.03440	7.7
59.04985	1.2
65.03915	1.3
67.05176	1.5
67.05509	20.5
69.07072	9.9
69.34220	5.7
69.34630	1.9
71.04992	2.5
79.05131	1.0
79.05505	11.2
79.54456	0.9
81.03416	1.4
81.07060	64.8
83.04994	4.6
83.08627	6.4
85.02892	2.0
85.06544	3.4
91.05482	19.0
93.07054	9.5
95.04964	2.0
95.08608	15.7
97.06520	6.1
97.10167	0.9
97.56310	0.9
98.97568	1.2
99.08090	3.4
105.07037	28.1
107.08089	1.0
107.08613	10.5
109.06508	4.4
109.10152	1.7
111.08073	1.4
113.05994	1.8
119.08595	21.2
119.09444	1.2
121.10162	14.5
123.08070	3.8
123.11713	22.7
127.03851	1.0
127.07520	1.6
129.06937	1.6
133.10136	3.4
137.13228	2.7
145.10106	1.5
147.11690	57.5
151.07468	1.2
157.10146	3.0
165.11401	1.8
165.12753	23.8
175.11194	1.7
183.13826	3.3
187.04518	1.8
193.12315	1.8
203.63788	1.1
220.59084	1.0
221.50497	1.0
229.14343	6.6
236.62944	1.1
251.31557	1.0
258.30630	1.0
267.15924	74.0
285.16968	100.0
403.24371	1.1
477.28540	11.9
495.29562	44.0
530.32941	5.2
559.97223	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01865	6.1
55.05513	37.1
57.03428	17.8
57.07074	4.4
59.05003	4.1
65.03947	4.1
67.05508	100.0
67.85648	2.7
69.03424	5.8
69.07064	21.6
69.91169	10.1
71.04990	4.7
71.08627	7.3
73.02945	5.7
75.72227	2.8
79.05491	40.4
81.03432	14.8
81.07056	74.8
82.07343	3.1
83.04967	9.7
83.08623	20.3
85.02901	11.0
85.06539	5.2
87.04457	7.4
89.06017	4.9
91.05479	32.8
93.07046	49.3
95.04958	10.4
95.08614	24.6
97.06536	9.3
97.10193	14.2
98.21449	2.7
99.08057	2.9
105.07034	12.9
107.04981	4.6
107.08591	30.3
109.06525	2.6
109.10161	40.3
109.59165	3.1
111.08100	5.0
117.07017	11.9
119.08568	9.1
121.06516	6.2
121.10135	10.4
123.02102	2.9
125.09658	17.3
129.05539	5.2
131.08563	8.0
133.10130	15.6
135.11708	18.3
149.13245	14.2
153.12715	5.3
159.11684	7.6
159.82033	2.7
163.11156	10.5
173.09605	3.1
173.11725	12.1
177.12695	6.9
193.12144	4.4
195.13756	17.1
199.13319	11.6
209.11740	4.6
213.14926	3.3
227.12767	7.5
229.14386	51.2
239.16426	4.4
269.17499	64.6
301.16440	19.0
317.95700	3.1
411.27524	3.5
415.32758	2.8
423.27350	16.2
447.34076	2.8
495.29553	23.5
513.30786	23.4
530.39679	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	530.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01862	0.9
55.05502	1.4
56.96558	1.2
57.03432	1.8
61.02925	1.6
67.05509	1.3
67.21632	0.8
69.03417	2.6
69.07059	1.3
70.02946	0.8
70.06594	1.5
71.05010	1.3
71.08618	0.9
71.56405	1.1
72.08162	4.2
73.02903	1.5
74.09705	0.7
79.05478	1.6
81.03436	3.6
81.07058	2.9
84.04517	0.8
85.02916	4.1
85.06533	0.8
86.09708	1.6
87.00832	0.8
87.04488	1.2
89.06056	0.9
91.05469	2.9
93.07071	0.8
95.08598	0.9
97.02895	3.0
97.06534	0.8
98.97565	2.4
99.04401	0.8
100.07575	0.8
101.05999	1.1
105.07041	1.6
107.04959	1.5
107.08589	1.2
109.02879	2.3
110.97576	1.0
116.98654	0.9
118.06561	1.0
118.08660	2.6
119.04951	2.4
119.08598	1.3
121.02898	7.3
121.10151	1.1
127.03913	3.2
128.98650	0.9
133.36766	0.7
135.04463	0.9
137.06012	2.5
143.04938	0.9
145.02911	0.8
145.04997	1.1
146.08061	0.8
147.04375	1.5
149.05940	0.8
160.07574	2.4
161.06030	1.1
161.09564	1.0
164.07057	1.4
164.10721	1.2
175.03883	1.1
176.07143	1.5
176.10730	1.4
177.01834	2.1
177.05505	0.9
177.07747	1.1
184.07352	2.1
187.04033	1.2
189.05450	0.9
191.03325	0.7
192.02980	2.5
192.10184	1.2
195.02927	3.4
199.03917	1.4
203.03415	5.3
204.03499	0.6
204.79768	0.7
207.02853	1.9
207.06645	0.8
214.04805	0.8
215.03400	1.1
217.04977	3.8
218.02594	0.7
218.04576	2.4
221.04579	0.9
227.03275	1.2
232.06091	1.6
237.02885	1.0
243.02985	1.7
243.10123	0.7
255.02812	2.4
256.13297	1.3
262.10712	3.2
263.16489	1.2
264.16800	2.6
273.03934	1.0
279.06693	0.9
279.09610	0.8
281.17285	0.9
282.17889	1.9
283.06094	3.5
288.12363	1.9
289.08682	0.8
295.06042	32.3
295.09378	1.9
297.07556	1.4
302.13913	2.0
305.07925	0.8
306.08054	1.0
307.05960	3.8
309.07608	2.6
310.07056	4.4
312.12439	0.8
313.07114	0.8
315.14694	2.1
317.08533	1.6
321.07547	13.5
325.07104	5.0
333.07428	2.1
335.09161	11.2
336.08679	3.3
337.10443	1.3
338.10788	0.9
339.11856	3.4
340.11935	1.8
345.07468	2.0
349.07144	1.8
350.10391	1.2
356.18661	1.0
361.07117	7.0
368.15298	1.3
373.07022	3.5
380.14951	100.0
381.14667	0.8
391.08014	1.0
392.15067	1.0
394.12317	1.0
402.17145	1.3
406.16507	18.9
410.16034	17.8
418.16809	1.7
418.24194	1.6
420.18100	19.0
430.16428	2.3
434.16064	41.2
440.25113	1.0
446.15997	22.5
448.17554	4.7
458.16025	4.3
464.17142	13.5
476.17081	28.9
477.25601	0.9
494.18134	38.1
499.26584	3.4
508.27197	1.0
512.19257	22.8
521.27893	2.5
530.20801	1.3
530.27783	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	529.3508
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
50.72381	0.4
51.97423	0.5
53.03926	0.5
55.05488	1.7
57.03421	0.7
57.07059	0.5
59.04965	0.5
67.05506	6.3
69.07071	2.5
69.75282	1.3
69.75687	1.3
70.06592	0.5
71.08611	0.7
79.05494	3.6
81.06670	0.6
81.07068	6.7
83.08610	1.2
85.06567	0.5
85.10178	0.6
89.06062	0.6
91.05466	1.7
93.07039	3.5
95.04905	0.5
95.08635	3.6
105.07032	2.3
107.08600	2.3
109.10155	2.2
119.08557	1.7
121.10113	1.4
123.11680	0.5
131.08517	1.1
133.10081	1.5
135.11635	1.3
138.93312	0.5
143.08574	0.5
145.10139	0.8
147.11711	0.9
149.13229	1.3
159.11719	1.0
173.11774	0.6
185.09682	0.5
195.09941	8.0
196.06628	0.5
245.46881	0.5
251.12471	1.3
335.25632	1.5
357.23724	1.4
471.36127	0.5
496.18134	0.5
529.34912	100.0
530.35205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01882	1.5
55.05260	1.0
55.05512	14.4
57.03439	3.2
57.07079	4.1
57.70177	0.6
59.04988	2.5
59.05254	0.6
65.03938	2.5
67.05508	50.9
69.03429	1.4
69.07070	13.6
71.04995	3.0
71.08616	2.0
71.41875	0.8
71.42223	0.9
77.03873	0.7
78.30148	0.5
78.52399	0.5
79.05495	38.5
81.03416	2.1
81.07059	56.4
83.04983	2.7
83.08627	9.0
85.06553	2.7
85.10181	1.5
87.04459	1.1
89.06024	1.1
90.89430	0.6
91.05480	22.1
93.07045	50.0
95.04968	4.0
95.08607	24.3
97.06532	5.6
97.10172	1.9
99.08094	1.5
105.04543	1.0
105.07033	13.8
107.08596	26.6
109.06532	2.1
109.10147	7.4
111.08106	3.4
115.05464	0.6
117.07019	8.5
119.08582	11.1
121.10149	19.0
123.11714	2.9
125.09692	0.6
126.53024	0.6
129.07021	1.4
131.08569	12.0
133.08606	1.0
133.10146	9.0
135.08044	1.3
135.11685	9.9
137.13324	0.7
139.11186	0.8
143.08589	2.1
144.09323	0.8
145.10114	8.1
147.11670	4.8
149.12047	0.9
149.13257	18.0
149.74339	0.6
155.08530	1.4
157.10101	3.0
159.11690	12.0
161.13216	4.3
163.14838	1.6
167.08588	0.9
169.10164	1.2
171.11705	2.4
173.13275	3.3
175.14888	1.7
177.12811	3.0
181.10252	0.8
183.11755	1.2
185.00774	0.7
185.13310	2.5
187.14890	2.6
189.16364	0.9
195.12064	1.2
195.13797	6.0
197.13287	1.4
199.14815	1.6
201.16460	1.0
223.14850	0.8
243.21112	1.4
256.26398	0.7
261.22162	3.6
285.22302	0.7
297.22241	0.7
317.24838	1.3
353.17096	0.6
419.33041	0.8
437.34253	4.5
455.35312	2.0
511.37738	2.7
529.38928	100.0
530.39130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01865	0.8
55.05514	9.4
57.03445	2.3
57.07068	2.2
59.04996	0.7
65.03939	1.4
67.05511	28.3
69.03466	0.6
69.07079	8.6
70.71667	0.7
70.71995	1.3
71.05002	1.4
71.08629	1.1
79.05499	19.8
81.03445	0.8
81.07062	34.5
83.04984	2.4
83.08631	5.7
85.06543	1.0
91.05487	14.7
93.07051	26.8
95.04969	2.1
95.08614	16.9
97.06541	3.2
97.10188	1.6
105.04523	0.9
105.07040	13.9
107.08600	14.7
107.09292	1.0
109.10171	4.9
111.08122	2.0
113.41941	0.7
117.07025	6.7
119.08589	8.7
121.10147	11.2
123.08080	0.9
123.11719	2.0
125.09647	0.8
129.07008	2.9
131.08589	11.3
133.10144	7.7
135.11697	6.0
137.13240	1.0
143.08560	4.7
145.10139	8.3
147.11681	3.3
149.13263	6.2
151.11171	0.8
155.08580	2.3
157.10129	4.2
159.11717	7.5
161.13287	3.2
167.08607	0.9
169.10175	2.6
171.11725	3.7
173.13300	2.9
175.14885	1.3
175.79088	0.6
177.12865	2.0
181.10107	1.4
183.11771	1.8
185.13304	2.0
187.14859	2.6
195.11853	1.3
195.13858	3.6
197.13345	1.6
199.14886	2.7
201.16441	1.1
211.14931	0.9
213.16507	1.3
215.18002	0.8
223.14935	0.8
225.16505	1.1
239.17912	0.7
243.21327	0.9
256.26605	0.9
261.22192	2.0
280.43167	0.6
285.22192	0.6
297.22153	0.7
299.23746	0.7
311.23825	0.9
317.24771	1.1
325.25412	0.7
339.27036	0.7
409.34897	0.7
419.33322	2.1
437.34241	7.5
455.35165	2.4
473.36270	1.4
511.37830	4.0
529.38953	100.0
529.49927	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	529.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01885	0.4
55.05519	0.7
56.96556	0.9
57.03435	0.6
61.02924	0.4
62.21883	0.4
67.05496	1.7
69.03429	1.3
69.07063	1.2
69.95716	1.6
70.06602	0.4
79.05499	1.2
81.03401	0.9
81.07050	2.0
83.04983	0.5
83.08617	0.7
85.02921	2.2
85.03368	0.5
85.06548	0.5
87.00806	0.4
89.06042	0.7
91.03961	0.6
91.05453	1.8
93.07047	1.2
95.08613	0.7
97.02856	1.0
97.06541	0.4
98.97588	0.8
105.07024	0.9
107.04932	0.6
107.08598	0.6
109.02868	1.2
109.10155	1.2
119.08543	1.0
121.06466	0.5
121.10144	0.6
123.11714	0.4
127.03904	1.1
133.10107	0.7
135.11722	0.4
137.05960	1.0
145.10118	0.5
147.04427	0.6
253.04988	0.4
281.17456	0.8
367.11713	1.3
367.18042	1.3
499.32657	1.9
511.20102	0.5
529.33459	100.0
530.33490	0.5
543.51819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26455	3.1
53.03936	8.1
53.51911	3.0
55.01878	24.6
55.05517	27.7
56.96558	4.5
57.03429	11.9
57.07068	6.2
58.16079	3.0
59.05006	6.0
61.02925	29.2
65.03941	3.5
67.05167	4.8
67.05506	46.7
69.03426	22.8
69.07069	38.5
69.82986	15.8
71.04992	7.9
73.02911	10.0
79.05490	43.2
81.03414	19.9
81.07055	44.7
83.04968	7.1
83.08622	27.2
85.02909	42.4
85.06522	5.2
87.00806	7.7
87.04478	4.1
89.06039	9.3
91.03951	12.3
91.05477	37.1
93.07050	40.5
95.04944	3.7
95.08617	30.9
95.89954	3.3
97.02890	22.9
97.06538	28.8
97.10178	22.2
98.97597	8.1
99.04446	6.6
103.05513	3.4
105.01870	5.0
105.07017	36.7
107.04967	18.3
107.08601	39.0
107.57530	3.4
109.02867	14.4
109.06514	3.0
109.10180	17.0
111.08053	4.8
113.14477	2.7
117.07030	10.4
119.04956	5.3
119.08591	29.1
121.06499	10.4
121.10151	11.8
123.08006	4.5
123.11700	7.6
125.09606	19.6
127.03927	23.1
131.08589	19.3
133.08595	5.2
133.10152	20.4
135.08017	5.2
135.11714	8.7
137.05974	22.1
145.04932	7.8
145.10138	16.3
147.11642	15.4
149.09625	25.5
149.13251	4.3
151.11214	4.3
153.01831	4.3
155.08517	3.6
157.10240	2.9
159.11702	10.6
161.09592	4.2
161.13245	7.0
163.11183	11.6
164.07022	4.9
165.09081	4.4
169.10205	2.9
171.10162	11.4
171.11613	5.8
173.13283	8.0
177.12723	4.8
179.14384	4.1
183.11732	5.0
185.13188	3.3
187.11147	4.0
189.00934	2.7
189.11229	20.2
189.12697	3.7
227.12743	17.2
229.14282	3.9
239.17972	6.0
245.13834	12.8
253.17905	5.5
257.18994	8.8
271.05988	3.3
275.20059	53.4
290.51392	2.9
293.13342	4.9
293.21057	7.0
331.17728	3.7
343.14417	3.4
349.23746	100.0
367.24701	25.4
391.24554	4.8
444.19226	2.7
451.07587	8.2
511.28958	5.2
529.33228	32.2
548.67480	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	529.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	2.5
60.28594	0.9
70.06589	2.0
71.10979	1.0
71.11334	1.8
72.08152	0.9
84.08119	1.0
85.02910	1.6
86.09695	0.9
86.92295	0.9
91.05459	1.5
98.97596	4.1
103.05328	0.9
116.98611	1.0
119.04932	1.7
121.02847	2.0
121.06526	0.9
123.04418	1.0
128.98589	1.5
131.04897	1.0
137.05995	9.1
147.04376	1.2
149.05969	1.5
162.05481	2.2
164.07076	64.5
177.07826	1.6
178.08676	7.0
179.08556	1.9
189.01805	1.4
195.02966	1.6
203.03371	1.4
207.08093	1.7
211.07527	2.9
213.04361	1.2
219.01718	2.0
224.08398	1.7
235.07535	3.3
237.02800	1.8
237.09134	2.9
239.02232	2.7
239.10667	3.1
240.07733	0.9
252.07657	1.1
253.08682	1.2
257.03131	1.0
267.10178	9.6
269.11606	1.4
271.09641	2.2
283.05804	1.0
284.10352	1.3
285.11313	1.0
295.06036	14.4
295.09344	1.9
297.11127	1.8
299.12744	4.4
307.05969	2.5
321.07593	2.0
325.07114	7.4
335.09171	1.7
337.01987	0.9
349.07053	4.1
365.05423	13.6
379.08069	1.9
391.08017	2.9
409.09262	4.0
413.12650	2.6
414.14288	1.0
427.10281	10.2
428.15012	4.6
429.16180	1.0
444.14502	1.5
447.16760	1.3
460.17712	8.3
462.18936	3.1
491.21817	19.5
493.23370	100.0
494.23621	1.6
511.11798	1.6
529.12640	1.1
529.20447	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	528.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.2
56.96559	1.0
69.80904	4.6
70.06593	25.6
72.08157	15.6
81.03445	1.6
84.04519	4.4
84.08144	8.2
85.02885	2.9
86.09689	4.3
91.05450	2.6
98.20792	0.9
98.97531	1.3
101.07135	1.1
109.02905	1.4
115.05474	4.9
119.04935	1.6
119.72112	1.0
121.02888	1.2
123.04402	3.9
129.10211	3.3
137.05986	35.3
143.04930	17.9
151.07520	2.0
160.05138	1.3
161.05984	25.8
164.07071	71.9
167.07040	2.7
171.14899	2.8
175.07506	2.2
181.08464	1.3
187.95625	1.0
199.14484	2.0
207.08015	2.0
221.10661	1.2
231.09781	12.5
232.10158	1.2
253.08540	2.3
285.11163	10.4
295.06128	2.4
302.13876	100.0
427.10413	1.1
498.67673	1.0
528.11761	1.7
528.22772	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	528.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.3
57.07078	52.0
59.05005	18.7
63.32800	0.6
67.05504	2.3
69.07068	3.2
71.08634	100.0
71.73557	0.6
73.06565	1.7
79.05491	1.8
81.07063	2.3
83.08621	2.2
85.10187	52.6
87.04472	7.1
89.06036	89.6
91.05503	1.5
91.07596	0.6
93.07048	1.5
95.08604	1.5
97.10162	1.4
103.07581	4.6
105.06999	0.9
107.07099	1.1
107.08567	0.8
111.11745	0.8
117.09128	1.5
119.08590	1.0
127.14833	7.6
130.08659	2.1
131.07063	3.7
131.08597	0.7
133.08609	78.2
135.10226	0.7
141.16368	0.7
143.08543	0.8
145.10158	1.5
147.04158	0.6
151.03938	3.1
155.08482	0.7
167.17941	0.6
175.09654	3.0
177.11232	29.2
184.07358	0.7
185.19044	10.3
195.12296	1.2
219.12321	0.6
221.13843	9.0
229.21648	5.8
239.14961	3.4
253.91451	0.7
258.08292	0.6
265.16501	2.0
273.24161	1.1
283.17581	3.4
309.19089	3.0
327.20139	30.3
367.23361	5.4
371.22845	4.7
385.24084	2.7
510.35718	1.1
511.38412	11.3
528.39740	3.8
529.25232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	13.0
55.01869	12.0
55.05509	16.9
56.96570	6.8
57.03437	8.0
57.07071	7.9
61.02935	10.0
61.76479	1.4
65.03926	3.1
67.05176	2.0
67.05508	29.1
68.99792	7.1
69.03435	55.2
69.07073	30.4
69.22202	3.8
69.22604	15.6
70.17804	1.6
71.01329	3.1
71.04999	10.8
71.08614	4.4
73.02928	8.5
76.62954	1.4
78.79955	1.6
79.05496	12.3
81.03421	63.3
81.07061	69.7
83.01347	1.7
83.04993	13.5
83.08615	19.0
85.02908	100.0
85.06533	6.2
87.00831	38.0
87.04436	1.6
91.03947	2.4
91.05482	9.8
93.03419	2.9
93.07041	16.0
95.04996	10.6
95.08615	64.6
97.02898	34.7
97.06474	2.0
97.10183	20.2
98.97587	5.8
99.04451	20.8
99.08072	2.0
103.03919	3.1
105.01875	32.1
105.07039	9.0
107.04956	4.0
107.08602	19.3
109.02889	58.3
109.06519	3.2
109.10159	36.9
110.97579	1.9
111.04450	28.9
111.11732	9.7
115.03938	3.1
117.01861	4.5
117.07000	2.2
118.18720	1.6
119.08581	10.5
121.06512	1.5
121.10145	13.0
122.52475	1.5
123.04417	2.2
123.08039	2.1
123.11736	13.4
125.09624	2.2
125.56601	2.0
127.03922	91.9
128.98625	3.2
129.01831	6.8
129.06953	1.6
131.08556	5.2
133.10107	3.8
135.08054	2.3
135.11708	13.7
137.13271	9.3
143.08623	2.3
145.03902	2.6
145.04965	31.8
145.10124	6.5
147.02931	4.5
147.08075	1.9
147.11691	6.0
149.13275	11.8
151.14810	5.2
157.10176	2.8
159.02901	19.6
159.11694	4.7
161.09625	2.2
161.13249	2.2
163.11168	4.3
163.14813	3.3
165.16431	4.3
169.10213	1.8
171.11720	2.4
173.09622	3.1
173.13315	3.2
177.16377	2.5
179.18007	2.6
181.12254	1.9
183.11627	1.6
189.04027	2.5
193.12422	1.8
199.14949	2.2
205.19650	1.8
213.03893	5.9
215.05391	2.9
219.01772	3.9
231.05028	19.7
233.06662	1.8
237.02776	2.3
259.24344	2.1
261.11667	1.8
261.25726	5.3
265.14233	2.5
269.14291	3.0
269.17892	2.2
271.15796	10.8
275.17764	1.6
277.25244	8.9
279.12585	1.7
279.26859	19.2
283.15778	6.3
287.15317	2.6
289.16925	2.0
291.26965	3.0
301.16983	2.3
303.26819	6.1
315.26804	1.9
321.27863	2.0
333.27942	1.7
347.22574	2.4
349.20392	2.5
351.26590	2.6
365.23584	5.2
369.27802	17.2
383.24771	2.3
387.28867	5.8
405.29895	2.7
473.28940	4.0
483.26218	2.3
491.29874	6.9
509.30853	6.5
527.28851	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	527.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
55.57026	0.7
57.03429	2.3
57.07076	100.0
58.04215	4.4
59.05002	35.2
67.05511	2.8
69.07076	4.0
71.04988	1.2
71.08633	77.3
72.05774	4.5
73.02917	3.5
73.05298	0.9
73.06554	2.1
79.05455	0.9
81.07043	2.1
83.08620	3.6
85.10183	68.1
86.07323	2.3
87.04472	5.8
87.08111	1.7
88.05250	1.6
89.06033	9.6
90.01922	20.5
91.05465	1.1
95.08613	1.3
97.10171	2.7
98.07320	0.9
99.11731	12.9
100.08868	1.4
101.06017	1.6
101.09653	3.4
103.07594	1.8
109.10143	1.4
111.11712	1.1
112.81901	0.7
113.13285	3.5
115.07567	1.3
116.08340	0.9
117.09127	9.2
119.08541	0.8
122.93839	0.7
133.08600	4.5
133.10124	0.9
141.16393	1.8
152.15579	2.0
155.17934	8.6
159.11684	0.8
165.11234	1.6
178.07074	2.1
183.17406	2.6
193.14375	1.1
199.20616	1.9
212.21452	2.6
213.22145	14.1
222.09746	7.4
223.15456	1.5
236.11394	1.0
240.10780	4.3
257.24713	2.3
270.25769	1.0
271.26279	10.2
280.14032	1.2
298.15018	2.5
327.20065	1.6
328.20432	1.3
376.34186	4.1
527.38239	5.0
544.93945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
61.06469	0.3
62.41395	0.3
67.05521	0.5
69.07075	0.6
69.53420	2.0
71.05002	0.5
79.05498	0.5
81.03417	0.5
81.07073	1.8
85.02914	1.0
87.00845	0.3
89.06100	0.3
91.05483	0.7
93.07034	0.9
95.08632	0.7
97.02892	0.3
105.07059	0.5
107.08589	0.9
109.02890	0.5
109.10170	0.5
118.44052	0.3
119.08570	0.3
127.03944	0.5
128.46982	0.3
137.05966	0.5
160.77907	0.3
185.04221	0.4
203.05319	0.8
227.05383	0.5
243.04820	0.5
245.06375	4.3
261.18481	1.5
279.19345	3.7
287.03897	0.3
289.05331	6.3
298.04892	0.3
321.19290	0.6
423.23340	0.8
441.24634	7.0
463.75748	0.3
465.24878	1.2
483.25696	24.4
509.23581	1.0
527.24677	100.0
528.25000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
55.05495	0.6
59.88207	0.6
63.32764	0.4
65.67817	0.5
67.05489	1.9
69.03431	0.7
69.07064	1.3
69.19439	2.3
69.19862	3.7
71.04964	0.8
78.52269	0.5
79.05502	1.2
81.03413	2.1
81.07044	4.6
82.07418	0.9
85.02906	1.4
90.92678	0.6
91.05467	4.7
92.05830	1.0
93.07042	1.4
95.08617	1.4
97.02887	0.9
98.21542	1.3
105.07031	1.6
106.07379	0.7
107.08598	1.2
107.85230	0.7
109.02905	0.8
110.09695	0.8
119.04908	1.5
119.08593	1.2
120.05296	0.9
120.08135	0.9
121.10137	1.3
122.06041	0.6
127.03943	0.7
127.33572	0.6
137.05981	17.5
137.13319	0.6
138.06313	6.8
147.11690	2.1
148.12050	1.1
154.08662	5.9
155.08975	2.8
166.08781	0.7
166.13066	0.8
203.05264	1.6
227.05220	0.6
229.03052	0.7
229.14226	1.0
229.87938	0.6
243.04787	2.6
243.46016	0.7
245.06374	3.1
261.17722	0.7
263.19867	1.9
271.04245	0.6
272.03589	0.6
279.08292	0.5
279.19373	6.6
287.01257	0.5
287.03745	20.6
289.05304	33.7
301.23141	0.5
321.19083	1.7
362.14288	1.1
433.41632	0.7
441.24448	1.9
483.25693	10.7
509.25073	1.0
527.24695	100.0
528.24902	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.9
59.85020	0.4
67.02711	0.4
69.03417	0.6
70.06587	1.3
71.05032	0.4
71.56669	0.5
81.03428	0.5
84.04483	0.4
84.08134	1.2
85.02917	0.5
91.05489	0.7
93.07048	0.4
95.08656	0.4
97.02870	0.5
98.97640	1.0
109.02890	0.6
120.09805	0.4
121.02902	0.6
133.06488	0.4
135.04373	0.7
137.02350	1.0
137.05989	0.9
147.04448	0.6
164.06982	0.5
167.07062	0.5
178.81097	0.4
195.02914	0.5
203.03394	1.6
223.12234	0.5
229.02765	0.5
255.06592	0.7
273.07962	0.5
277.09589	0.5
280.04318	0.6
311.05426	5.2
323.05566	0.9
337.07050	2.1
341.06570	0.6
365.06549	3.4
377.06378	1.1
395.07455	0.9
407.07578	1.4
425.08615	1.6
443.09735	4.7
491.09387	0.8
509.10779	1.3
527.21002	100.0
528.21149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03040	0.6
53.03946	1.6
55.01872	1.1
55.05512	2.0
57.03443	1.1
57.07070	1.2
58.99579	1.7
61.02924	1.5
67.05509	4.0
69.03432	3.6
69.07075	4.1
69.32647	3.9
69.33065	1.7
70.06597	1.3
71.04993	0.9
73.02934	1.2
73.35197	0.6
79.05511	2.5
81.03413	3.3
81.07065	6.6
83.08630	1.5
85.02915	3.8
85.06573	1.1
87.00848	1.2
89.06081	0.7
91.05507	2.8
93.07050	3.8
95.04981	1.5
95.08624	4.3
97.02917	2.8
97.06562	1.4
97.10187	0.8
98.97650	1.2
99.04454	1.2
99.08154	1.1
101.04258	0.9
105.07069	2.4
107.08616	2.2
108.08170	0.7
109.02922	3.2
109.06506	0.9
109.10171	2.3
109.15303	0.7
111.04507	0.9
119.04974	0.9
119.08612	2.4
121.06546	0.8
121.10162	1.8
122.06818	0.9
123.11742	1.1
126.05570	2.8
127.03911	3.6
127.05769	1.8
131.08615	1.5
133.06537	0.8
133.10158	1.2
135.08087	0.9
135.11754	1.5
137.06049	2.3
143.08681	0.9
144.06590	2.0
145.05051	0.6
145.06496	1.1
147.04532	0.9
147.11816	1.0
149.06013	1.8
149.13269	1.0
150.06670	0.8
154.08936	0.7
158.02779	2.5
159.02966	1.0
159.11736	0.9
163.07658	0.8
165.09270	0.9
175.81058	0.8
177.05615	1.2
178.08691	1.6
190.06499	0.7
193.08713	2.3
194.09053	1.7
203.05388	1.3
207.83072	0.8
208.09775	1.3
209.08177	1.4
210.08522	0.9
219.01663	0.8
221.08203	3.0
231.05060	0.9
234.05699	0.7
245.06395	3.3
261.18433	2.3
273.18549	0.9
279.19336	4.2
288.77219	0.7
289.05344	4.6
303.18210	1.3
321.19263	4.0
333.18939	0.8
363.20306	1.0
365.23447	1.0
423.23477	1.4
441.24860	6.6
465.24893	2.1
483.18954	1.5
483.25720	25.3
509.23642	2.2
527.24896	100.0
528.25067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.9
57.03417	1.2
57.07078	100.0
59.05005	23.2
63.42849	0.8
64.57881	0.8
69.07072	1.2
70.14488	2.0
70.14892	1.1
71.08634	73.6
83.08621	2.0
85.10184	58.7
87.04455	3.0
89.06035	40.0
97.10165	1.5
99.11733	14.9
101.09664	3.1
103.07580	2.6
109.83161	0.9
113.13275	5.8
117.09145	6.0
130.60901	0.8
133.08615	37.3
146.70599	0.8
147.10159	1.4
151.09598	1.1
155.17957	11.8
175.09615	1.1
177.11241	8.1
191.12769	1.9
213.22137	24.3
221.13858	5.3
226.57654	1.0
239.14911	16.5
271.26328	13.4
279.18027	4.6
295.33102	0.8
297.19095	8.7
327.20084	4.7
337.22266	3.0
371.10480	0.9
460.49097	0.8
461.93896	0.9
509.40442	4.5
526.42828	1.8
528.96912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68410	1.0
55.05510	3.4
57.07078	95.2
59.05000	20.1
69.07054	2.6
69.39145	10.3
71.08634	100.0
73.02921	74.6
81.07061	1.2
83.08617	3.5
85.10187	89.6
87.04451	3.5
89.06033	40.8
97.10193	2.0
99.11745	9.8
101.06016	1.3
103.03919	1.6
103.07581	5.8
104.10738	2.9
104.65132	1.4
117.05495	4.0
117.09103	2.4
125.13285	1.4
127.14913	2.0
130.08618	1.6
131.07011	1.4
133.08606	33.3
141.12575	1.3
141.16348	9.3
161.08147	2.6
175.09688	1.4
177.11234	16.6
184.07333	1.9
185.19040	1.6
195.12241	2.3
199.20602	15.7
205.10712	15.1
221.13855	1.7
239.14839	3.2
243.23215	5.3
245.03069	1.2
249.13303	2.4
251.80241	1.2
271.26324	1.6
283.17487	21.2
293.15906	1.8
311.17072	8.1
323.20584	2.8
327.20117	9.2
341.21915	1.9
415.79227	1.5
481.37271	4.1
509.40363	5.1
526.39575	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	526.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05266	1.0
55.05515	14.6
56.40725	1.0
57.03439	11.7
57.07082	10.9
58.07420	1.2
59.05003	7.4
63.74360	0.9
65.03953	1.9
67.05508	100.0
69.07070	17.0
69.82392	1.0
71.04989	3.4
71.08640	5.7
74.26071	1.0
79.05496	9.4
81.06577	2.2
81.07060	42.0
83.04996	1.2
83.08622	13.9
85.06552	3.1
85.10177	3.1
86.10555	1.2
89.06031	17.3
91.05498	10.7
93.07046	10.2
95.04977	1.0
95.08614	26.2
97.06554	1.8
97.10164	3.1
99.08103	2.0
105.07027	3.3
107.08601	7.2
109.10160	77.5
111.08078	4.7
111.11741	1.3
117.09111	1.4
119.08585	9.0
121.10158	5.8
123.11707	4.7
125.71597	0.9
133.08614	14.4
133.10161	3.1
135.11690	3.3
137.09650	3.4
137.13281	2.1
147.11684	3.6
149.13286	2.1
155.10649	6.3
161.13240	2.0
163.14775	2.3
173.11763	18.3
175.14819	1.3
177.11237	4.5
206.88400	1.0
217.21614	1.0
227.12878	1.5
229.14365	91.8
245.22662	3.0
263.23642	5.8
327.20160	12.7
337.27377	96.9
491.37341	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.05516	3.0
57.03417	0.7
58.66579	0.5
59.04985	0.5
60.62362	0.5
65.03920	0.6
67.05507	17.0
69.03428	0.8
69.07061	2.1
70.68051	1.5
70.87952	0.5
71.75339	0.5
74.34862	0.4
79.05501	16.1
81.03413	4.4
81.07067	9.8
83.08600	0.7
83.72184	0.5
91.05475	5.0
93.07056	5.3
95.04983	0.8
95.08613	25.7
105.07052	4.7
107.08600	18.3
109.06538	1.1
109.10164	9.5
116.46816	0.6
119.04915	0.9
119.08586	4.8
121.10139	1.0
123.08060	4.1
133.10159	2.7
135.11736	0.9
137.05991	4.4
149.13264	6.0
151.14836	3.1
161.13258	5.2
162.12773	1.5
170.68625	0.6
172.61488	0.5
175.07507	0.8
179.14307	1.2
191.08601	0.5
195.08099	0.8
197.19221	0.6
207.07973	0.6
209.09656	0.9
209.26686	0.6
210.10446	1.3
211.07555	1.3
214.44783	0.6
222.10431	0.8
223.07527	1.4
225.09210	0.9
226.09940	1.3
235.07587	1.0
236.08347	0.6
237.09119	2.6
238.09824	3.8
239.10712	1.2
241.08594	1.8
241.12256	2.0
243.70964	0.5
249.09193	0.6
250.09964	2.3
251.06929	0.7
251.10684	1.3
253.08559	1.0
253.12216	1.4
254.09381	3.0
255.10176	4.4
257.08221	0.8
264.07932	0.7
265.08673	1.5
266.09335	0.7
267.10165	3.9
268.10895	0.9
269.08295	1.5
269.11707	12.6
270.12524	9.1
271.09601	2.7
272.10385	2.0
279.10156	3.1
280.10971	3.2
281.08609	0.9
281.11728	6.5
282.12418	5.3
283.09656	1.0
284.10349	3.0
286.12009	3.1
296.10355	2.6
298.11996	3.0
298.18091	2.1
300.12271	1.1
301.14371	1.4
311.12820	2.4
313.14368	2.2
315.14664	4.3
328.15585	3.0
328.19122	0.6
330.17017	71.9
410.23242	8.6
428.28009	1.5
502.62912	0.6
508.30798	5.9
526.31598	100.0
527.31854	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01875	0.7
55.05497	1.4
57.03434	0.8
57.07062	0.4
58.06583	0.5
60.08403	0.4
62.56760	0.3
63.30423	0.3
65.03941	0.8
65.36141	0.3
67.05504	4.7
69.03440	2.7
69.07074	2.4
70.06564	0.6
70.65907	0.9
71.04964	0.5
73.69087	0.3
79.05482	2.5
81.03423	8.7
81.07062	14.8
83.04981	0.9
83.08619	1.1
85.02907	1.5
85.06535	1.2
91.05485	21.0
93.07053	2.2
95.04980	0.5
95.08601	3.2
97.02892	1.9
97.06536	1.3
98.20811	0.4
99.04455	1.0
99.08096	0.4
104.05909	0.3
105.07041	7.3
107.04967	0.4
107.08592	2.7
109.02877	4.0
109.06541	1.7
109.10191	0.5
110.09662	0.4
119.04949	10.1
119.08590	5.9
120.08087	0.3
121.10152	4.7
122.06018	3.5
123.04433	1.1
123.08058	0.7
123.11714	5.0
127.03923	3.2
127.07527	0.8
133.10141	0.5
137.05981	100.0
137.13229	0.6
138.09187	0.6
147.10497	0.5
147.11691	14.4
154.08632	30.2
161.05913	0.4
164.07083	0.7
165.12767	5.1
166.08691	0.9
178.08614	0.9
179.06972	0.3
183.13808	1.1
193.12254	0.7
196.09705	1.1
229.14366	3.6
244.09732	1.7
337.16406	0.6
347.18472	0.6
355.17514	2.0
361.13992	1.0
425.88049	0.4
430.94858	0.4
435.21533	0.4
472.23358	1.0
490.24164	1.8
493.16733	0.4
508.25674	3.3
526.26587	41.5
527.25446	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2438
Annotation	Phenochalasin B
Peak:m/z	Relative Intensity
65.03936	1.1
69.21503	8.3
70.06616	0.8
72.89890	0.7
84.08157	1.4
91.05486	5.5
93.03404	0.9
95.89414	0.8
107.04953	2.5
108.05797	0.9
115.05452	9.8
117.03347	1.1
117.07009	0.8
119.04939	5.7
121.06535	0.9
133.02869	2.0
135.04399	1.1
135.06866	1.0
136.05217	3.2
137.05983	13.5
139.07587	1.2
142.12263	1.5
143.04929	32.6
145.02824	2.3
145.06422	0.9
147.04454	4.6
150.06778	1.7
151.07549	46.9
158.07254	1.5
160.05225	3.5
161.05998	3.0
162.09161	0.9
163.06288	22.8
165.09116	4.1
170.11871	1.7
173.24847	0.8
174.06813	1.7
175.07568	19.7
176.07106	1.2
177.05527	3.4
177.07858	1.0
178.08643	100.0
179.07100	1.4
188.12865	4.6
189.07133	0.9
189.09152	2.5
195.08109	1.0
199.07506	3.8
204.10229	1.0
207.08069	1.9
208.08885	0.9
219.08073	1.3
221.09680	0.9
233.05934	1.0
235.07466	1.2
236.08366	2.2
239.10698	2.0
247.07506	1.0
248.08449	1.4
250.10011	1.9
251.10750	3.2
253.12213	1.2
265.08527	1.2
265.10999	2.1
267.10245	3.4
268.10870	1.2
268.13443	1.4
279.10236	5.7
280.11032	1.0
281.11789	1.7
282.12653	1.2
283.09460	1.0
289.08572	1.0
296.13010	0.9
297.11090	1.2
299.12860	4.0
311.12729	2.4
313.14349	7.4
314.56302	0.8
323.12552	1.7
326.13831	2.1
328.15439	1.1
330.16965	1.2
336.13605	1.1
337.14365	6.9
356.14841	4.6
367.15604	0.8
374.16000	87.3
375.16272	1.0
376.08847	1.1
478.22244	3.9
486.29575	1.0
491.21069	2.0
508.23395	3.6
526.24377	71.1
527.24695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42258	0.5
53.39556	0.5
55.01873	0.6
58.06593	1.5
63.22609	0.6
65.03918	0.8
69.93830	0.8
69.94227	1.7
70.06580	2.2
70.65112	0.5
79.05495	0.8
84.08148	0.7
85.02892	0.8
86.09714	0.9
91.05488	7.5
95.05001	1.2
103.05468	1.2
105.07035	1.1
107.04967	3.5
108.05785	0.8
115.05457	10.4
119.04932	6.3
121.06496	1.4
122.03673	0.8
124.05193	1.2
124.96658	0.6
131.04935	0.9
133.02861	1.8
133.06541	1.0
135.04422	2.0
135.06760	0.7
136.05229	3.0
137.05989	16.4
143.04929	31.7
144.05612	0.7
145.06522	0.9
146.06009	1.1
147.04428	6.1
149.05972	0.9
150.06767	1.5
150.09142	0.8
151.07553	45.3
158.07295	0.8
159.04321	0.6
160.05214	4.4
160.07492	0.7
161.05971	3.7
161.08401	1.1
163.04909	1.2
163.06294	23.3
163.07468	1.0
165.07005	1.1
165.09116	3.7
167.06949	0.9
171.07988	0.9
174.06769	0.9
175.06042	1.1
175.07556	20.1
176.07152	0.8
177.05431	0.9
177.07834	1.9
178.08641	100.0
179.07037	1.4
179.08575	1.2
181.06499	1.0
189.09151	2.3
190.08682	1.2
192.10252	6.9
193.06360	0.7
195.07945	0.7
199.07468	3.5
207.08090	1.9
208.08733	0.6
210.06755	0.8
211.07538	0.9
219.08154	0.9
221.06018	0.8
221.09645	0.9
222.10368	1.3
223.07538	1.2
224.08392	0.8
225.09096	1.9
235.07637	2.9
236.08363	1.5
237.09125	1.8
239.10747	3.1
247.07608	1.2
248.08397	1.7
250.09773	1.6
251.10738	2.3
252.07832	0.9
253.08600	1.9
253.12376	0.8
253.52666	0.7
254.09531	0.8
255.10336	1.1
264.07813	1.0
265.08499	1.3
265.10977	0.8
266.09344	0.7
267.10132	5.2
268.10934	1.4
268.13419	1.3
269.08066	0.7
271.05988	1.3
272.06638	0.8
279.10159	6.7
280.10834	1.0
281.11707	2.9
282.12332	1.2
283.09576	0.9
283.13040	0.7
285.11209	1.3
287.05310	0.8
296.10062	1.0
296.12921	1.6
297.10992	0.7
298.11246	0.8
299.05560	4.3
299.12814	4.1
300.15799	0.8
305.11566	0.7
309.11096	1.2
311.05463	1.6
311.12759	2.3
313.07138	0.6
313.14340	5.5
322.11932	1.1
323.12729	1.3
325.07123	1.0
326.13849	2.8
328.15488	6.7
329.06418	6.2
329.16098	0.8
330.16980	2.7
336.13623	0.9
337.07156	0.9
337.14307	5.7
353.06644	2.5
353.13641	1.2
356.14819	4.6
357.02686	0.8
364.14835	0.8
367.15460	0.8
369.02875	1.0
371.04401	0.9
374.16006	80.0
381.02960	1.3
387.03824	1.2
395.07996	0.8
399.04019	0.9
413.08884	1.2
415.03424	1.3
417.04175	1.1
423.04004	0.9
430.06219	0.7
431.09760	1.0
441.05396	1.1
449.10818	1.5
461.20175	1.3
471.05829	0.9
473.19366	1.0
478.22311	3.9
483.05560	0.7
490.22046	0.6
491.20547	2.1
508.23560	5.8
509.21378	1.0
526.24408	91.5
527.16907	0.6
527.25006	0.7
543.08636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.05521	1.6
57.07063	1.2
67.05501	4.4
69.03436	1.0
69.07074	6.4
69.61953	3.5
69.62366	1.5
70.06593	2.4
72.33291	0.9
79.05482	2.1
81.03416	1.4
81.07064	11.5
82.07395	2.9
83.08611	1.8
85.02903	2.9
85.06532	2.4
88.41331	0.8
91.05475	2.4
93.07034	3.5
94.06586	6.8
94.07079	1.1
95.04974	1.6
95.08614	8.6
96.08952	2.4
97.02881	1.4
97.10158	1.5
98.21454	1.8
99.08097	3.4
105.07018	2.5
107.04964	1.0
107.08627	5.1
108.08121	1.6
108.08874	1.6
109.10164	6.4
110.06010	1.4
110.10468	1.8
111.08094	0.9
111.11697	0.9
120.04457	1.4
120.08123	1.6
121.10141	3.7
122.06039	9.5
122.10527	1.5
123.11695	2.7
124.07592	2.9
124.12009	1.5
127.03860	1.2
131.75136	0.9
134.05959	1.0
135.11705	1.2
136.07556	1.8
136.12065	0.9
137.05988	2.4
137.13211	0.9
138.05522	2.0
138.09116	1.0
140.06116	1.3
140.07086	15.5
143.40425	0.8
144.04405	2.6
146.06041	5.9
147.11674	1.5
149.13254	3.5
150.05539	0.8
150.13591	2.0
152.07048	1.8
161.13301	1.0
162.05536	1.5
163.14778	3.3
166.04933	1.2
166.08653	1.9
172.03964	10.7
174.05496	4.8
190.05008	8.8
191.05873	1.1
191.76894	1.0
204.06572	11.1
206.08151	3.4
209.10704	2.1
210.09361	1.2
211.12262	1.2
212.09351	2.0
221.06752	0.9
222.07858	1.4
222.11728	1.1
223.12318	2.9
224.09399	0.9
225.10310	6.7
235.08794	5.3
235.12395	1.2
236.09467	6.7
237.08023	1.7
237.10252	21.1
238.10991	1.9
239.11749	3.2
241.09990	1.1
249.10225	4.8
250.11005	3.4
251.08736	1.4
251.11816	23.6
252.08997	5.1
252.12602	1.5
253.09712	6.4
253.13290	1.6
254.10474	1.2
255.11273	3.6
261.12433	1.9
263.11880	1.0
264.08841	2.0
265.09741	29.2
266.10410	4.3
267.11288	18.4
269.12909	1.1
271.05893	0.9
273.25790	2.2
274.26190	1.2
275.56076	1.2
278.06607	4.0
278.10489	1.9
279.11255	28.8
280.12012	2.9
281.12830	3.9
283.10715	3.0
285.12375	4.4
287.13873	1.1
291.26813	3.8
292.08170	1.5
292.27127	3.8
293.09235	26.8
294.10016	4.1
295.10788	19.3
297.12311	9.1
307.10764	7.2
309.12350	5.6
309.27887	2.4
310.28119	2.4
311.10284	2.2
312.11005	2.6
313.11810	19.0
324.11200	1.9
325.11859	41.1
326.12350	1.7
327.13495	1.1
329.11563	1.2
329.90274	1.0
331.12851	2.2
335.10281	24.5
337.11942	1.5
343.12735	1.2
345.14456	6.6
353.11325	100.0
354.11810	2.8
354.25690	0.9
355.12766	2.1
371.12369	1.3
385.13928	16.5
386.14679	1.4
387.15942	1.5
450.20166	2.1
452.17871	1.9
453.18915	1.5
466.19803	4.7
476.18091	3.6
494.19281	91.8
495.19034	1.0
508.22961	1.1
526.22626	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	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
53.16793	1.6
55.01863	3.0
55.05514	12.0
55.54728	1.8
57.03432	1.9
57.07064	7.1
59.08102	1.6
67.05513	29.8
69.03431	4.2
69.06721	2.1
69.07072	29.8
69.87856	6.0
69.88269	2.8
74.85461	1.7
79.05498	16.0
81.03413	3.6
81.07059	100.0
83.08628	13.1
85.02499	2.0
85.02916	22.6
85.06541	23.7
88.02048	2.2
91.05466	7.5
93.07045	31.1
95.08611	87.0
97.02885	5.1
97.10181	9.4
99.07590	2.1
99.08109	26.3
101.38277	1.7
104.01686	2.6
105.07046	11.3
106.61149	1.8
107.08593	33.0
109.02866	3.7
109.10165	64.3
111.08060	4.9
111.11717	8.3
113.09670	10.6
116.01653	2.7
119.08604	11.5
121.10157	26.3
123.11710	30.7
125.09619	3.6
127.03944	2.6
127.11178	6.6
133.10117	6.3
135.11691	24.5
137.06001	2.6
137.13268	18.3
141.12735	2.3
142.06853	2.4
144.26474	1.5
144.92314	1.7
145.04909	3.5
147.11685	8.6
149.13266	38.9
151.14813	3.8
153.12694	1.9
158.02739	4.0
159.02367	1.6
161.13319	7.8
163.14841	32.3
165.16359	3.8
166.27936	1.7
167.14330	1.7
175.14766	4.4
177.16417	13.1
179.17998	2.8
181.15831	5.2
189.16402	2.4
191.17987	10.4
195.17549	1.7
197.18964	2.8
199.09035	2.3
203.17917	5.8
205.19508	2.4
209.19031	3.0
211.01720	1.9
211.20522	2.9
217.19568	11.5
221.19034	2.1
223.20605	3.4
231.20975	2.3
235.20566	6.1
241.10162	3.5
247.24222	3.9
265.25232	3.7
273.25790	20.8
279.26767	5.0
291.26840	65.2
309.27896	28.2
327.28867	9.8
385.14209	5.0
388.48471	2.2
399.29074	1.8
403.15134	3.6
525.12476	2.0
525.21802	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	525.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
55.01865	5.9
55.05516	9.7
57.03428	6.2
57.07074	8.8
58.62119	1.5
61.02925	2.8
65.03929	4.0
67.05170	2.0
67.05506	18.0
68.99770	3.4
69.03431	26.9
69.07056	8.9
70.75209	2.4
70.75557	2.8
71.04993	3.9
73.02895	4.0
75.04456	2.4
79.05489	14.6
81.03424	23.0
81.06629	2.4
81.07066	20.7
83.04979	5.5
83.08637	3.6
84.08101	1.8
85.02907	28.6
85.06549	65.8
87.00828	10.1
91.05478	20.9
92.05833	2.5
93.03447	3.2
93.07047	12.9
93.51325	1.6
94.07397	2.0
95.04964	7.2
95.08617	20.0
95.09180	2.8
97.02917	10.8
97.06516	2.8
98.97579	7.7
99.04441	7.1
99.08099	72.8
103.05486	14.2
104.05807	3.8
105.01865	6.9
105.04492	1.8
105.07034	32.2
106.04192	8.3
106.07383	7.8
107.04995	3.4
107.08615	14.0
109.02896	22.4
109.06507	9.9
109.10166	12.1
109.74475	1.7
110.97548	2.2
111.08064	2.9
112.99110	2.3
117.07015	2.6
118.04162	19.6
119.04478	6.9
119.08580	20.8
121.06513	17.9
121.10153	28.6
122.06828	5.3
122.27191	2.0
123.04475	2.0
123.08051	5.4
123.11694	6.9
124.05251	10.1
125.05961	6.2
125.09632	18.6
127.03928	21.6
129.06992	3.2
131.00194	1.7
131.04887	3.8
131.08556	4.1
133.06509	26.2
133.10159	17.6
133.48578	1.7
134.06763	9.6
135.07997	2.7
135.11713	2.8
137.05957	9.5
137.09610	2.9
137.13234	1.9
138.06282	2.0
139.11143	6.5
142.07687	1.7
143.08572	4.3
145.04956	7.5
145.10165	8.8
147.11711	27.8
149.05995	17.9
149.13258	2.7
150.06479	13.2
151.07210	5.1
151.11182	3.0
153.09050	3.9
154.09422	3.9
156.09378	2.0
157.10152	7.7
158.99675	2.4
159.02888	7.5
159.11691	8.1
161.05968	4.6
161.09637	2.9
161.13260	7.2
163.03947	2.5
164.04330	2.1
165.09108	16.1
165.12738	16.1
166.09439	5.5
167.07071	4.6
170.10912	2.2
171.11671	9.3
173.01149	1.7
173.13242	3.2
175.11160	5.4
175.14839	5.1
177.05522	14.7
178.05852	8.0
179.14314	11.0
181.08646	8.0
182.08981	4.2
185.13258	10.1
187.14795	1.7
189.12764	2.4
191.07069	4.9
192.07509	3.6
193.08618	80.0
194.08960	57.3
195.06561	1.9
199.14920	9.5
199.58296	1.9
201.16385	14.1
203.14311	5.5
203.17807	1.9
209.08095	60.6
210.08411	39.9
217.15898	2.6
223.04277	4.5
224.04544	5.2
231.04999	3.6
238.62143	1.7
241.19559	8.4
259.20590	100.0
271.20401	1.9
273.25644	1.9
277.21564	10.9
291.26828	2.8
311.76828	1.6
457.21069	2.4
525.27380	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	525.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48418	1.2
53.03946	6.7
54.40375	1.0
55.01877	6.8
55.05510	8.3
56.96555	1.9
57.03430	4.4
57.07077	6.3
57.15478	1.3
61.02927	2.6
67.05503	21.8
68.99789	2.1
69.03433	26.7
69.07069	7.7
70.74738	2.1
70.75065	2.4
71.04977	2.2
73.02906	4.8
79.05492	12.6
80.05830	1.6
81.03421	21.0
81.07056	16.3
83.04969	6.6
83.08617	3.4
85.02420	2.3
85.02909	28.2
85.06548	74.1
86.09664	1.3
87.00836	10.8
89.03883	1.4
91.05473	12.5
92.05791	1.9
93.03410	3.6
93.07064	12.1
93.67542	1.1
94.03721	1.8
95.04963	5.9
95.08614	20.2
97.02895	10.2
97.06531	2.6
98.97591	4.5
99.04462	6.6
99.08100	82.9
103.05464	8.8
104.05817	2.4
105.01852	5.8
105.07039	35.3
106.04194	7.5
106.07370	3.5
107.04391	1.4
107.05015	2.6
107.08603	13.2
109.02875	19.7
109.06564	10.3
109.10161	9.8
111.04343	1.3
111.08085	2.4
115.05428	1.6
117.01842	2.7
117.07063	2.7
118.04179	14.3
119.04530	4.9
119.08588	22.6
121.06533	11.2
121.10154	27.1
122.06864	3.7
123.04493	1.5
123.08055	6.7
123.11691	5.9
124.05212	4.9
125.05999	3.9
125.09631	13.6
127.03922	23.6
129.01848	1.4
129.07079	1.4
130.07753	1.7
131.04977	3.0
131.08569	5.1
132.05728	1.3
133.06502	17.7
133.10138	13.3
134.06767	8.6
135.04382	2.3
135.08110	6.5
135.11690	5.3
137.05969	5.0
137.09579	5.2
139.11172	5.9
143.08566	5.3
145.04984	5.9
145.10194	8.1
147.04317	1.3
147.08083	1.8
147.11696	24.8
149.05997	13.9
149.09644	1.5
150.06482	8.2
151.07361	4.7
151.11197	3.8
153.09100	3.5
156.09328	1.5
157.10133	7.4
158.99512	1.5
159.02908	8.1
159.11696	7.2
161.05983	3.7
161.09650	3.9
161.13249	5.6
162.06407	1.9
163.07619	1.3
165.09128	12.1
165.12762	15.1
166.09425	5.5
167.07050	4.5
169.10162	1.3
171.11682	8.0
173.13293	5.1
175.11206	3.5
175.14838	5.7
177.05487	10.3
177.12805	2.0
178.05908	6.9
179.14288	11.9
181.08618	7.9
182.08984	2.8
185.13245	10.1
187.14876	1.6
189.12730	2.2
190.13469	1.6
191.07088	3.1
191.14307	1.4
192.07472	3.6
193.08611	62.5
194.08951	41.9
199.14879	8.2
201.16409	13.2
203.14287	6.0
209.08107	49.1
210.08453	34.0
213.49419	1.3
217.15979	2.6
223.04239	4.0
224.04567	4.3
231.04948	4.1
241.19476	6.1
259.20584	100.0
261.22040	1.6
277.21597	9.0
291.26938	2.6
347.25580	1.4
383.20779	1.2
386.16815	1.5
439.19824	2.1
525.27344	29.5
547.39813	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1548
Annotation	Pityriarubin B
Peak:m/z	Relative Intensity
50.47132	1.1
56.96548	1.6
59.04997	1.1
67.05508	1.3
79.05466	1.3
81.07068	2.3
91.05502	1.3
91.71481	1.2
95.04948	1.2
107.08575	1.0
109.10165	1.1
112.76664	0.9
131.88927	1.1
135.04437	1.6
138.42969	1.1
151.03893	1.6
169.10020	1.3
171.08064	3.0
183.04445	4.3
184.05249	6.7
198.06718	6.6
199.07597	1.3
211.03903	4.0
211.07422	1.2
212.04707	26.5
226.06261	41.3
227.07047	61.8
241.04851	4.1
241.08612	60.8
254.05736	2.2
255.06549	98.9
256.07074	2.6
267.06543	2.2
269.08115	100.0
270.08887	8.9
278.27451	1.5
281.08151	1.7
317.07486	1.2
330.08682	1.3
358.08173	1.6
359.09164	2.1
369.07538	1.7
385.10742	1.4
387.08652	11.0
401.10153	7.1
402.11002	12.7
416.12524	3.8
417.09909	1.1
525.15424	29.1
525.35907	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	525.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10323	1.3
50.73050	1.3
51.97473	1.2
53.03942	4.6
55.01864	3.3
55.05516	7.4
57.03432	5.2
57.07079	6.9
61.02931	2.9
65.03942	1.2
67.05508	18.9
68.99789	2.8
69.03080	1.7
69.03435	27.6
69.07072	6.2
69.61848	8.3
71.01347	1.2
71.04983	2.9
73.02900	3.7
79.05499	6.9
81.03429	23.1
81.07063	16.6
83.04976	5.2
83.08632	1.9
85.02911	24.5
85.06549	66.4
85.39504	1.3
87.00838	12.6
91.03991	1.8
91.04554	1.3
91.05489	10.0
93.07047	10.3
95.04964	5.2
95.08610	18.2
97.02892	12.5
97.06557	2.4
98.21478	2.2
98.97575	2.2
99.04455	9.8
99.08099	81.3
99.36881	1.4
100.96600	1.2
103.05467	1.3
105.01844	5.8
105.07043	19.4
107.08615	13.0
109.02888	17.8
109.06531	10.5
109.10159	10.2
111.08051	1.5
113.09629	1.3
115.05452	1.4
119.08591	25.2
121.10152	24.7
123.08083	6.6
123.11711	6.9
125.05977	4.4
125.09635	13.4
127.03931	24.3
129.01837	2.4
129.07025	1.6
130.83304	1.2
131.08563	3.0
133.06398	1.4
133.10138	13.0
135.08020	2.0
135.11703	5.3
137.05960	1.8
137.09613	4.3
137.13251	2.3
139.11168	5.3
143.08557	4.1
145.04945	7.5
145.10133	8.1
147.02818	1.6
147.08034	2.2
147.11711	30.1
149.05911	2.1
149.09608	1.9
149.13245	2.2
151.07510	1.4
151.11229	2.8
152.23813	1.4
155.08647	1.1
157.10097	7.1
159.02907	8.2
159.11687	8.2
161.09660	3.4
161.13258	5.1
163.11137	1.3
165.09097	2.4
165.12752	15.7
170.10840	2.0
171.11690	7.7
173.13257	3.3
175.11224	5.0
175.14842	4.8
179.14334	11.2
184.12465	1.7
185.13306	9.7
187.14891	2.1
189.12753	2.0
189.16414	1.6
190.13527	2.3
193.08582	4.0
194.09045	1.5
197.13455	1.2
199.14804	10.9
201.16374	11.6
203.14369	6.2
209.08122	4.6
210.08348	3.2
215.18126	1.5
217.15955	2.2
231.04991	4.5
241.19547	6.8
259.20596	100.0
261.22180	2.0
277.17789	2.9
277.21661	6.7
277.25012	1.9
439.22910	1.6
481.24060	4.6
525.22644	10.9
525.29266	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	524.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.5
55.53292	1.0
56.77382	1.1
57.03429	4.7
57.07080	100.0
59.05006	85.8
62.81193	1.2
66.84740	1.0
69.07053	2.6
69.21468	12.2
71.08636	99.1
81.07092	1.6
82.21860	1.1
83.08618	4.3
85.10188	96.1
87.08106	1.3
89.06023	2.2
92.92670	1.2
95.08559	1.6
97.10143	2.8
98.20744	2.9
99.11115	1.4
99.11744	11.9
100.07623	2.0
101.09661	7.2
103.07581	3.6
112.72825	1.1
115.07602	1.5
117.09138	29.4
118.72255	1.4
141.16393	11.1
159.13766	2.1
159.89328	1.2
161.11707	1.2
162.45674	1.3
175.13370	6.9
199.20576	32.1
213.22229	1.3
233.17508	4.1
240.23257	2.5
251.18547	2.6
257.24774	41.1
271.26251	1.4
297.73773	1.2
315.28943	3.8
386.24896	1.2
507.42569	7.1
524.36157	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	525.0103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56604	0.7
56.96497	2.7
66.66339	0.6
69.23839	3.3
69.24258	2.8
71.95187	0.7
98.97588	66.0
98.98184	2.7
116.98624	30.0
134.99666	7.9
192.98737	1.1
194.99710	0.7
198.97632	0.9
216.98981	3.2
219.01945	1.3
232.96579	0.8
234.99982	4.2
240.98799	9.9
243.01611	0.7
250.97842	0.6
256.96655	2.3
257.96771	0.8
258.99838	80.3
260.00024	2.0
261.02988	2.7
264.98947	1.4
274.97882	5.7
275.97855	2.3
277.00873	61.4
278.01007	1.9
282.01178	0.9
282.99997	33.4
284.00027	1.8
284.99771	1.7
292.98798	1.7
298.97842	6.0
299.97778	2.5
300.02390	2.0
301.01059	28.4
302.01447	1.3
303.00833	1.3
316.95474	0.8
316.98941	9.6
317.98901	2.1
322.98044	1.0
335.00180	1.0
340.99075	1.6
359.00107	14.1
364.99188	2.9
383.00000	31.5
383.04965	1.5
401.01074	100.0
402.01306	3.7
403.00854	0.8
417.98822	0.8
419.02411	6.3
424.02597	2.9
425.01373	2.7
440.98926	4.0
441.99213	3.8
443.02142	5.3
444.02444	0.9
460.00223	2.5
483.00089	1.1
484.00012	0.9
500.97964	1.1
507.00095	8.4
507.06897	1.1
525.01300	79.8
526.01385	3.0
542.98914	5.0
548.03033	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
57.03439	2.2
57.07079	100.0
59.05006	37.2
60.04830	0.9
60.47310	1.0
61.13339	1.2
67.05495	2.3
69.07070	2.8
69.86002	2.6
69.86418	3.1
71.08636	78.0
73.02921	30.8
74.09712	1.4
81.07050	1.7
83.08604	2.7
85.10185	64.4
86.09686	2.0
87.04460	2.0
89.06009	1.7
93.07044	1.1
95.08598	1.1
97.10194	2.2
99.11747	13.7
100.80752	1.0
101.09660	2.6
103.07586	1.4
111.11688	1.2
113.13296	5.0
117.05475	1.1
117.09128	13.1
141.16449	1.6
155.17918	8.7
158.11845	1.3
161.08177	1.8
179.09299	1.1
199.20496	2.2
213.22147	18.4
219.12379	1.5
254.24925	2.2
257.24710	3.3
271.26328	25.4
294.44415	1.1
295.17331	1.2
298.40714	1.0
329.30551	1.2
514.56549	1.2
524.41467	6.8
530.64484	1.0
548.61133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3714
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.90485	0.2
51.65617	0.2
55.05510	0.4
56.05041	1.2
57.03428	0.5
57.07074	3.2
58.06584	1.2
58.91891	0.2
60.08167	18.1
67.05499	0.7
69.07046	0.3
69.59719	0.9
69.60138	0.6
71.07381	6.2
71.08628	2.3
71.33118	0.2
76.50117	0.2
81.07064	0.9
83.08614	0.5
85.10204	1.5
86.09708	48.8
89.78101	0.2
95.08604	0.9
97.10176	0.4
98.21484	0.3
98.98473	3.7
104.10748	100.0
109.10131	0.4
125.00010	27.4
125.98335	0.2
158.01733	0.2
163.01567	0.9
184.07346	92.1
199.80003	0.2
241.84125	0.3
244.29718	0.3
258.11075	0.9
341.30438	1.8
447.28799	0.3
456.33890	0.2
473.72031	0.2
506.36139	9.5
524.37146	41.3
525.37079	0.4
546.80444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77256	1.4
53.09749	1.5
55.05507	12.5
57.03444	14.1
57.07082	10.0
59.04993	6.9
65.03933	2.4
65.52132	1.7
67.05509	100.0
69.03450	1.4
69.07077	12.7
69.33239	4.1
69.33641	8.6
71.05000	2.0
71.08638	9.0
79.05498	22.7
81.07064	40.5
83.08635	10.0
83.14172	1.9
85.06536	2.7
85.10172	5.8
87.04468	4.1
91.05488	13.8
93.07052	30.9
95.04937	1.8
95.08607	29.0
97.06499	2.4
97.10170	2.0
99.08144	1.6
105.07021	10.5
107.08595	12.7
109.10164	70.3
111.08088	3.5
115.33614	1.5
115.39962	1.5
119.08569	11.2
121.10149	9.7
123.11694	3.6
131.08568	4.0
133.10144	4.6
135.11694	8.4
137.09627	2.9
139.40610	1.7
145.10139	3.0
147.11676	2.7
149.13208	3.7
155.10692	8.0
173.11752	21.2
173.13206	3.3
179.38867	2.0
229.14365	80.9
243.20993	2.2
245.33307	1.8
261.22113	13.4
264.81192	1.7
317.24646	2.2
320.43344	2.0
335.25806	74.0
394.71292	1.9
484.07437	1.7
489.35764	45.3
507.02451	1.7
507.36914	2.6
524.40656	16.7
551.23132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	11.6
57.03444	6.3
67.05511	23.4
69.07086	12.2
69.23426	56.5
79.05485	15.7
81.07056	24.5
83.08634	8.8
84.37877	6.1
85.02896	6.8
91.05491	21.2
93.07042	18.4
95.08611	19.0
97.02864	6.7
105.07043	11.6
107.08565	9.1
109.10126	10.6
116.99875	5.7
117.07042	10.9
119.08627	10.3
121.06566	6.4
121.10130	10.4
129.07007	16.1
131.08571	17.9
133.10141	10.5
135.11679	5.4
137.06003	6.6
141.07013	7.3
143.08540	10.6
147.04433	10.4
147.08041	5.6
151.07639	5.0
155.08560	8.8
157.10144	12.1
159.07986	5.6
169.10089	7.4
169.53883	5.7
171.11551	5.9
183.11743	8.5
193.91487	5.0
206.20781	5.6
221.13202	7.0
270.23538	5.6
320.85889	6.4
333.22150	7.6
341.24719	6.3
351.23181	31.8
369.24493	12.9
387.25281	9.1
425.26581	7.0
443.27914	71.1
461.29010	100.0
524.14600	10.8
524.34540	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	524.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.9
63.18659	0.8
67.05514	5.9
69.03436	1.2
69.07097	1.1
70.49818	1.8
71.04980	1.2
77.25652	0.9
79.05501	12.9
79.89046	0.9
81.03442	1.4
81.07051	5.2
83.08615	0.9
85.02936	0.8
91.05483	6.6
93.07037	5.8
95.04981	1.4
95.08607	10.8
98.21420	1.0
98.97597	0.9
103.05457	2.4
104.05006	1.0
105.07045	4.5
107.04931	4.6
107.08603	18.0
108.05754	1.4
109.06488	1.2
109.10191	4.4
115.05455	14.3
117.07047	0.9
119.04905	1.7
119.08595	2.8
121.06494	3.0
121.10155	3.0
122.06049	0.8
123.08056	1.2
127.03876	0.9
131.04936	3.4
132.04474	7.7
133.10121	2.3
135.04401	3.4
135.08047	1.7
136.05219	4.3
136.11211	1.2
137.05981	10.3
143.04930	41.3
143.27933	0.7
144.05707	1.2
145.06508	0.9
146.03590	0.9
147.08102	0.8
149.13272	10.4
150.06754	2.6
151.07549	100.0
151.14828	4.0
158.07272	1.4
160.05219	7.1
161.05971	4.3
161.13254	3.0
162.05502	7.2
163.06297	7.6
163.07585	3.6
163.14790	1.0
164.07053	2.0
164.08360	1.4
164.46176	0.9
165.09120	5.3
166.15906	7.4
173.13248	0.8
174.05408	1.5
174.06833	2.7
175.06070	2.0
175.07550	26.2
175.09015	1.9
176.07086	6.9
177.07863	11.0
178.08650	33.4
179.08626	0.8
179.14328	4.3
189.09120	3.4
190.08723	1.1
192.06624	1.3
194.08229	2.1
195.08000	2.5
207.08131	1.3
209.06039	1.1
209.09717	1.7
210.10469	1.0
211.07544	1.0
218.65752	1.0
221.09731	1.4
222.10384	1.4
223.07509	1.4
224.16461	2.3
225.09096	1.2
228.10185	1.9
230.11801	2.0
235.07574	1.4
237.09091	1.0
238.09987	1.1
239.10689	6.7
241.12286	2.4
249.09103	0.9
250.09889	1.3
251.07063	0.9
253.08643	3.0
253.12253	1.8
254.11806	3.0
256.13498	1.6
267.10165	12.2
268.10913	3.3
269.11758	1.6
270.12512	1.4
270.15112	1.6
281.11664	2.1
282.12360	2.2
283.09775	1.3
284.10291	1.2
284.16382	7.7
298.18024	29.6
298.21414	1.5
299.12753	15.3
301.14359	2.9
311.12775	1.0
312.12335	3.1
312.19635	5.2
313.14371	7.3
315.15631	1.3
326.21210	3.4
327.21954	20.7
328.15393	8.6
330.17117	1.0
344.14783	7.8
346.16879	1.1
478.29556	83.6
506.29071	3.8
524.30078	89.8
525.30701	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41449	0.6
53.03913	0.8
55.01833	1.3
57.03387	1.7
58.06560	0.8
58.74539	0.6
61.02877	2.6
65.84061	0.5
68.54608	0.5
69.03428	7.8
70.06570	1.3
71.04961	0.7
71.55717	0.6
72.08147	0.5
73.02885	1.3
74.14719	0.4
75.93770	0.5
79.05463	0.9
81.03368	2.4
81.03792	0.5
84.04386	0.6
85.02901	10.9
87.04412	1.9
91.03873	0.5
91.05475	0.5
97.02896	5.3
99.04423	1.0
103.05402	0.7
105.03318	0.5
107.04957	4.3
109.02828	2.2
118.14458	0.5
119.04941	0.8
121.06473	0.7
123.04442	0.6
125.05949	1.4
127.03855	2.2
131.04050	0.8
131.04933	9.9
133.01987	0.7
133.02847	9.3
133.06331	0.6
135.04411	4.6
136.06129	1.2
136.33932	0.6
137.05934	2.4
139.03856	1.2
145.04987	1.0
147.04332	1.9
148.49326	0.6
152.04645	1.2
153.05464	14.6
155.06950	1.5
159.04414	16.6
161.05898	1.0
162.09117	0.8
163.07433	0.8
165.04393	0.5
165.05495	6.9
167.07040	29.6
173.05925	1.2
176.04599	1.2
177.05446	1.3
178.08582	0.9
179.07004	2.2
181.07245	1.0
181.08659	0.9
183.04506	1.2
191.05420	1.0
191.07033	16.7
192.06390	0.7
192.07883	0.7
193.07256	7.8
193.08638	0.7
194.08156	4.2
196.09694	5.7
198.11237	6.9
207.08865	2.3
208.09688	23.4
211.07425	0.8
222.11234	3.9
230.08034	0.5
239.07249	0.6
241.08606	0.8
258.07654	3.5
259.96588	0.6
267.06689	0.7
269.07974	0.9
270.24323	0.6
271.09509	0.7
331.11850	0.9
362.15964	89.7
463.03143	0.7
506.12814	1.3
524.21283	100.0
525.21454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.6
53.03938	1.5
54.14505	0.6
55.01868	0.8
57.03429	1.2
65.03938	1.3
66.04699	0.7
69.03431	1.1
69.07070	1.3
70.07402	0.6
70.10202	2.3
71.05003	0.7
75.04470	2.8
77.03947	1.1
78.04695	0.9
79.05127	0.6
79.05504	6.5
81.03403	0.9
81.07066	4.7
83.08607	0.9
83.60446	0.6
85.02884	1.6
90.04688	1.4
91.05479	8.4
93.03414	4.2
93.07050	3.4
94.80910	0.6
95.04947	2.5
95.08614	2.6
97.06526	1.5
98.97571	1.3
99.08088	0.9
103.05481	9.0
105.07039	17.8
106.04189	9.1
107.04965	4.5
107.08609	1.7
108.05798	0.6
109.02880	1.7
109.06527	1.5
109.10155	1.1
115.05473	1.5
118.04173	17.0
119.04950	2.1
119.08566	1.4
120.05721	2.2
121.06503	13.3
122.07280	2.7
123.04460	0.8
123.08081	1.2
123.11747	1.2
124.05229	8.5
125.05976	2.6
131.04939	2.3
132.05751	1.7
133.06499	24.0
134.03625	1.2
134.07233	2.5
135.04395	2.9
135.08087	4.4
136.38370	0.7
137.05994	4.8
137.09572	0.7
139.07523	1.2
147.11670	1.1
148.05191	1.7
149.05988	19.9
150.06755	9.1
151.07530	4.0
153.09111	4.9
159.04395	0.8
160.05148	1.1
161.05989	5.2
163.03940	1.7
163.07549	2.0
165.09137	15.2
167.07021	4.8
175.07588	0.7
177.05489	12.4
178.06291	0.7
180.07924	0.7
181.08620	9.1
191.06982	3.6
192.07877	1.4
193.08618	100.0
195.06516	1.5
209.08107	73.4
210.08487	0.7
210.63315	0.6
223.04265	9.0
255.06438	0.7
312.09100	1.0
339.13181	0.9
353.13931	1.0
385.16370	1.5
524.27856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.05513	13.0
57.03437	1.3
57.07080	36.5
59.04997	1.7
65.03928	1.5
67.05506	28.6
69.03437	0.9
69.06728	1.0
69.07072	17.3
71.04986	2.8
71.08634	27.5
77.63950	0.7
78.35921	0.7
78.54690	0.6
78.76655	0.7
79.05495	11.9
79.37852	0.7
81.07059	68.5
83.04971	3.4
83.08615	15.2
85.06535	4.5
85.09708	1.4
85.10185	14.8
89.06018	1.7
91.05479	14.8
93.07052	7.5
95.04953	1.7
95.08609	28.1
97.06521	3.1
97.10176	3.7
97.10698	0.7
99.08084	3.0
99.11720	1.2
100.12457	0.8
101.06020	1.2
105.07036	23.6
107.08577	7.3
108.53136	0.7
109.06528	2.5
109.10159	9.7
111.08101	0.7
111.11758	1.1
115.07623	1.1
117.07000	1.1
119.08590	22.8
119.09459	1.1
121.10159	13.9
123.08096	3.0
123.10812	1.5
123.11708	26.0
125.13242	0.7
126.92465	0.7
127.07554	2.8
133.10115	1.7
137.13242	3.2
141.09151	1.0
141.91934	0.8
145.10162	0.9
147.11688	44.7
165.12758	29.1
183.13809	4.4
193.12270	1.0
229.14343	4.7
239.23727	7.0
250.83928	0.7
267.15918	41.3
313.27411	1.4
340.50037	0.8
391.13864	0.7
491.87112	0.8
523.39966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.6
53.03956	1.4
54.28705	0.6
55.01869	2.1
55.05499	1.5
56.96557	0.8
57.03429	1.8
58.06589	2.8
65.03948	2.0
66.04708	1.2
67.05500	2.0
67.83640	0.7
69.03434	1.6
69.07060	1.3
69.82112	1.4
69.82510	3.7
70.06565	0.7
75.04462	1.7
78.04707	1.5
79.05504	7.3
81.03417	2.6
81.07043	3.1
84.04512	0.8
85.02907	4.1
85.06557	1.0
87.00829	0.8
89.03918	1.1
89.06010	1.0
91.05487	9.9
93.02900	0.7
93.03416	5.1
93.07069	5.1
95.04971	2.4
95.08595	2.0
97.02863	1.1
97.06533	1.4
98.97572	1.6
103.05466	10.7
105.07043	17.1
106.04186	10.9
106.31128	0.7
107.04963	4.7
107.08575	1.9
108.05756	1.2
109.02882	2.9
109.06532	2.0
109.10172	1.3
115.05453	1.6
117.03380	1.0
118.04169	16.8
119.04948	2.7
119.08564	0.8
120.05709	2.2
121.06515	15.2
121.10078	0.7
122.07289	2.2
123.04459	1.2
123.08093	1.2
124.05218	8.2
125.06033	3.7
127.03896	2.1
130.04144	0.7
131.04941	2.9
132.05695	1.6
133.06502	23.5
133.10120	0.8
134.03653	0.9
134.07259	1.4
135.04425	2.8
135.08069	4.5
135.11659	1.0
137.05980	6.9
137.13234	0.8
139.07536	1.1
148.05205	0.9
149.05991	19.5
149.13361	0.9
150.06770	10.7
151.07536	5.9
153.05479	0.9
153.09138	5.2
159.11812	0.8
160.05136	1.0
161.05981	6.0
162.01340	0.7
163.03932	2.3
163.07587	2.9
165.09145	15.3
165.10512	1.5
167.07047	4.5
176.04820	0.7
177.05476	15.3
177.09221	1.0
178.06171	0.9
178.08667	1.7
179.07097	0.8
181.08598	11.3
181.36691	0.7
190.00777	1.0
191.07080	6.0
192.07851	1.5
193.08623	100.0
195.06485	1.7
209.08101	79.0
223.04242	6.7
237.02821	0.7
241.21666	2.8
242.48688	0.7
255.06517	1.1
265.09796	1.0
271.06149	0.9
279.11417	0.7
327.13333	2.8
339.13416	3.0
353.14258	1.0
367.12875	2.5
385.16245	1.9
451.13498	0.7
481.08383	1.0
492.21451	4.7
524.27039	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	523.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
55.05515	61.0
57.03447	19.0
57.07064	11.0
59.39224	3.3
64.04488	4.4
67.05176	5.2
67.05511	74.2
69.03429	8.4
69.07072	17.3
69.78041	8.7
69.78469	14.0
71.08609	4.3
79.05491	52.3
81.03424	6.7
81.07059	69.9
83.04995	6.7
83.08621	45.5
85.06535	4.9
89.06902	3.4
91.05461	19.0
93.07061	40.9
93.36798	4.9
95.05003	4.3
95.08141	4.1
95.08620	46.1
97.06528	4.5
97.10171	79.3
103.26601	3.5
105.07045	13.1
107.08604	44.9
109.10161	28.6
111.08028	4.3
117.07011	10.6
119.08592	11.9
121.10129	20.3
123.11726	10.0
125.09637	64.6
131.08568	16.4
133.10120	12.8
135.08054	12.0
135.11688	13.2
136.93109	9.5
137.13246	5.1
140.88361	4.2
143.10764	4.2
145.10136	11.6
147.11696	12.8
149.13290	7.1
154.94189	19.5
159.11734	9.5
161.13342	6.7
163.14832	9.8
171.10207	5.8
172.95250	21.3
173.13347	5.2
189.11230	63.0
190.96210	7.3
195.96794	4.3
227.12772	68.1
228.97807	9.2
243.21097	12.8
245.13838	100.0
246.98827	5.0
261.22128	62.3
313.27438	4.6
317.24799	12.3
327.56104	4.3
335.25827	63.6
431.31567	7.1
449.18912	4.5
467.20294	9.5
471.51654	3.8
487.33954	7.9
496.46527	3.6
505.35178	36.0
523.22803	27.1
523.35876	12.0
548.83289	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	523.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47015	3.4
53.03936	4.1
55.01858	7.7
55.05268	4.8
55.05513	70.1
57.03422	13.7
57.07071	9.1
59.72306	4.4
67.05180	4.2
67.05510	77.6
69.03425	5.5
69.07070	22.2
71.08617	6.6
71.56515	4.6
77.55777	3.2
79.05493	53.6
81.07064	70.5
81.72874	3.3
83.04955	5.4
83.08619	43.2
85.10181	4.1
91.05486	21.1
93.07048	47.6
95.08621	44.8
97.10172	80.9
105.07065	17.9
107.08604	49.8
109.10178	29.3
109.31174	4.1
111.08082	4.9
117.07021	6.6
119.08571	16.3
121.10130	16.3
123.11681	10.5
123.72881	4.0
125.09637	68.8
127.03947	4.9
131.08551	10.6
133.10129	9.2
135.08076	14.0
135.11681	19.1
136.93135	10.1
137.13254	5.1
147.11682	12.4
149.13229	10.9
153.09065	4.6
154.94151	18.0
159.11723	6.2
161.13252	4.7
171.10127	7.3
172.95226	18.1
173.13197	5.9
189.11240	70.9
190.96353	5.1
210.97723	4.1
212.97531	8.0
227.12782	79.4
228.97908	4.5
243.21034	12.3
245.13870	100.0
261.22165	56.2
267.15903	5.2
279.23007	7.2
295.56821	4.0
313.27365	6.3
317.24725	11.6
335.25827	77.1
449.19186	5.4
467.20041	10.1
487.34024	11.9
505.35184	37.1
523.22449	26.9
523.36029	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	523.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.05518	5.9
56.96577	1.4
57.03436	2.3
57.07074	3.6
58.03281	1.1
61.02919	2.0
67.05513	13.7
69.03448	5.7
69.07073	17.2
70.06615	1.7
71.05008	2.7
71.08626	1.4
71.56844	2.0
79.05507	12.5
81.03414	3.9
81.07063	100.0
83.04980	4.1
83.08624	6.0
84.08140	1.3
85.02908	10.2
85.06551	5.0
91.05475	8.3
93.07050	18.2
95.04979	3.9
95.08618	52.0
97.02892	4.2
97.06541	2.6
97.10172	3.9
98.97588	2.6
99.08113	1.9
103.05479	1.2
104.82638	1.0
105.07046	11.4
107.04986	1.5
107.08602	12.6
109.02893	1.9
109.06527	3.8
109.10162	23.6
110.10498	1.2
111.08101	1.6
111.11700	2.9
117.07049	1.8
119.04964	1.2
119.08591	9.9
120.08092	1.1
121.06555	2.3
121.10170	8.5
123.08065	1.2
123.11732	4.8
127.03928	3.2
127.07559	4.8
127.11198	1.7
131.08598	3.7
133.10101	6.9
135.08118	1.4
135.11693	17.8
137.05995	6.1
137.09605	4.0
137.12210	1.6
137.13269	31.2
139.11224	1.7
145.04951	2.1
145.10172	3.3
147.04385	1.1
147.11703	7.0
149.13277	4.1
151.11253	1.5
151.14865	1.4
153.12755	3.9
155.10640	1.5
155.14293	9.5
159.11739	4.1
161.05969	1.2
161.13202	2.6
163.07594	1.2
163.11278	1.8
163.14885	2.4
164.07062	1.4
165.12820	2.7
171.13818	2.8
173.15373	17.3
175.14886	2.6
179.07117	1.5
181.05139	1.2
182.25035	1.0
195.15640	1.3
201.16443	1.2
215.18115	2.0
219.01772	1.3
271.24265	4.4
277.25287	2.7
289.25308	11.4
295.26367	1.2
307.26315	16.8
325.27155	1.9
343.28308	2.2
469.31259	1.3
479.22818	1.8
523.22473	8.3
523.28925	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	523.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.8
53.68449	3.0
55.05511	13.6
56.05030	4.1
57.03432	4.2
57.07094	6.4
60.62530	3.8
65.82220	3.5
67.05513	34.3
69.03432	5.0
69.07068	24.4
70.06598	100.0
70.08253	13.0
71.06900	3.8
74.06062	4.0
79.05500	21.5
81.07061	76.4
83.04996	4.5
83.08618	10.7
84.04496	4.7
85.02903	12.9
85.06548	16.3
86.09722	17.4
87.05589	3.5
91.05475	20.4
93.07041	29.6
95.04986	3.8
95.08610	72.5
97.06546	5.4
97.10171	7.0
99.08135	9.7
103.98237	3.7
105.07030	31.0
107.08620	36.7
109.02979	3.5
109.10159	45.2
111.11794	5.9
113.09634	3.8
113.10735	4.1
119.08588	21.3
120.08140	26.3
121.10140	22.4
123.04462	5.6
123.11718	19.2
125.09631	7.1
125.13420	4.3
127.03942	4.9
127.08702	17.0
130.53297	3.8
131.08578	9.7
133.10129	26.6
135.11691	19.7
137.05989	6.2
137.09641	7.0
139.11188	9.0
141.06595	6.2
145.10107	9.6
147.11679	22.1
149.13229	24.3
151.11186	5.0
155.08188	10.1
159.11708	10.3
161.13268	16.4
163.14839	10.4
165.12816	3.9
173.13313	6.2
175.04004	4.2
175.14851	14.3
177.16443	5.3
183.14975	5.7
187.14882	5.6
189.16408	6.0
201.16400	5.5
207.06509	8.0
207.17552	6.8
209.12831	3.6
215.18010	7.8
221.12895	12.9
223.07666	5.7
229.13448	6.4
229.15501	47.0
230.15807	4.7
250.08546	5.9
257.12741	16.9
271.05899	3.7
271.24271	19.9
272.06497	5.1
273.06387	17.3
274.07156	5.4
275.07193	6.1
277.25244	7.3
285.12299	9.3
286.17599	9.7
289.25256	41.8
294.10983	4.9
306.32724	3.7
307.26141	26.1
345.15463	3.7
429.16647	6.7
447.17575	5.7
458.68942	3.3
523.12000	5.2
523.19861	7.2
523.27747	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	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65132	2.0
52.09777	2.2
53.03942	4.4
55.01871	4.8
55.05511	18.7
56.96564	3.1
57.03434	5.5
57.07077	5.3
59.05009	2.6
60.55312	2.0
61.02921	3.8
65.03936	2.5
67.05509	33.9
68.99809	2.5
69.03436	12.4
69.07071	36.5
69.40054	19.0
70.06597	5.2
71.04987	7.8
71.08626	3.1
79.05501	25.6
81.03412	10.3
81.06579	5.0
81.07063	100.0
83.04988	7.6
83.08623	15.7
84.08152	4.2
85.02914	18.9
85.06548	19.7
86.09693	5.5
91.05477	19.0
93.07051	48.2
95.04964	7.9
95.08617	93.4
97.02898	4.7
97.06548	6.6
97.10178	9.8
98.97600	2.6
99.04449	4.2
99.08099	23.8
101.06066	3.0
103.05482	3.1
105.07034	35.0
107.04973	6.2
107.08595	38.4
109.02895	7.4
109.06520	3.5
109.10168	45.5
111.08073	5.0
111.11727	6.4
113.09653	6.3
115.05444	2.9
117.07048	7.7
119.04962	2.4
119.08588	26.4
120.08092	4.1
121.06523	7.5
121.10149	42.0
122.03660	3.1
122.06044	2.5
123.08064	4.7
123.11701	23.5
127.03920	10.4
127.11201	3.7
131.04935	3.3
131.08580	10.4
133.10104	20.4
135.11696	35.4
137.02286	2.8
137.05984	41.4
137.09593	5.3
137.13257	10.4
139.11189	7.3
143.08540	3.0
145.04965	3.0
145.10184	12.0
147.04428	7.8
147.07941	3.1
147.11682	25.0
148.04703	2.4
149.13258	20.6
151.03926	3.6
151.07578	5.2
151.11136	2.3
151.14793	4.4
153.01834	31.5
153.12802	3.2
154.02153	14.7
155.02339	6.9
157.10107	2.6
159.11711	16.4
161.06001	5.4
161.13240	13.3
163.07567	4.4
163.11169	3.7
163.14886	11.1
164.07121	3.8
165.12787	6.8
167.06952	4.0
171.02884	4.3
173.13281	6.0
175.07497	3.6
175.14832	5.6
177.05496	2.9
177.16425	24.9
179.14319	3.7
181.08597	2.7
187.14761	5.3
189.12692	2.3
189.16380	5.7
195.17490	19.9
201.16382	2.5
203.18051	3.8
207.06474	2.0
207.17281	2.4
213.18520	49.0
215.18015	5.0
217.12509	2.4
217.89885	2.5
219.01678	3.0
219.17587	2.4
221.08208	3.2
235.13184	3.6
255.06529	23.2
256.06903	29.2
259.24319	3.5
271.05927	2.7
271.24295	12.9
272.06543	2.9
273.07568	22.0
274.08066	14.2
275.08130	21.3
277.25323	10.1
282.34705	2.3
289.25266	35.3
295.26309	17.6
307.26288	32.8
325.27350	15.9
343.28357	7.2
346.26202	2.6
456.32986	2.3
463.20355	3.0
523.21857	18.4
523.30835	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.6
55.01873	8.7
55.05264	2.5
55.05517	30.0
56.44127	2.0
57.03434	9.8
57.07076	12.8
61.02916	6.2
65.03944	2.6
67.05509	41.2
68.33080	2.1
68.99802	8.7
69.03434	70.1
69.07072	58.4
69.99980	4.7
70.00388	5.8
71.01366	4.6
71.05000	13.0
71.08632	5.1
73.02881	3.0
74.09714	1.7
79.05505	26.2
81.03423	55.9
81.07062	96.6
83.04988	11.1
83.08623	26.0
85.02911	51.4
85.03429	2.3
85.06542	13.4
85.10227	1.6
87.00835	19.1
87.04458	2.8
91.05476	27.3
93.07047	47.4
95.04964	13.2
95.08611	100.0
97.02895	20.4
97.06532	8.0
97.10182	13.9
99.04457	17.5
99.08092	5.8
103.03925	2.8
103.05464	2.6
104.79886	1.7
105.01837	6.1
105.07034	40.1
107.04963	7.1
107.08599	44.1
109.02885	37.3
109.06518	7.7
109.10159	53.4
111.04445	13.9
111.08096	7.0
111.11728	6.8
113.09670	2.7
115.03954	5.3
115.05448	3.1
117.07013	8.1
119.04944	2.0
119.08576	36.3
121.06499	12.2
121.10149	28.6
123.04411	5.3
123.08070	6.6
123.11718	26.7
125.06003	3.0
125.09644	1.8
125.13320	2.1
127.03926	78.6
128.06277	3.6
129.01865	5.3
129.05472	2.5
129.07005	8.2
130.07854	2.4
131.04916	2.1
131.08566	19.2
133.06479	7.4
133.10132	27.0
135.04424	2.1
135.08067	10.5
135.11693	16.6
137.05962	7.6
137.09631	3.3
137.13268	13.5
141.06993	3.1
142.07806	4.3
143.08575	14.2
145.04953	3.5
145.06511	3.6
145.10127	22.3
147.08022	8.6
147.11707	17.4
149.09621	8.2
149.13278	23.7
151.07561	3.5
151.11185	3.5
151.14827	6.8
155.08565	5.8
157.10146	15.0
159.02942	5.3
159.08112	5.0
159.11691	23.4
161.09653	10.2
161.13249	14.7
163.07591	2.9
163.11188	5.6
163.14833	17.0
165.09128	2.9
167.08620	2.7
169.10194	6.7
171.08061	3.4
171.11702	7.2
173.09557	4.4
173.13277	15.0
175.11197	6.8
175.14822	5.9
177.09105	3.1
177.16414	4.3
179.14328	2.4
181.10112	3.1
183.11716	8.3
185.09608	5.1
185.13295	5.1
187.11136	4.2
187.14861	5.2
189.03827	2.7
189.09134	3.8
189.12756	3.7
189.16411	2.2
191.10732	3.3
191.14209	3.0
191.17924	2.6
195.11746	4.9
197.13298	7.1
199.11174	3.8
199.14865	5.9
201.03958	5.1
201.12794	2.3
201.16310	2.7
203.10701	4.1
203.14371	1.9
205.00363	1.9
207.10136	4.4
211.11240	3.0
211.14912	3.7
213.03958	10.2
213.12880	4.3
213.16475	4.2
215.05524	3.2
215.10664	2.2
215.14323	3.5
215.17853	3.2
223.14873	2.7
225.12756	2.4
227.14334	3.7
229.15970	2.7
231.05040	14.6
241.15866	3.3
243.13756	2.1
245.15514	2.1
259.16867	2.6
277.25211	2.3
287.27408	2.0
291.23856	2.0
291.26782	10.0
303.26843	8.0
305.28357	6.0
311.11041	2.5
315.26910	6.6
317.28363	3.3
321.27936	3.3
329.28162	2.5
333.27853	8.8
341.28268	2.9
345.28159	1.9
347.29648	2.9
359.29419	6.8
365.28571	6.5
371.29251	2.9
377.30472	3.5
383.24820	1.6
383.29465	35.6
401.30539	46.9
407.76819	1.9
419.31662	16.0
437.32544	2.4
445.29205	1.9
451.29242	1.9
461.32770	2.9
469.29492	4.8
487.30554	20.6
505.31717	35.9
523.20874	3.9
523.32770	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
56.05035	1.7
57.34834	0.8
58.06607	7.1
59.06123	1.1
69.03441	1.8
69.27785	6.1
70.06597	5.3
71.06126	2.0
72.08144	1.1
73.07657	1.1
76.02232	1.4
84.04523	2.2
84.08162	1.2
85.02914	2.8
86.09718	1.4
90.05551	1.1
97.02895	1.3
98.09663	1.6
98.97570	0.9
104.22713	0.8
107.04906	0.8
119.04963	1.0
120.08114	0.8
123.04467	1.7
127.04004	0.9
129.10216	1.5
137.05959	1.7
141.07024	1.0
153.06960	1.1
156.08553	1.1
156.47646	0.8
158.02731	1.5
165.05675	1.0
165.07063	2.9
167.08577	1.1
177.07039	1.2
179.08572	1.5
181.06563	4.3
182.07318	1.7
183.08112	1.0
191.07092	0.8
192.08076	2.2
193.06467	5.9
195.08112	1.0
197.05937	2.4
198.06827	1.4
199.07555	1.6
202.08904	4.3
205.06447	4.5
206.09689	1.3
207.08060	0.9
209.05997	2.1
210.06729	2.2
211.06107	0.8
211.07611	9.3
212.08330	1.3
220.05217	2.8
220.07576	3.3
221.06100	4.3
221.08096	1.1
222.06764	2.2
222.08977	1.4
224.08418	2.2
225.05563	1.2
225.09172	5.2
226.06453	1.1
226.08640	2.0
227.03339	0.9
227.07022	4.8
233.05980	2.0
234.06821	1.3
234.09090	2.2
235.07622	6.5
236.07103	3.3
237.05492	1.5
237.09395	5.9
238.06310	1.4
239.07118	6.0
240.07788	5.5
240.10287	2.4
241.08621	8.1
242.05750	2.0
243.10217	1.4
248.04700	3.2
248.07115	4.0
249.05447	2.1
249.07791	1.3
250.08650	2.0
251.07097	1.5
251.09418	2.6
252.07784	2.5
252.10213	2.2
253.08635	9.2
253.10854	1.3
254.08209	3.7
255.06657	4.1
255.08884	1.2
256.07278	1.6
257.08118	5.9
262.08633	1.8
263.07059	13.3
263.09439	1.4
264.07697	2.7
265.08737	16.3
266.08740	1.6
266.11798	2.8
267.06195	1.1
267.10104	3.3
268.07245	3.6
268.09821	2.2
269.08051	3.0
270.08917	5.9
270.11426	1.5
271.09769	7.2
272.10513	6.3
274.12079	8.1
279.09064	3.2
280.07166	2.8
280.09760	9.1
282.08734	2.0
282.11411	2.9
283.09674	12.2
284.10309	2.4
285.11066	2.8
286.10773	5.0
294.11264	17.5
295.06238	1.6
295.09485	9.5
295.12006	0.9
296.09396	1.9
297.11301	12.8
300.12357	3.5
301.13141	4.9
310.10468	1.1
311.11276	3.9
312.12289	4.8
314.13870	22.9
322.10681	4.7
326.13873	14.3
327.14597	1.0
328.15256	3.1
343.16553	100.0
344.17279	7.4
345.18362	1.9
360.17880	1.3
361.18420	6.3
416.89328	1.0
523.12384	5.3
523.22833	37.6
538.22711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02983	0.1
55.05506	0.3
56.05040	0.5
57.03418	0.1
57.07078	0.1
58.06632	0.5
59.07387	0.1
60.08164	5.9
65.41151	0.1
67.05499	0.4
69.07062	0.4
69.81870	0.1
69.82279	0.4
70.06582	0.1
71.07374	2.6
71.08625	0.2
79.05454	0.1
80.97427	0.1
81.07047	0.4
83.08614	0.2
86.09707	29.2
89.06023	0.2
93.07022	0.2
95.08608	0.2
97.10155	0.1
98.20888	0.1
98.98467	2.8
104.10748	2.9
104.24339	0.1
107.08632	0.2
121.10105	0.1
125.00008	21.1
126.16529	0.1
143.01047	0.2
154.94150	0.1
178.08534	0.1
184.07343	100.0
194.61090	0.1
244.49706	0.1
249.84840	0.1
258.10983	0.2
276.03146	0.1
339.28860	0.1
458.80832	0.1
475.78909	0.1
504.34479	1.3
522.22656	0.2
522.35522	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	522.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68526	1.4
53.03935	3.9
53.32392	1.3
55.01848	1.5
55.05516	9.6
56.87894	1.2
57.07060	1.3
59.04985	2.7
61.02930	1.6
65.03950	1.6
67.05515	10.7
69.03429	8.3
69.07076	13.7
69.32712	9.3
69.33125	2.8
70.23453	1.2
70.67256	1.2
71.04995	20.0
73.02913	2.3
73.06525	1.7
79.05495	21.9
81.03423	4.8
81.07063	86.2
83.04983	2.2
83.08614	6.1
84.55899	1.2
85.02905	17.5
85.06535	2.2
87.00834	9.5
91.05483	14.5
93.07050	40.1
93.07629	2.3
95.04974	3.3
95.08618	34.5
95.09234	1.7
97.02908	6.7
97.06515	2.7
97.10151	3.8
98.97572	1.8
99.08096	4.1
103.05473	1.5
105.01874	23.7
105.07048	34.3
107.08601	52.8
109.02881	4.7
109.06516	1.3
109.10167	39.1
111.08096	1.3
111.11721	2.6
113.09634	2.4
117.07024	3.8
119.08589	67.9
119.67150	1.2
121.10152	12.0
123.04324	1.2
123.11710	21.2
124.05222	2.0
125.09660	4.5
127.03923	11.3
127.11202	22.0
133.10138	45.2
135.11700	100.0
137.05948	2.7
137.09627	2.0
137.13239	4.4
139.11185	2.8
143.10696	16.7
145.04974	5.3
145.10114	3.8
145.76839	1.3
147.11700	26.9
149.13257	7.0
151.11186	2.6
153.12752	13.1
157.10188	1.3
159.02879	1.6
159.11668	2.8
161.13271	16.7
163.14793	5.8
165.12834	1.9
175.14833	3.1
177.16408	1.8
193.19568	1.5
196.32027	1.6
201.16431	1.7
203.17973	62.2
221.19017	60.6
231.05048	3.3
239.20087	2.0
242.82021	1.4
249.05965	7.1
270.12512	3.1
343.17587	4.1
344.18506	6.2
451.23535	1.5
522.23834	2.9
539.63074	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	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54610	2.5
53.03934	3.8
55.05508	9.9
57.07069	2.9
67.05515	14.6
69.03429	8.1
69.07063	10.3
69.32333	7.0
69.32758	15.4
71.04996	20.7
78.19984	2.5
79.05495	24.8
81.03413	5.5
81.07059	96.2
82.08135	2.8
83.08608	4.7
85.02915	19.2
87.00818	8.3
91.05482	18.0
93.07053	42.3
93.37685	2.2
95.08618	29.8
97.02880	8.1
97.88509	2.4
98.21450	4.3
98.97591	3.3
99.04447	3.0
99.08087	5.9
105.01873	22.8
105.07028	50.0
107.08597	49.2
109.02897	2.5
109.10162	36.8
111.11684	2.3
113.09657	2.4
117.07005	3.9
119.08591	81.2
121.10169	12.3
123.11712	20.8
125.09665	2.7
127.03918	12.9
127.11204	32.4
133.10143	45.2
135.11702	100.0
137.05995	6.3
137.13293	4.2
143.10710	13.2
145.04950	7.5
145.10074	3.7
147.11684	30.5
149.13257	7.0
153.12744	8.7
159.02919	3.0
161.05997	3.0
161.13248	17.8
163.14757	3.5
177.16394	3.7
178.08685	2.7
201.16385	2.4
203.17970	77.2
221.19020	76.4
231.05034	5.1
249.06111	4.8
292.91437	2.6
399.79761	2.8
400.71094	3.0
522.24963	15.5
533.47156	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	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20152	0.8
53.03943	2.3
54.27145	0.8
55.01892	1.0
55.05260	1.2
55.05514	13.6
57.03444	1.3
57.07071	3.1
59.05009	8.4
65.03947	1.4
67.05508	13.5
69.03429	2.6
69.07072	38.4
70.56878	2.6
71.04997	4.4
79.05496	20.5
79.05959	1.1
81.03430	2.5
81.07062	100.0
83.04984	1.3
83.08618	7.2
85.02930	4.7
85.06561	1.2
87.00809	1.4
91.05486	9.3
93.07050	22.8
95.04971	1.6
95.08613	38.3
97.02918	2.5
97.06541	4.7
97.10163	3.1
98.97559	0.9
99.04481	0.9
99.08106	0.8
105.01874	1.9
105.04510	0.9
105.07039	28.4
107.08599	34.0
109.02854	1.5
109.06517	5.0
109.10166	30.5
111.08077	3.3
111.11716	5.7
117.06985	1.4
119.08588	28.9
121.06543	0.8
121.10157	23.2
123.08102	2.0
123.11715	20.4
125.09617	4.7
127.03899	2.5
129.65584	0.8
133.10135	20.5
135.11711	11.3
137.05988	1.2
137.09624	3.4
137.13249	2.3
139.11168	4.6
139.74083	0.8
145.04935	1.8
145.10150	1.7
147.11707	31.4
149.13264	16.1
151.11197	3.1
151.14819	1.4
153.12750	7.8
157.10237	0.9
159.11772	0.9
161.13266	11.4
163.14844	8.9
164.07092	1.4
165.12743	11.4
175.14853	4.8
177.16388	2.0
199.65981	0.8
203.17969	35.2
221.19017	54.7
231.05035	0.9
239.20117	3.9
253.14293	1.0
267.56342	0.8
314.21381	0.9
416.41882	0.9
522.22308	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	522.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
54.44482	0.3
55.01855	0.6
55.05515	11.1
57.03191	0.6
57.03443	5.7
57.07089	1.7
60.04532	0.4
64.20847	0.3
65.03948	0.8
67.05509	26.0
69.07073	15.3
69.07461	0.5
70.02942	0.4
70.19024	0.8
70.19384	0.9
71.04989	0.8
71.08634	0.7
79.05074	0.5
79.05504	6.6
81.07062	24.3
83.04956	0.6
83.08620	7.5
85.02920	0.5
85.06535	1.0
86.09713	1.1
87.10069	0.5
88.03993	5.4
91.05486	4.2
93.07051	6.8
95.08615	19.6
97.06537	1.9
97.10179	3.1
98.98471	4.8
99.08094	0.6
100.17608	0.3
104.10734	2.1
105.07042	3.6
106.05019	1.5
107.08601	3.8
109.06499	0.5
109.10166	8.3
111.08083	1.0
111.11739	0.5
119.08593	2.9
121.10158	3.4
123.11716	2.7
125.09577	0.6
133.10139	3.1
135.11685	1.4
137.09604	0.4
137.13260	0.9
139.11182	0.4
147.11697	1.4
149.02411	0.6
149.13281	1.1
155.01141	0.4
161.13280	1.0
163.14813	0.9
168.02029	0.4
173.02129	1.4
173.11395	0.4
175.14807	0.9
184.07375	2.5
185.07657	0.7
189.16275	0.4
193.04933	0.9
237.07550	1.1
242.04204	0.6
245.22604	1.0
260.05380	0.6
263.23776	1.9
285.10776	0.3
287.81961	0.4
318.57828	0.4
337.27386	100.0
338.27658	0.5
343.10703	0.4
350.27029	2.0
504.33774	0.6
522.37146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08308	0.6
53.03958	0.7
54.60856	0.8
55.05517	11.5
57.03433	7.0
57.07075	1.1
60.08169	5.3
67.05507	26.9
69.07072	12.8
71.04967	0.9
71.07362	2.4
71.54586	0.8
79.05504	8.8
81.07062	25.7
83.04971	1.0
83.08617	8.6
85.02939	1.0
85.06557	1.2
86.09713	17.2
87.10052	5.0
88.04002	4.9
91.05485	5.6
93.07045	8.9
95.04984	0.8
95.08617	18.0
97.06536	1.7
97.10174	3.1
98.98459	5.5
104.10750	25.7
105.07050	4.2
105.11073	10.0
106.04987	0.8
106.11230	0.9
106.72123	0.8
107.08604	3.9
109.10135	7.0
110.10503	1.4
111.08040	1.1
111.11732	0.9
114.05602	0.7
119.08587	3.0
121.10147	2.5
123.11697	2.5
125.00012	8.4
126.00365	1.6
127.00401	1.3
131.08670	0.9
133.10127	2.7
135.11665	1.2
137.13217	1.1
145.52382	0.7
147.11682	1.7
149.59937	0.8
155.00998	0.9
161.13191	0.9
184.07352	23.3
185.07692	10.1
186.07803	6.1
222.14850	1.5
229.14282	0.9
263.23798	1.6
265.31180	0.7
278.01990	0.8
301.20142	0.8
337.27383	100.0
338.27866	1.0
350.26862	2.6
439.67346	0.9
504.33603	4.2
522.34595	17.1
533.00275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78108	1.1
74.02457	0.7
78.26355	0.6
78.83551	0.6
91.05480	1.0
115.05446	1.1
115.32109	0.6
117.05750	0.7
117.07008	1.2
118.06544	16.4
118.16039	0.6
124.29213	0.6
130.06528	1.9
132.08090	5.5
137.06017	0.7
142.06503	2.3
143.07336	1.8
144.08095	10.7
146.06015	54.4
159.09175	6.2
159.42422	0.5
160.07617	0.7
170.06012	4.9
188.07071	100.0
205.09729	48.6
219.75735	0.6
306.20599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.7
53.03951	1.7
54.95776	0.6
55.01862	1.4
55.05502	0.8
57.03417	0.8
59.08790	0.7
61.02940	1.1
61.03394	0.6
65.03930	2.7
67.05510	2.0
68.99790	1.2
69.03426	2.7
69.07072	0.9
69.25919	6.7
71.04991	1.0
73.02916	0.8
77.75969	0.6
79.05495	2.3
81.03412	2.9
81.07062	2.9
85.02915	5.2
85.79922	0.8
86.91058	0.6
87.00829	0.9
91.05484	29.2
93.07050	2.9
95.04987	2.4
95.08620	2.4
97.02885	4.9
98.97578	0.9
99.04454	2.6
103.05473	100.0
104.39075	0.7
105.03396	0.8
105.07054	5.0
107.04961	3.2
107.08569	1.4
108.02110	2.0
109.02885	3.3
109.06501	0.9
109.10171	1.2
111.04431	1.2
115.05462	5.0
117.03488	0.8
117.07029	25.4
119.04956	1.2
119.08603	1.3
121.02847	1.3
121.06507	12.0
121.10149	1.0
123.04422	4.6
125.06001	33.3
127.03933	3.8
127.19926	0.7
128.06233	1.1
129.07010	6.4
131.04936	61.9
131.08580	6.1
133.10147	1.6
135.04465	3.9
137.05975	10.0
141.07005	2.3
143.08597	7.9
145.04990	1.1
145.06554	0.7
145.10103	1.1
147.04437	1.1
147.11618	0.8
149.05998	7.9
151.03912	70.4
152.06200	1.2
154.02568	0.8
161.06001	0.8
163.07626	0.7
165.07054	2.4
166.07820	2.0
167.07181	1.2
167.08595	5.8
177.05493	2.8
177.06917	1.4
178.07848	2.2
179.08574	1.7
181.10170	2.1
189.09108	0.7
191.07095	0.8
191.08569	1.5
194.07304	6.0
195.08102	2.8
199.11096	1.0
207.08081	1.1
209.09631	6.9
211.07645	1.2
212.08325	3.9
220.18114	0.6
222.06801	1.1
223.07530	1.0
227.10678	61.3
233.08066	0.7
237.07021	1.0
237.09111	55.7
255.10182	87.6
256.10608	0.9
273.11224	47.9
315.14731	0.9
358.82477	0.8
391.60461	0.9
476.30035	1.0
477.30539	2.9
485.28860	0.9
520.32660	0.8
521.33929	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	521.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	1.0
56.96558	1.4
57.03421	1.3
65.03926	1.8
69.03445	2.6
70.06581	3.7
72.08117	1.1
81.03408	4.0
84.08138	1.9
85.02906	4.2
86.09722	2.1
91.05489	18.7
97.02906	2.0
98.97575	2.8
103.05490	5.7
107.04967	2.0
109.02879	1.7
110.07141	1.9
117.03369	1.7
117.06993	1.3
117.74297	1.2
119.04957	28.7
120.08150	2.3
121.02877	1.9
123.04443	2.6
127.03910	1.2
131.04945	7.5
133.06624	1.0
135.04466	1.3
136.07578	1.7
137.02370	1.5
137.06017	9.3
138.06326	1.6
145.02895	5.5
147.03226	1.3
147.04420	25.7
149.05948	1.5
151.03877	1.2
157.03986	3.4
161.06059	1.3
163.03911	1.8
163.07535	4.7
164.06960	1.5
175.03925	46.1
177.05481	8.7
178.05946	1.1
179.07065	4.1
180.10257	1.8
207.06549	100.0
237.02888	1.4
239.02448	1.6
242.33659	1.2
255.06499	2.6
262.48056	1.3
271.06189	5.1
272.06421	3.9
273.06940	4.7
282.04636	0.9
295.06082	1.7
297.07788	1.2
299.05777	1.0
307.06027	1.5
308.03702	1.0
308.07306	1.2
309.07571	1.6
311.05710	1.6
323.05386	1.6
325.07034	3.8
337.07068	3.8
353.06570	4.0
365.05695	4.2
369.11832	4.0
379.08072	1.7
383.07690	2.2
401.08777	1.4
407.07382	2.1
419.07761	2.1
425.08823	3.3
437.08682	2.2
449.08765	1.7
455.09955	2.0
467.09702	2.8
485.10294	2.0
503.10757	1.7
521.10474	3.9
521.21783	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	520.3401
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
50.09145	0.4
53.31326	0.4
55.05502	1.1
56.05032	1.7
56.96570	0.4
57.03444	0.8
58.06605	1.0
60.08166	17.4
67.05506	3.0
69.07062	1.8
69.80063	2.0
71.07378	6.7
79.05500	1.0
81.07061	2.6
83.08606	0.7
86.09708	51.1
91.05492	0.7
93.07040	1.0
93.12652	0.4
94.98445	0.3
95.08623	1.5
98.98472	4.4
104.10748	100.0
105.07076	0.5
107.08600	0.7
109.10151	1.1
112.76000	0.4
114.18913	0.3
124.62522	0.4
125.00011	28.7
184.07347	97.2
258.10965	0.9
337.27390	0.7
370.87497	0.4
384.19107	0.4
428.95459	0.4
435.49744	0.4
482.23859	0.4
502.32993	9.3
520.34015	38.3
521.34076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.7
55.01876	14.3
55.05527	2.9
56.86595	1.6
57.03447	7.9
58.06585	1.7
61.02937	8.8
65.03936	2.2
67.05499	6.5
68.99796	8.6
69.03435	31.2
69.07072	5.8
69.79848	3.9
69.80263	4.8
70.06586	2.1
70.23846	1.5
71.05003	9.0
73.02922	12.0
79.05502	7.9
80.05033	2.3
81.02977	3.6
81.03425	40.6
81.07059	15.1
83.01382	1.6
83.04985	2.0
83.08616	1.8
84.08170	2.1
85.02912	89.1
86.09705	3.0
87.00832	30.8
91.03952	4.4
91.05484	34.6
92.05823	2.5
92.87074	1.5
93.07048	10.4
94.07368	2.7
95.04967	4.7
95.08611	14.7
96.08942	4.6
97.02899	40.5
97.06535	4.9
98.21461	2.0
98.97601	3.5
99.04454	19.6
103.05497	4.5
105.01865	23.1
105.03401	4.1
105.07044	13.1
107.04952	9.1
107.08601	7.1
108.08141	2.3
109.02893	31.3
109.06560	2.4
109.10176	3.4
115.03996	3.0
117.01842	5.9
117.07043	3.4
119.04971	12.2
119.08592	6.5
121.02898	10.9
121.06551	2.7
121.10144	5.8
122.09695	2.0
123.04436	4.7
123.11741	2.0
125.05986	2.8
127.03925	58.5
129.01868	6.7
129.07010	3.7
131.04933	3.1
131.08568	5.3
133.06526	2.2
133.10138	5.5
135.04393	2.4
135.11739	3.7
137.05988	40.0
138.06340	5.2
141.07030	2.0
143.08574	2.6
144.48521	1.7
145.04967	29.5
145.10167	2.8
147.02907	5.6
147.08119	2.3
147.11694	3.5
149.02332	32.6
149.05956	3.2
151.03918	2.5
151.07552	2.6
153.01848	58.0
153.06970	3.0
159.02908	22.4
159.07997	2.2
159.11707	6.2
160.12057	2.6
161.06006	3.3
163.03911	2.8
163.06258	1.5
163.07581	2.0
164.07100	3.0
165.09184	1.6
167.03383	1.8
167.07069	6.3
167.08511	2.1
171.08162	1.7
173.02388	2.5
175.03876	1.8
175.07492	2.4
177.01942	2.8
177.05479	3.9
179.03426	5.0
181.06593	2.8
187.11215	2.5
189.05406	2.0
189.09102	1.7
195.02872	5.4
199.07555	62.4
203.03392	2.1
216.10211	2.7
219.13800	1.9
219.17375	2.1
220.14226	1.6
221.08311	1.6
223.07527	4.8
225.05527	2.2
227.07054	48.1
231.05043	8.0
238.15033	1.8
241.08748	2.6
245.04465	2.0
248.20067	2.1
251.07118	3.8
255.06606	21.7
255.15640	1.8
261.03839	2.4
266.21210	2.4
269.08148	4.7
271.06024	5.8
272.06479	4.1
273.07605	100.0
297.07593	6.8
315.08673	12.4
335.09012	2.1
339.08591	4.2
340.24673	4.8
341.25104	2.5
360.42587	1.8
363.08826	2.1
365.04889	1.6
381.09683	5.7
402.26270	3.7
476.30072	24.2
477.30557	21.5
520.32776	37.2
521.20483	2.6
521.33502	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	520.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	0.8
69.56937	1.8
70.06590	0.6
72.08186	0.4
73.02919	0.4
73.06564	1.8
86.09718	0.3
87.03935	0.3
87.04478	9.7
89.06040	100.0
91.05492	0.5
103.50488	0.3
107.07092	1.9
117.09138	0.7
130.08678	0.7
131.07060	3.0
133.08615	62.7
135.10179	0.4
137.05954	0.3
151.09595	0.3
164.07082	0.3
175.09677	1.7
177.11241	25.5
179.12871	0.5
195.12228	0.3
219.12405	0.6
221.13866	4.7
221.15933	0.2
239.14836	0.9
265.16525	1.7
271.05920	0.2
272.06418	0.3
273.07227	0.3
283.17471	1.9
309.19058	0.8
327.20148	1.0
353.21713	0.5
371.22610	0.9
397.24460	0.5
415.25296	1.2
448.69174	0.2
459.28152	1.9
503.30707	14.2
504.30829	0.3
520.22113	0.5
520.33154	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
56.05037	0.6
57.03432	0.1
58.06319	0.1
58.06636	0.6
59.07399	0.1
60.08165	5.9
67.05503	0.5
69.07073	0.3
69.70570	0.2
69.70985	0.2
71.07375	2.7
78.39271	0.1
79.05496	0.2
80.97440	0.1
81.07059	0.5
83.08633	0.1
86.09710	28.7
91.05470	0.1
93.07033	0.2
95.08601	0.3
98.20843	0.1
98.98470	2.9
104.10749	3.1
105.07054	0.1
107.08564	0.1
109.10204	0.1
121.10147	0.1
125.00011	20.5
128.12910	0.1
143.01120	0.1
162.16196	0.1
166.06256	0.1
184.07347	100.0
185.07695	0.2
258.11108	0.2
276.09531	0.1
337.27496	0.2
453.21429	0.1
502.32980	1.0
520.33997	3.3
521.12030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2938
Annotation	Segetalin G
Peak:m/z	Relative Intensity
55.05512	0.9
57.03438	0.7
60.46967	0.5
67.05499	1.8
68.99822	0.6
69.03437	0.7
69.07079	0.6
71.43822	0.5
73.02904	0.5
79.05498	1.5
81.07059	2.1
83.08646	0.7
85.02911	1.1
85.70179	0.5
91.05444	0.8
93.07056	0.9
95.08607	1.1
97.02917	0.7
97.25232	0.5
97.38099	0.6
98.21552	1.2
98.97548	0.5
105.07011	0.7
109.10180	1.0
110.16996	0.5
119.08549	0.9
127.03883	0.6
133.10214	0.6
137.06023	0.7
137.95195	0.5
143.08664	0.6
184.07307	1.1
224.89793	0.5
229.30356	0.6
269.13910	0.6
271.06006	5.7
283.05945	0.7
291.19797	0.6
292.52008	0.6
299.06281	1.0
313.07111	1.4
323.09045	0.6
337.07068	0.6
409.22186	1.4
415.03149	0.5
427.23486	1.3
445.24399	0.8
501.27313	3.9
519.29266	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77843	1.0
58.29935	0.9
69.86772	4.6
73.04763	1.3
76.82846	0.8
81.30173	1.0
85.02913	2.2
98.21447	1.6
106.06604	4.4
115.05464	0.9
118.06552	21.7
130.06535	64.4
132.08109	5.3
137.06032	0.8
142.06555	2.8
143.07335	2.2
144.08095	12.6
145.77223	0.8
146.06017	66.7
159.09230	4.9
167.05492	2.1
170.06039	3.9
178.27953	0.8
188.07082	99.6
195.09264	1.0
205.09738	53.6
207.09219	3.6
209.10847	1.9
221.10748	29.3
222.11534	15.2
223.12314	23.4
224.13048	1.0
225.04176	0.9
239.11809	26.4
254.14186	9.7
263.42001	0.9
267.11285	1.0
271.14432	100.0
299.06232	2.9
344.97604	1.3
405.48175	0.9
446.93423	1.1
487.16760	1.6
519.19958	4.3
539.90881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
53.23410	0.5
57.03423	0.5
68.05013	0.6
69.03400	2.2
69.35149	4.4
70.82719	0.5
71.04964	0.5
81.03409	3.8
83.90405	0.5
85.02908	4.2
87.04496	0.5
91.05400	0.9
93.05754	0.9
97.02879	5.4
99.04437	1.0
106.06555	1.3
108.08102	1.8
109.02856	1.7
127.03938	2.8
130.06525	9.8
136.07581	5.3
150.05489	0.5
154.06520	0.7
156.06847	0.6
161.05841	0.6
164.07062	0.8
165.07024	1.1
166.06476	1.4
167.07315	1.1
167.08615	1.1
168.08060	3.0
178.06586	0.5
178.47841	0.4
180.08034	2.4
181.07465	0.7
181.08896	1.5
182.08275	0.7
183.09160	1.1
187.08607	0.6
191.07309	0.6
192.08104	4.6
193.07462	2.6
193.09093	0.9
194.09692	11.1
195.09203	1.6
203.07318	0.6
204.08095	8.5
205.07455	3.2
206.08339	14.0
206.10036	0.8
207.09177	99.6
208.09930	5.8
211.08600	1.0
219.09187	4.8
220.09943	8.5
221.10735	100.0
222.11473	5.7
223.12302	24.9
223.14116	0.3
237.10408	0.5
239.11797	48.6
249.10223	16.3
252.08920	3.9
253.09695	1.6
253.13347	1.5
254.10458	1.2
267.11282	67.4
268.11697	1.3
271.05911	0.9
281.12885	3.4
285.12317	1.0
291.11221	0.7
299.13904	8.4
309.12323	1.9
365.14981	0.8
375.13403	1.2
393.14456	48.5
411.15518	19.6
425.17117	14.4
443.18134	4.7
487.20767	43.7
488.21140	0.9
519.23395	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	519.1503
Annotation	Medicarpin 3-O-(6'-malonylgluclside)
Peak:m/z	Relative Intensity
51.75697	0.4
53.03934	1.7
55.01872	2.0
57.03438	1.2
57.18842	0.6
61.02920	1.6
67.01858	0.7
67.05515	0.7
68.43890	0.4
68.99784	0.9
69.03426	5.6
70.81709	0.9
71.04997	1.0
73.02917	1.8
77.23740	0.5
79.05492	0.6
81.03422	7.3
81.07027	0.5
85.02911	16.2
87.00832	5.2
91.03948	0.7
91.05433	0.9
95.04978	0.5
97.02904	6.1
99.04477	3.1
103.05470	7.7
105.01879	3.3
107.04972	0.8
109.02883	5.9
111.04469	0.8
112.49490	0.5
117.01822	0.7
127.03928	9.1
129.01822	1.0
131.04936	24.5
137.06035	0.9
145.04974	3.8
147.02837	0.6
149.02393	0.6
159.02896	4.9
165.05479	2.0
167.03415	34.6
173.05997	1.9
179.03404	2.2
185.04475	0.6
191.03375	0.7
193.05046	0.7
205.04988	2.9
207.06534	1.1
209.04442	6.1
219.06445	1.1
229.04987	1.1
229.08658	0.6
231.05009	1.2
233.04460	1.7
257.04492	0.9
271.09659	100.0
275.05615	3.1
283.06070	1.2
283.09628	1.7
295.09631	0.5
313.07245	0.7
313.10583	3.4
337.10788	3.6
354.84579	0.5
361.10696	1.1
379.07214	0.9
379.11768	6.3
408.39426	0.5
460.00674	0.5
465.11908	0.8
502.69196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03939	2.0
55.01871	1.8
57.03427	1.0
61.02924	1.0
65.03942	0.4
66.04739	0.3
67.05508	2.2
68.99773	1.1
69.03431	4.7
70.18166	0.6
70.18570	0.5
71.04992	0.7
73.02923	0.9
76.28228	0.2
77.84101	0.2
79.05490	2.3
81.03422	4.5
81.07056	1.9
83.01328	0.3
85.02905	11.5
87.00829	3.8
87.04468	0.4
91.03954	0.3
91.05470	1.3
94.04189	0.8
95.04965	3.5
95.08623	0.5
97.02892	3.1
99.04457	2.2
103.03915	0.3
105.01854	3.0
105.03424	0.4
105.04499	0.3
105.07034	0.4
107.04955	0.8
109.02882	5.0
109.06510	7.3
117.01845	0.7
119.04964	0.9
119.08603	0.3
121.06541	0.7
123.04428	56.3
125.05972	0.4
127.03911	9.0
129.01837	0.8
133.02766	0.2
133.06474	0.7
135.04427	1.4
137.05975	100.0
138.06305	0.4
145.04958	3.0
147.04408	14.1
149.02332	0.3
149.06030	1.2
159.02890	3.2
161.05977	5.0
161.13135	0.2
162.06747	0.6
163.03909	2.9
165.05467	1.2
165.06822	0.3
171.04401	0.6
177.04124	0.3
177.05452	1.8
179.07089	0.3
185.05907	0.3
189.03929	0.6
189.05496	1.0
191.07048	0.2
201.09084	0.3
211.07504	0.4
213.03877	0.3
213.09221	0.3
225.09239	0.4
231.04982	1.6
243.10081	1.3
253.08519	0.3
256.07281	0.3
269.08047	1.2
270.08646	0.4
271.06116	3.1
271.09619	25.6
283.06082	0.6
283.09659	1.1
284.75201	0.2
295.06256	0.3
295.09628	1.2
307.09674	0.3
313.06970	1.0
313.10660	2.3
323.09204	0.3
337.10562	0.9
361.10678	0.4
379.11948	1.7
443.20917	0.2
519.24402	0.3
532.60577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.114
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
67.01839	0.4
68.29790	0.1
68.63472	0.1
68.99773	0.3
69.03425	0.1
70.29082	0.1
70.68783	0.2
70.69125	0.2
81.03403	0.1
85.02856	0.2
86.00737	0.1
91.05464	0.2
100.72681	0.1
110.61279	0.1
114.86776	0.1
119.04952	1.4
121.02847	0.4
127.03871	0.1
129.01839	0.2
137.05997	0.1
145.02824	0.4
153.01833	3.6
163.03867	0.3
171.02882	0.3
187.03960	0.2
198.68559	0.1
202.08125	0.1
203.07202	0.2
225.05479	0.3
226.36279	0.1
229.05055	0.2
243.06604	0.3
247.06216	0.1
271.06015	100.0
272.06259	0.7
283.05933	0.1
289.32761	0.1
301.07309	0.1
313.07050	0.4
338.18411	0.1
379.08069	0.2
415.05557	0.1
433.11407	1.8
483.09048	0.1
501.10001	0.2
519.11395	3.7
519.19031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1501
Annotation	Medicarpin 3-O-(6'-malonylgluclside)
Peak:m/z	Relative Intensity
53.03948	3.8
55.01873	3.9
57.03437	2.9
61.02931	2.3
68.03915	0.3
68.99800	2.9
69.03432	13.0
69.29897	0.5
69.30302	2.5
71.01379	0.6
71.04641	0.3
71.04983	2.0
73.02918	4.1
76.42570	0.3
79.05495	0.4
81.03423	17.1
83.01333	0.5
85.02910	31.7
86.03218	0.3
86.12386	0.3
87.00836	12.8
87.04445	0.3
91.03960	1.6
95.04948	1.1
97.02902	10.9
99.03832	0.5
99.04460	8.0
101.02333	0.4
103.03934	1.6
105.01876	8.4
107.04982	0.3
109.02885	17.3
109.06541	0.7
115.03889	0.5
117.01859	2.3
121.06507	1.5
125.06059	0.4
127.03925	27.8
128.06242	0.4
129.01859	2.6
133.06497	0.9
135.04443	2.9
137.05981	6.2
145.04965	10.5
145.06407	0.9
147.02884	2.5
148.05194	0.9
149.05991	0.7
150.73465	0.3
151.03912	6.0
153.07005	0.7
157.06491	0.7
159.02902	12.1
159.08038	0.5
160.08932	0.4
161.05994	5.8
162.09029	0.3
163.03915	12.2
165.07001	0.3
168.05698	2.2
169.06558	0.7
172.08849	1.1
175.07594	0.4
177.04001	0.7
177.05492	0.8
181.06528	0.5
182.07364	0.4
183.08038	3.5
184.08832	0.7
185.06020	1.3
187.07593	0.6
189.03922	1.7
189.05490	7.3
196.05234	0.7
197.05920	0.7
197.09608	0.5
198.06790	0.5
199.07637	1.4
200.08324	6.9
203.06961	0.4
210.06807	0.5
211.07559	8.6
212.08313	1.9
213.03842	0.6
213.05566	0.9
215.07146	0.3
215.10654	1.3
224.08295	0.6
225.09061	0.8
227.07051	1.4
227.10672	0.5
228.07808	7.9
231.05008	4.2
235.07542	0.5
237.09048	0.6
238.06190	0.4
240.07874	1.1
241.08612	1.0
243.10179	100.0
244.10571	0.4
249.05479	0.7
252.07782	0.8
253.08548	0.7
255.06467	2.9
255.10304	0.5
256.06931	1.2
257.11911	0.3
261.08972	0.3
264.07736	1.8
266.05753	0.7
267.06854	0.4
267.10013	1.5
268.07266	0.4
269.08148	0.9
270.08893	3.7
271.09647	63.4
272.10156	0.4
280.07465	1.0
281.08139	4.2
283.09659	5.7
285.11221	3.0
293.08163	0.3
294.08981	0.5
295.06595	0.4
295.09671	10.0
295.12708	0.4
297.07684	0.5
297.11111	0.5
307.09708	1.6
309.07684	0.6
309.11105	0.7
313.10706	13.7
319.09613	0.9
321.07755	0.5
323.09174	1.0
325.10748	1.4
333.11215	2.3
337.10657	3.4
351.12283	1.0
361.10681	4.4
379.07425	0.5
379.11850	5.9
397.12912	1.4
439.14038	1.5
465.11893	0.9
483.12927	3.1
501.14426	0.7
504.27646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1138
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
60.00113	0.9
68.99800	2.4
70.58565	2.6
81.03424	2.2
85.02921	5.1
87.00844	1.6
91.05502	1.6
109.02907	1.6
119.04951	4.0
120.56628	0.9
121.02866	9.3
121.92602	0.8
129.01849	1.6
141.01836	1.1
145.02869	3.3
149.02356	3.9
153.01906	1.2
163.03897	5.4
165.01834	13.5
167.03438	3.5
177.01872	2.8
179.03294	1.5
183.02887	2.3
187.03931	3.7
189.01776	1.7
191.03404	1.7
195.02969	2.9
205.04958	2.3
215.03354	2.1
229.05042	2.1
231.10580	0.9
239.07092	2.2
242.05786	2.0
243.02811	1.7
255.06606	1.2
256.07401	1.2
267.06528	11.0
270.05237	4.5
271.05927	5.1
277.08606	1.0
279.06570	4.3
281.08099	10.7
283.06030	65.0
284.06784	12.2
285.07507	0.9
294.05133	1.2
295.06061	19.8
295.09628	4.7
297.04074	1.6
297.07553	3.3
305.08099	5.5
307.06030	3.5
308.06866	5.7
309.04077	1.4
309.07559	29.5
311.05634	2.5
313.07062	100.0
314.07303	1.9
323.09128	25.9
333.07590	10.8
335.05478	1.7
337.07062	59.9
338.07410	1.4
351.08588	5.6
361.07071	11.9
367.08179	1.8
379.08139	62.0
380.08344	1.3
397.04776	1.1
397.09091	6.8
404.49274	0.9
415.10324	4.6
415.42758	1.1
421.09048	2.0
439.10315	4.6
457.11618	0.9
465.08246	2.6
467.51154	1.0
483.09244	43.7
501.03366	1.0
501.10358	18.2
519.11407	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	519.1135
Annotation	Apigenin 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.24063	0.2
54.36022	0.2
68.99776	0.3
69.03447	0.2
69.53276	1.1
85.02914	0.4
91.05473	0.9
109.02795	0.3
111.00819	0.3
119.04957	0.5
121.02827	0.3
127.03959	0.4
131.04967	0.3
141.07025	0.3
145.02885	1.1
147.07974	0.4
149.02382	2.3
153.01840	5.3
159.03088	0.3
159.04465	0.8
165.01826	0.5
169.06465	0.7
173.05994	0.2
175.07545	0.2
187.07573	0.2
188.58159	0.2
197.06017	0.9
215.07031	5.3
225.05443	0.5
243.06560	3.6
253.05054	1.5
271.06021	100.0
272.06302	1.1
313.07114	0.5
322.12646	0.2
433.11340	0.4
519.11249	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99764	1.4
69.03400	0.9
70.89455	1.4
72.41111	0.7
79.01844	1.0
81.03352	1.1
85.02920	4.6
87.00803	1.4
91.05445	1.0
103.03905	1.3
109.02847	1.0
119.04954	4.4
121.02025	0.8
121.02867	14.1
129.01788	0.7
137.02240	0.8
141.01810	0.7
145.02811	2.6
147.04344	0.8
149.02290	2.2
149.37987	0.9
163.03851	2.2
165.00545	0.9
165.01848	13.8
167.03403	1.9
172.11909	0.7
177.01704	1.5
183.02890	3.7
187.03894	3.1
189.01845	1.3
189.04004	1.1
191.03406	1.0
195.02882	2.3
201.24342	0.7
205.04988	1.1
211.07423	1.8
213.05461	2.7
215.03484	0.9
217.05002	0.8
227.06990	1.3
243.02863	1.9
247.24959	0.9
255.06499	4.5
256.07294	6.6
267.06561	2.9
270.05209	2.0
271.06046	7.3
281.08047	1.4
283.06033	86.5
284.06818	28.3
285.07626	1.8
287.92316	0.8
295.06042	32.8
295.09305	1.6
297.07608	11.6
305.08026	2.5
307.05991	2.8
308.06708	2.6
309.04178	1.7
309.07443	6.0
311.05490	2.8
313.07074	100.0
314.07083	1.1
321.07520	3.7
323.05624	1.1
323.09119	12.7
325.07083	3.7
327.08441	1.2
333.07480	3.3
337.07068	16.7
343.08221	3.3
349.07034	11.2
351.08572	3.6
355.08231	1.0
361.07132	5.7
367.08200	9.9
379.08142	16.5
397.09268	8.6
415.10123	1.9
433.11319	2.1
439.10321	8.0
457.11304	5.0
475.12399	4.1
483.09326	7.4
491.55182	0.8
501.10324	18.6
519.11407	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	519.1134
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
61.31089	0.1
65.46130	0.1
68.99789	0.2
69.19098	1.3
70.06590	0.2
71.05045	0.1
73.02920	0.9
81.03425	0.3
85.02921	0.1
86.09703	0.1
89.03963	0.2
96.19245	0.1
99.04460	0.2
105.03383	0.4
117.05467	0.2
118.05921	0.1
131.04887	0.1
131.07039	0.3
131.08618	0.2
133.02841	0.2
133.08595	0.1
135.04443	0.3
137.02347	6.5
137.05991	0.2
139.64149	0.1
141.06992	1.0
145.02856	0.2
145.06551	0.3
147.04401	0.2
159.08052	0.2
161.02332	1.1
163.03979	0.2
169.06470	1.4
173.06018	0.4
175.03876	0.2
177.05469	0.2
181.06534	0.9
183.04417	0.5
187.07526	0.9
197.05980	3.0
200.04697	0.3
201.05453	1.4
213.05504	0.2
215.07043	5.9
225.05489	6.4
229.04881	0.1
243.06538	0.8
253.04965	3.4
271.06024	100.0
272.06372	0.8
283.06000	0.1
295.06082	0.2
299.06216	0.2
304.16956	0.1
313.07263	0.2
325.07086	0.2
399.07007	0.2
519.11127	1.2
519.17981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
57.32457	0.3
57.65659	0.4
65.97451	0.4
69.03414	1.6
70.06579	1.6
71.04976	0.5
71.55585	0.6
72.08145	0.6
76.16738	0.3
78.04700	0.4
78.69463	0.3
81.03414	4.3
85.02891	1.6
86.09704	1.6
89.03921	5.4
91.05462	1.3
97.02887	0.9
99.04469	0.7
103.05470	0.3
105.07026	0.5
107.04935	0.4
109.02852	1.5
115.05453	1.3
117.03382	17.8
117.07022	8.0
119.04931	0.6
121.02877	0.5
124.07565	0.7
127.03930	1.0
131.77252	0.3
133.06519	0.5
134.03598	1.3
135.04416	1.2
137.05983	3.4
145.02847	51.8
145.06483	14.1
147.04408	0.8
149.05977	6.3
151.07533	1.7
151.95337	0.3
158.99602	0.5
162.03104	0.4
163.03928	0.6
163.07536	16.0
164.06990	0.8
177.05470	100.0
178.05783	0.5
178.08632	4.4
180.10197	47.7
181.10484	0.3
186.05490	0.8
189.44601	0.3
191.07159	0.5
195.06596	0.8
201.12390	0.5
217.11992	0.4
264.10205	0.5
266.11835	0.4
271.05991	1.2
280.13364	0.5
321.09641	5.2
339.10696	4.3
342.15692	0.9
417.09744	0.4
423.15131	0.5
434.12460	0.5
459.17392	0.7
482.18350	0.8
500.19266	0.8
518.20288	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	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.1
56.05035	0.5
57.03418	0.1
58.06626	0.4
59.07399	0.2
60.08165	6.3
63.83620	0.1
67.05505	0.5
69.07056	0.1
70.06589	0.2
70.60702	0.1
70.61043	0.2
71.06972	0.2
71.07375	3.2
71.71130	0.1
79.05514	0.4
81.07052	0.5
83.08625	0.1
86.09708	30.2
87.10039	0.1
91.05495	0.1
93.07045	0.2
95.08622	0.3
98.21398	0.1
98.98467	3.1
104.10747	2.9
107.08613	0.1
108.35481	0.1
109.10133	0.1
120.96181	0.1
121.10164	0.1
125.00008	20.6
126.46489	0.1
143.00972	0.1
166.06268	0.1
176.99931	0.1
184.07344	100.0
185.07697	0.3
258.11124	0.2
500.31357	1.1
518.32416	2.8
531.65192	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	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
55.05498	0.7
56.05040	1.3
57.03438	0.4
58.06581	1.6
59.07371	0.3
60.08166	17.2
66.00352	0.2
67.05503	2.2
69.07056	0.6
69.82870	0.2
69.89923	0.2
70.06596	0.3
71.07379	6.6
71.74184	0.2
75.67368	0.2
78.07048	0.2
79.05493	2.0
81.07056	2.0
86.09709	50.5
91.05489	0.9
93.07053	2.1
95.08590	1.5
98.20708	0.4
98.98469	4.1
104.10747	98.0
105.07019	0.8
105.11040	0.3
107.08585	1.0
109.10189	0.3
119.08570	0.4
121.10143	0.7
125.00008	29.6
131.08551	0.3
133.10109	0.3
135.11708	0.2
163.01579	0.7
166.06390	0.3
181.02719	0.2
184.07346	100.0
256.28320	0.2
258.11050	1.0
331.48563	0.2
335.25781	0.7
441.24234	0.4
483.98425	0.2
500.31363	7.7
501.31799	0.2
518.32452	35.5
519.32819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03947	1.2
55.01894	0.9
55.05269	0.8
55.05516	11.6
57.03441	3.3
57.07085	3.4
59.05005	1.4
65.03930	0.9
67.05505	21.4
68.28719	0.5
69.03452	0.5
69.07072	11.4
71.05001	1.1
71.08637	3.5
79.05061	1.0
79.05492	14.5
81.07059	26.7
83.04964	0.7
83.08613	6.5
85.06549	1.6
85.10181	1.4
89.06035	1.5
91.05478	15.9
93.07048	22.5
95.04978	1.6
95.08611	21.2
97.06516	2.3
97.10152	3.6
97.46017	0.5
105.04544	0.6
105.07032	15.9
107.07868	1.1
107.08594	16.6
107.09296	1.1
109.06533	0.9
109.10158	8.7
111.08075	1.2
113.00032	1.1
117.07006	6.4
119.08588	17.5
119.09472	0.9
121.09303	1.2
121.10141	12.0
123.08099	1.7
123.11715	2.4
125.09612	0.8
129.07059	2.8
131.08571	13.8
131.09521	0.9
133.10141	13.7
135.08043	0.8
135.11705	7.2
137.09694	0.9
141.07039	0.7
141.09236	0.5
143.08556	4.7
145.10123	13.8
147.11691	10.2
149.13290	4.7
155.08562	1.6
157.10138	4.2
159.11697	9.9
161.13225	5.9
162.59158	0.5
163.11043	0.6
163.14830	2.2
165.12711	0.6
169.10162	2.1
171.11687	3.7
173.13271	7.1
175.11244	0.6
175.14789	3.3
177.12791	1.0
177.16385	0.7
183.11708	1.8
184.19986	0.5
185.13300	3.6
187.14827	4.4
189.16331	1.0
193.15962	0.5
195.11739	0.9
197.13293	1.4
199.14838	3.2
201.16429	2.3
205.15981	0.6
209.13367	0.6
209.15428	0.6
211.14873	1.2
213.14677	1.1
213.16409	1.6
215.17947	0.9
219.17526	1.3
227.18121	1.1
229.46780	0.7
231.17639	0.8
239.16353	1.0
241.17966	2.2
241.19963	0.8
245.19127	1.1
259.20520	2.6
263.20053	0.8
273.22165	1.1
285.22266	1.6
287.23679	0.8
293.21118	0.7
299.23688	1.4
301.25171	1.0
303.23196	1.1
305.24609	0.7
313.25308	1.8
315.23041	0.6
317.24908	1.4
327.26740	0.7
331.26636	1.0
333.24255	1.9
335.25507	0.6
357.27771	0.7
373.27094	0.7
377.27081	0.7
391.28372	0.9
402.63181	0.5
405.30109	1.9
407.28503	0.6
407.33109	3.6
425.34155	10.3
443.35336	4.2
459.34467	0.8
461.36771	1.2
499.37814	14.9
517.38904	100.0
518.39240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42567	1.5
55.01867	3.7
55.05511	8.6
57.03429	5.3
57.07077	2.9
61.06835	1.4
65.03951	1.9
67.05512	14.8
69.07076	11.3
71.04996	2.1
71.08625	6.5
71.38824	1.5
71.54765	1.9
79.05503	7.1
81.07061	18.7
83.05001	2.3
83.08629	4.0
85.06506	1.9
88.85723	1.4
91.05469	8.4
93.07040	10.0
95.04940	1.7
95.08616	15.3
97.06535	4.0
97.10150	1.5
99.08076	2.9
105.07050	8.9
107.08604	11.7
109.06536	13.5
109.10159	7.4
111.08062	2.8
113.00024	100.0
117.07059	1.8
119.08586	14.2
121.10174	8.9
123.08080	27.7
123.11721	2.9
125.09618	1.7
129.07030	1.7
131.08563	3.6
133.10146	12.1
135.08070	16.9
135.11661	3.8
141.07072	1.8
145.10114	4.3
146.01344	1.7
147.11693	5.7
149.09587	3.0
149.13235	3.7
157.10155	2.1
159.11682	4.1
161.09625	2.6
161.13318	2.9
165.12766	2.3
173.13255	3.6
175.14857	11.4
177.12735	3.5
179.14320	40.7
187.03659	18.5
193.15833	3.2
205.15924	4.1
217.92862	1.5
263.20184	2.2
275.20056	2.5
289.21567	8.9
303.26770	3.8
308.95715	1.6
319.22745	1.5
331.26328	54.3
349.27502	6.0
359.29489	1.7
361.27579	2.3
369.27734	1.8
375.28909	3.1
387.28922	7.0
405.30017	96.0
499.28201	3.0
517.28906	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	517.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07350	0.1
57.07072	0.5
63.97568	0.2
64.52877	0.1
67.05495	0.4
69.07056	0.2
69.22041	0.2
69.29945	1.4
71.08627	0.4
81.07057	0.4
85.10201	0.2
89.06051	0.3
89.85445	0.2
93.07036	0.3
95.08616	0.3
98.20787	0.3
105.07018	0.4
107.08566	0.2
109.10222	0.2
119.08591	0.2
161.05997	0.2
185.53204	0.2
295.48135	0.2
309.93225	0.2
332.71384	0.2
382.45480	0.2
405.30002	0.3
411.27856	0.2
444.22812	0.2
456.48755	0.2
517.37140	100.0
518.37708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	0.6
60.18508	0.2
62.03366	0.2
67.05492	0.2
68.60053	0.2
69.51871	0.8
69.52273	0.6
71.08621	0.6
81.07079	0.3
85.10195	0.4
89.06055	0.2
95.08590	0.3
101.47870	0.2
104.11614	0.2
109.10181	0.3
113.00063	0.4
129.49477	0.2
133.08646	0.2
141.80898	0.2
199.64449	0.2
286.69440	0.2
331.26364	0.3
331.47351	0.2
359.24686	0.2
386.22812	0.2
405.30014	0.2
437.44455	0.2
490.45212	0.3
517.37152	100.0
518.37360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23956	0.3
67.06220	0.4
71.06017	0.4
71.06369	0.6
71.79153	0.3
506.32397	0.4
515.39246	100.0
516.39319	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.135
Annotation	Formononetin 7-O-glucoside-6''-malonate
Peak:m/z	Relative Intensity
52.60084	0.1
53.03955	0.1
53.98035	0.1
54.68760	0.1
55.01877	0.2
56.96551	0.1
60.48962	0.1
68.99783	0.1
69.03427	0.3
70.55384	0.1
70.75130	0.2
70.75497	0.2
73.02893	0.2
79.05489	0.2
81.03411	0.3
81.07064	0.1
85.02901	0.3
91.05478	0.2
95.08591	0.1
98.97566	0.1
103.05497	0.1
105.07035	0.2
107.04958	1.5
108.02081	0.1
109.02898	0.1
118.04167	2.3
118.05020	0.1
127.03888	0.1
131.04858	0.1
133.02849	0.3
133.06487	0.4
136.01572	0.5
137.02330	1.0
137.05975	0.7
147.04379	0.2
153.06905	0.1
154.02652	0.9
155.08540	0.1
156.05676	0.2
158.07320	0.2
163.03923	0.3
170.07243	0.2
177.05440	0.1
181.06477	0.6
182.07260	0.3
195.08057	0.1
197.05963	1.0
198.06775	0.8
199.07455	0.1
200.04871	0.1
201.05467	0.3
209.05882	0.1
210.54869	0.1
213.09125	5.3
225.05463	0.5
226.06255	2.6
233.18987	0.1
234.06770	0.1
237.05472	4.2
238.05879	0.1
239.07071	0.1
241.08592	0.3
253.04980	3.8
254.05756	5.4
260.20743	0.1
267.06625	0.1
269.08090	100.0
270.08459	0.7
277.08612	0.2
290.05765	0.1
292.48984	0.1
305.08163	0.2
309.92255	0.1
325.10696	0.1
337.10510	0.5
337.16672	0.2
355.11597	0.2
431.21130	0.1
485.15234	0.1
517.12823	0.8
517.29443	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.6
55.05511	21.8
57.03459	8.1
61.02927	11.7
67.05508	77.2
69.03418	12.5
69.07073	22.9
73.02883	7.0
79.05497	53.8
81.03423	7.8
81.07069	100.0
83.04971	6.8
83.08618	17.2
85.02916	11.6
91.03975	7.4
91.05478	34.2
93.07047	71.6
95.04983	10.6
95.08611	71.3
97.02881	11.5
97.10141	6.1
98.21522	10.5
99.08067	7.4
105.07030	29.8
107.08606	38.7
109.06550	6.0
109.10166	37.7
111.08160	6.4
117.07008	18.1
119.08574	33.0
121.06520	5.0
121.10169	25.8
123.08076	7.1
123.11726	15.0
129.06981	8.0
131.08565	28.7
133.10152	21.8
135.11705	27.1
137.13234	6.4
145.10146	23.1
147.08098	6.5
147.11691	20.6
149.13268	25.8
159.11699	23.4
161.09758	6.7
161.13225	9.8
163.11163	7.0
163.14804	7.4
171.11800	8.6
173.13232	19.7
175.11244	5.4
177.16628	6.4
184.07332	6.5
186.37747	5.7
243.21053	18.3
247.08841	5.4
261.22137	48.2
335.25821	9.7
341.24884	6.6
345.02805	5.4
353.26962	21.3
358.16348	7.7
358.66797	10.2
369.24252	10.2
387.25308	13.7
405.26416	10.3
419.28018	6.8
461.28638	6.6
479.30307	9.2
497.30856	12.8
515.24316	20.5
515.37494	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	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10856	1.7
53.03932	5.2
55.01867	3.8
55.05507	15.0
56.62477	1.6
56.88832	1.6
57.03422	7.4
57.07061	6.6
61.02907	3.3
65.03928	2.2
67.05507	79.9
69.03417	7.4
69.07072	14.7
70.34300	2.1
70.34623	5.6
71.05003	2.7
71.08645	2.1
73.02908	3.4
79.05069	3.0
79.05500	51.9
81.03400	6.8
81.07061	89.6
81.31177	2.1
83.04994	2.5
83.08617	8.7
85.02897	6.9
85.06553	3.0
89.05997	2.0
91.05492	31.5
93.06477	3.1
93.07048	59.1
95.04957	6.4
95.08614	63.0
97.02877	3.1
97.06542	2.9
97.10151	5.3
99.08082	3.5
103.86531	2.0
105.07035	24.4
107.04952	3.8
107.08596	41.0
109.06504	3.5
109.10158	37.2
111.08136	2.8
117.07037	14.5
119.08580	20.9
121.06493	2.3
121.09301	3.3
121.10146	35.6
123.08092	4.6
123.11713	15.9
131.08559	24.9
133.10138	20.9
135.11694	34.2
137.09621	3.5
137.13232	7.3
139.11227	2.4
143.08540	3.1
145.10135	22.9
147.11694	17.5
149.13258	23.2
151.14877	3.2
155.08516	2.3
157.10144	4.1
159.11700	22.2
161.13283	15.6
163.11226	4.2
163.14816	14.8
165.09007	2.0
165.12805	2.8
171.11687	3.6
173.13293	19.0
175.11250	2.1
175.14873	4.7
177.12785	2.2
177.16382	6.4
179.14304	3.6
185.13330	2.3
187.14781	9.0
191.14386	2.2
197.13342	2.5
199.14687	2.0
201.16385	5.2
205.15927	3.1
233.22699	3.1
243.21056	27.4
261.22150	100.0
279.23135	3.1
301.21741	2.7
303.23285	3.9
319.22986	2.4
335.25861	12.6
345.24158	2.9
353.26926	20.3
369.24234	5.1
377.26895	3.6
387.25406	2.5
405.26160	4.7
443.27820	3.5
461.28867	3.3
479.30008	3.4
488.12949	2.0
497.31110	9.5
515.36566	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01867	3.2
55.05513	18.5
56.29320	1.5
57.03453	10.1
57.07096	3.7
61.02919	4.7
62.91620	1.6
65.03955	3.4
67.05511	97.8
69.03419	5.6
69.07074	14.8
69.28229	13.2
71.04988	4.9
79.05065	3.4
79.05502	52.6
81.03411	4.5
81.07064	100.0
83.04983	4.1
83.08618	10.5
85.02905	7.6
85.06556	3.7
91.05489	34.6
93.07050	71.5
95.04964	6.6
95.08614	78.1
97.02885	5.0
97.06525	4.6
97.10180	4.3
98.21503	4.1
99.08095	5.1
105.07042	25.3
107.08602	43.2
109.02913	1.9
109.06534	4.5
109.10163	44.5
111.08073	4.0
117.07040	14.3
119.08584	20.8
121.06527	2.8
121.10168	36.5
123.08076	3.3
123.11713	21.4
125.09647	2.1
129.07005	1.8
130.07802	1.4
131.08575	24.4
133.10139	22.0
135.08086	2.7
135.11697	30.1
137.09663	2.5
137.13303	7.9
139.11212	2.5
145.10130	20.8
147.11679	18.0
149.09642	3.6
149.13274	22.9
151.07640	1.5
151.14816	2.5
153.12781	2.5
156.97319	1.5
157.10101	2.4
159.11725	17.3
161.13283	14.4
163.07523	1.8
163.11208	1.4
163.14841	13.5
165.12813	3.0
171.11722	2.8
173.13266	19.1
175.14856	5.4
177.12831	2.4
177.16435	4.2
179.14308	3.3
179.76070	1.6
183.11777	1.7
187.14792	9.7
189.12865	2.1
189.16418	1.7
191.14333	2.0
201.16364	4.6
205.15831	2.5
233.22650	3.4
243.21075	26.7
261.22177	74.2
273.22159	1.5
277.21368	2.5
279.23251	6.0
301.21460	2.0
335.25845	29.1
345.24341	2.3
353.26898	23.3
369.24091	3.8
377.27032	2.2
387.25504	3.6
405.26605	2.8
419.28058	5.5
443.28214	2.1
461.29019	4.8
479.29996	3.5
497.31198	9.1
515.37134	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.3
57.03440	1.9
57.06826	1.6
57.07081	16.8
61.02916	2.4
61.44175	1.4
67.05492	3.8
69.07063	4.7
71.08636	34.1
71.56915	2.2
71.57309	1.8
73.06563	6.9
79.05486	2.4
81.07045	5.9
83.08638	1.8
85.10187	22.9
86.09731	1.9
87.04465	4.8
89.06036	100.0
91.03946	1.6
91.05481	2.7
93.07021	3.6
95.08591	1.8
95.39546	1.5
105.07028	3.0
107.07043	2.0
107.08574	2.0
110.62057	1.2
117.09155	2.8
127.14835	5.1
130.08632	3.3
133.08612	57.2
143.37738	1.5
147.11652	2.3
149.13297	2.0
171.17442	4.5
177.11244	24.7
215.20120	13.1
221.13829	4.2
239.14902	1.9
259.22757	7.2
267.15671	1.9
269.17532	2.7
283.17587	2.3
285.16843	1.8
327.20203	1.8
348.99216	1.5
371.22736	11.8
443.77475	1.6
443.86185	1.6
479.30038	5.3
497.36887	17.8
514.37738	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.5
57.58856	0.8
59.03002	0.8
59.77880	0.8
61.32396	0.7
69.03421	2.5
71.54919	1.4
82.99863	2.0
85.02916	4.9
88.81996	0.7
89.11859	0.8
91.05494	1.3
96.44077	0.8
97.02905	6.5
98.97589	4.0
101.00888	10.5
103.00635	0.9
104.07115	1.7
110.97614	1.7
113.00854	1.7
115.02461	1.1
119.01921	10.7
127.02434	11.9
127.03857	1.5
128.98576	1.3
131.01906	5.2
133.03464	1.2
133.06119	2.3
136.06200	2.6
137.05966	3.1
138.06331	1.5
139.02434	2.2
143.01900	20.4
145.01723	1.6
145.03474	28.8
145.04688	1.4
154.08620	1.3
155.01913	16.2
157.03482	11.7
158.99596	1.8
159.05103	0.9
161.02986	14.8
163.04579	1.3
164.64157	0.9
167.01929	10.7
169.03542	4.4
169.04709	0.8
170.99689	1.4
171.05020	1.6
172.97609	1.0
173.02965	22.2
175.04561	2.7
179.01933	5.2
181.03406	1.7
185.02980	32.9
187.02794	1.7
187.04529	4.0
190.98663	1.8
191.03999	12.2
197.02962	12.6
199.04544	1.7
201.00702	2.8
201.67976	0.8
203.03990	9.6
208.99655	1.2
209.03105	1.5
209.05028	0.9
211.04536	0.8
214.98724	0.8
215.04054	7.6
219.01701	3.2
221.05017	2.6
227.04022	9.1
229.05670	1.0
232.99838	1.5
233.05083	18.7
243.01982	1.1
245.05087	100.0
246.05150	2.0
247.04759	2.3
251.00858	1.2
251.06134	3.1
255.06549	1.3
257.05072	6.0
261.02814	2.2
263.06073	12.6
275.06161	20.1
279.03882	1.7
286.07822	0.9
293.07224	6.6
305.07184	19.1
317.07156	3.7
323.10117	1.4
335.02985	0.9
335.04263	1.2
335.08313	12.3
337.07056	1.2
339.09027	1.1
353.03992	0.9
353.09235	2.9
365.09369	35.8
367.08820	1.2
381.06744	1.1
383.10370	1.2
450.01093	1.1
468.01697	1.6
479.09760	1.7
497.13708	11.0
511.82098	1.1
515.14526	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	513.3063
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
53.69715	1.6
55.01875	4.7
55.05523	12.0
57.03442	9.6
59.04999	1.4
61.02946	1.9
67.05508	34.0
69.07066	13.2
69.20280	10.0
69.20706	6.0
71.04993	4.7
73.54564	1.7
79.05486	14.8
81.07063	78.4
83.04977	5.6
83.08627	8.2
85.06536	4.1
86.09660	1.6
87.26672	1.7
91.05490	24.2
93.07059	13.1
95.04960	3.6
95.08613	23.3
97.06535	5.6
97.10143	2.1
98.97596	2.3
99.08065	3.8
101.05940	1.7
105.07037	30.1
107.08590	14.1
109.06533	3.8
109.10165	1.8
119.08578	28.2
119.09363	2.5
121.10151	19.1
123.08062	5.4
123.11720	30.5
125.09641	1.7
127.07533	4.5
133.10132	2.8
137.13261	2.5
147.11699	63.4
157.10158	1.9
165.12759	35.4
183.13879	4.6
184.07339	3.0
193.12302	2.0
229.14456	7.5
243.93094	1.8
267.15927	100.0
273.65964	1.7
281.15741	1.7
285.16971	72.1
292.65900	1.6
321.17822	1.7
376.88281	1.9
421.75806	1.8
449.28946	2.3
453.08276	2.8
477.28354	20.0
490.72931	1.9
492.47220	1.8
495.29532	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	513.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.9
57.03432	4.1
57.07079	97.8
58.04227	7.7
59.05006	47.6
67.05503	1.5
69.07069	5.6
69.31475	9.6
69.31879	1.7
71.04988	1.3
71.08635	100.0
72.05779	3.6
73.02918	4.1
73.06552	3.6
81.07046	1.9
82.15192	1.1
83.08620	4.5
85.10186	91.7
86.07336	1.8
87.04472	9.4
87.08114	3.1
88.05274	2.3
88.07627	4.5
89.06024	11.2
90.01395	2.3
90.01923	30.2
95.08613	2.0
97.10184	3.7
99.11733	9.5
101.05987	1.8
101.09634	2.6
102.05563	1.7
102.09178	2.1
103.07587	3.5
111.11741	1.5
117.09139	12.5
122.26233	1.3
133.08632	4.4
141.16362	10.4
159.10182	1.8
161.11731	1.2
169.15881	3.8
178.07138	3.0
193.14349	1.6
198.19786	2.7
199.20586	21.3
222.09795	7.9
223.15372	4.0
230.91345	1.4
240.10768	4.2
256.26309	3.1
257.24466	10.3
257.27087	2.7
280.13834	1.5
283.26385	4.5
284.26730	3.5
362.32703	2.6
423.62125	1.4
513.37048	4.2
513.50659	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01869	3.5
55.05511	13.0
56.96554	2.9
57.03431	5.2
57.07076	4.5
61.02935	18.9
61.32224	2.2
67.05233	2.4
67.05512	28.6
69.03413	7.3
69.07056	10.1
69.94659	7.5
69.95070	6.3
70.36977	2.1
71.04960	3.8
73.02904	8.9
79.05068	3.1
79.05497	39.3
81.03410	7.0
81.07062	35.4
83.08607	5.7
85.02895	17.6
89.02396	3.8
91.03931	7.1
91.05476	37.5
92.05786	3.3
93.07046	45.4
95.04968	4.0
95.08616	23.6
97.02882	11.3
97.06518	5.5
98.97584	4.0
105.07036	43.5
107.04916	2.8
107.08620	24.2
109.10156	10.2
111.19714	2.7
117.07005	11.7
119.08597	33.0
121.06507	3.4
121.10148	23.3
123.11768	3.7
127.03876	4.2
129.06976	8.0
131.08556	20.2
133.10130	30.3
135.11703	22.8
143.08548	6.3
145.10120	17.0
147.11676	35.1
149.09647	3.5
149.13272	14.4
157.10127	9.1
159.11676	14.0
161.13269	21.9
163.14838	6.2
171.11668	10.4
173.13254	8.1
175.14857	12.3
179.14336	2.9
185.13263	9.7
187.14821	3.8
199.14833	4.7
215.17909	2.5
217.19553	3.2
231.21057	7.2
241.19527	21.3
259.20578	58.1
275.19861	2.5
277.21265	2.6
331.04474	2.5
333.24225	3.0
349.23846	5.0
351.25320	100.0
357.25174	3.0
362.76611	3.1
363.25287	4.6
441.26410	6.5
453.08115	4.7
459.27380	3.3
495.29410	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	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
55.05507	9.6
56.96566	4.7
57.03417	12.5
57.07059	4.2
59.33593	3.6
61.02909	14.6
63.22174	3.6
63.27291	3.9
63.98547	3.4
67.05501	36.0
69.03426	9.8
69.07049	16.9
71.27929	3.4
71.56289	6.1
73.02915	9.5
74.46671	3.8
75.97003	4.2
79.05499	41.8
81.03412	6.1
81.07061	61.9
83.04957	5.9
83.08617	6.3
85.02905	21.0
85.06548	7.7
91.03952	8.7
91.05477	38.6
93.07046	45.5
95.04958	8.4
95.08613	29.2
97.02878	8.1
98.97565	7.7
105.07036	45.4
107.08604	25.2
109.06490	6.5
109.10146	12.2
117.07005	12.9
119.08576	37.6
121.10117	31.7
123.11679	12.6
126.56760	4.3
127.03911	5.1
129.06998	6.1
131.08575	14.2
133.10104	27.0
135.11688	15.8
137.05977	9.0
143.08563	6.7
145.10103	16.5
147.07964	4.6
147.11691	41.8
149.13234	13.1
150.37645	4.0
157.10081	11.6
159.11697	10.9
161.09613	6.0
161.13240	21.3
165.12717	13.2
168.51126	4.3
171.11696	6.7
173.13255	14.2
175.11304	3.9
175.14799	14.8
183.13640	4.1
185.13211	8.3
241.19525	20.3
259.20627	50.9
267.15897	31.4
277.21738	4.9
285.16953	16.8
315.59598	4.0
333.24097	12.8
349.23615	5.5
351.25290	100.0
393.54404	4.1
441.26740	5.1
459.26926	5.8
477.28345	7.7
482.01013	4.1
495.29214	16.6
513.33313	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01872	1.7
55.05519	7.1
57.03444	5.5
57.07069	2.4
61.02932	12.1
65.03944	1.2
67.05175	1.4
67.05511	22.2
67.53094	1.1
69.03429	3.8
69.07071	9.5
69.20778	1.0
69.61754	6.0
71.01365	1.2
71.04992	3.2
72.64600	1.2
73.02924	4.2
79.05063	2.2
79.05499	30.6
81.03427	4.0
81.07066	27.9
83.04970	1.8
83.08619	4.9
85.02911	12.0
85.06541	2.1
91.03985	5.3
91.04611	1.1
91.05489	25.6
93.06468	2.6
93.07052	45.1
95.04957	2.2
95.08618	19.4
97.02882	5.9
97.06513	2.1
97.10188	1.9
99.08105	1.4
103.64498	1.3
105.07039	30.9
107.04990	1.6
107.08602	26.4
108.37714	1.1
109.02851	1.2
109.06510	1.6
109.10147	7.6
111.08099	2.1
117.07032	7.6
119.08594	26.9
119.64824	1.3
121.10143	22.4
123.08099	1.4
123.11723	2.4
129.06996	4.8
131.08585	10.5
133.10141	26.9
135.08099	1.7
135.11691	18.8
143.08543	6.8
143.91226	1.1
145.10118	16.1
145.36781	1.2
147.11697	20.7
149.09659	2.1
149.13287	13.8
155.08475	1.6
157.10121	7.7
159.11707	13.3
161.13272	18.5
163.11137	1.8
163.14868	4.6
165.12917	1.4
168.24126	1.2
169.10133	2.5
171.11691	8.8
173.13283	6.9
175.11203	1.6
175.14890	8.4
177.12785	2.8
183.11702	1.4
185.13184	6.6
187.14809	4.2
189.12885	1.7
197.13359	1.8
199.14830	3.8
201.16475	1.3
203.14340	1.4
213.16383	1.5
217.15947	1.6
217.19510	2.4
231.21068	3.2
241.19507	21.6
259.20609	45.4
269.10556	1.5
271.20532	1.5
277.21680	5.9
333.24347	6.1
349.23990	2.8
351.25311	100.0
367.22751	3.2
375.25198	2.6
417.26114	1.3
429.25931	1.6
441.26346	5.6
454.87253	1.5
459.27368	5.0
477.28442	2.5
495.29556	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	512.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.0
57.07079	100.0
58.41260	1.1
59.05003	15.4
69.07061	2.0
69.67319	4.6
71.08636	63.8
73.06557	2.0
77.17506	0.9
83.08610	1.3
83.25462	1.0
85.10185	62.1
87.04462	3.7
89.06035	74.4
95.08588	1.1
97.10170	1.0
99.11740	10.1
103.07580	4.5
113.13276	3.6
117.09132	1.5
131.06985	2.4
133.08609	47.2
144.07124	1.0
153.33376	1.0
155.17946	8.0
175.09625	1.8
177.11218	31.5
191.15338	1.0
195.12360	1.3
195.20982	0.9
213.22141	9.7
221.13863	3.4
229.00223	1.0
239.14902	1.5
256.26443	1.8
257.24811	6.8
265.16473	3.7
283.17545	30.6
283.26245	2.3
323.20633	5.7
327.20221	1.4
341.21667	3.1
495.39111	9.7
512.41437	2.2
512.50159	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.5
57.03429	5.0
57.03672	1.2
57.07081	10.3
59.04994	1.7
63.08813	1.2
63.93973	1.5
67.05505	13.0
69.07076	19.3
71.08639	8.5
71.56223	1.4
71.56731	1.9
79.05492	4.9
81.07057	11.3
83.08633	15.4
85.10186	4.4
85.50948	1.4
93.07043	4.6
95.08611	10.2
97.06496	1.4
97.10173	7.7
98.98477	23.6
107.08585	5.1
108.85406	1.6
109.10161	3.7
111.11747	1.8
121.10164	5.2
123.11708	2.8
125.09642	1.4
131.07132	1.2
135.11690	4.5
155.01042	13.7
173.02121	2.5
206.04239	1.4
216.81596	1.3
256.26550	1.5
265.25363	3.8
284.82190	1.5
339.28964	100.0
419.03714	1.4
475.28290	7.5
511.32681	1.9
511.38437	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	512.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51888	0.8
53.00303	0.9
54.15376	0.9
55.05507	2.0
57.07078	97.3
59.05005	34.1
64.23019	1.1
69.07057	1.8
71.08634	100.0
73.34068	1.0
83.08607	3.1
84.87493	1.0
85.10185	90.7
87.04462	2.9
88.07622	1.2
89.06035	43.1
97.10143	2.1
99.11736	11.0
101.09641	2.7
102.09184	1.0
103.07568	3.2
103.48508	0.9
111.11727	1.4
117.09142	5.6
131.07043	1.6
133.08607	46.7
141.16389	11.8
175.09703	1.9
177.11238	13.1
191.12840	1.9
199.20575	30.1
219.12192	1.1
221.13867	7.4
239.14886	20.3
240.23329	1.1
243.73763	1.0
252.54829	1.0
256.26312	2.0
257.24780	18.3
279.18051	5.6
283.17447	1.4
283.26361	2.0
297.19098	10.4
327.20166	1.8
328.51315	1.0
337.22198	2.5
367.95139	1.0
495.38943	7.2
512.41278	2.7
512.50183	4.2
512.57111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99969	0.8
53.03942	1.8
55.01872	1.1
55.12337	0.9
57.03450	6.3
61.02909	1.1
61.24443	0.7
69.03432	14.4
69.25947	7.4
71.01360	2.3
71.04990	3.9
81.03416	6.0
83.04981	1.4
85.02919	4.0
95.08624	1.6
99.04464	18.1
103.03938	5.4
106.20737	0.8
109.02866	1.9
117.05491	4.6
121.02744	1.0
127.03938	9.0
135.06526	2.8
137.05995	1.4
145.07625	3.3
147.09195	11.2
159.06555	5.8
159.09229	5.5
160.09996	1.3
167.07033	0.8
173.10760	1.0
176.44472	0.9
177.07631	1.0
185.10748	13.9
187.12416	1.1
189.10208	2.1
190.09781	1.5
191.08170	39.9
197.10709	1.3
199.12334	3.0
201.10208	1.9
213.10204	1.1
215.11752	1.8
216.07739	4.4
227.11740	0.9
245.12932	2.8
252.55290	1.0
261.09830	1.0
263.14075	4.6
271.10754	1.0
288.19733	1.0
289.11911	3.8
292.13077	1.1
305.14938	9.1
306.14722	1.3
307.05637	1.1
307.12909	17.2
324.15311	1.0
345.18103	2.0
350.13525	6.4
360.99869	0.9
389.16635	1.0
432.17578	1.4
450.18994	1.3
451.16855	2.0
476.16727	1.2
494.17728	100.0
495.17963	1.9
511.12399	1.5
511.20245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34613	0.2
70.06590	0.3
71.56569	0.2
71.56996	0.2
84.04478	0.4
85.02895	0.4
86.09708	0.2
93.06999	0.2
110.07177	0.4
118.50863	0.2
130.04971	0.3
167.07028	0.6
268.10492	0.4
284.02441	0.3
295.06042	1.0
321.07547	0.5
331.17444	0.3
335.08585	0.3
349.07190	0.5
349.18329	11.0
391.07980	0.3
427.10300	0.9
493.23233	0.3
511.23666	100.0
512.24225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36024	0.8
55.05500	1.8
56.96572	13.2
61.02931	1.2
67.05501	3.0
69.03436	1.5
69.07070	1.8
79.05502	2.0
81.03447	1.0
81.07087	3.5
81.93431	0.6
83.04978	1.0
83.08604	1.0
84.96038	4.6
85.02917	2.6
91.03981	1.3
91.05484	2.9
93.07037	2.1
95.04949	1.1
95.08619	2.6
97.02898	0.7
98.21629	1.0
98.97591	33.5
99.81750	0.7
105.07037	1.5
107.08580	1.7
109.10172	1.8
110.97581	25.3
112.99149	8.5
116.98653	11.8
119.08585	1.6
119.72353	0.6
119.83564	0.6
121.06495	0.7
121.10104	1.2
124.99149	2.4
125.09659	0.6
126.97009	1.0
127.00671	1.6
127.03938	0.8
128.97672	1.6
128.98615	20.4
131.00177	7.5
131.08536	1.3
133.10176	0.9
134.99687	2.7
135.11711	1.3
137.05934	1.1
140.00195	1.9
140.98602	1.1
142.56146	0.7
143.00151	4.9
144.98140	1.4
145.01706	1.3
145.10040	0.7
146.99660	8.4
147.11691	1.3
149.01260	3.5
149.13319	0.7
152.00185	1.7
152.98601	0.9
155.00201	2.8
158.99651	3.4
159.11720	0.8
161.01216	3.0
163.02837	1.1
167.00171	1.4
167.07167	0.7
168.98077	1.4
169.01743	1.5
170.98201	1.3
170.99658	26.9
173.01276	4.1
177.00699	1.9
182.99693	0.7
185.01224	4.8
186.99222	0.8
187.02837	2.6
189.00720	37.9
191.02271	1.1
194.99545	0.8
197.01143	1.0
201.00763	1.4
203.02306	5.9
205.00391	0.7
207.01801	5.6
209.01178	1.0
212.02368	4.9
213.00752	3.1
215.02220	0.9
227.02367	1.8
231.01767	5.7
239.02350	0.8
239.84863	0.7
245.03339	1.6
249.02841	9.3
257.03314	1.5
267.03912	3.3
272.04489	1.1
275.04346	1.0
275.20215	1.2
281.51273	0.7
303.03784	4.0
305.01855	4.6
305.04922	0.8
307.11407	0.8
317.05420	2.2
321.04916	1.4
323.02875	4.2
344.06714	0.9
346.04565	1.8
349.23743	1.2
359.06705	0.9
377.07593	2.9
395.08612	7.7
418.10150	1.5
437.09814	2.2
451.07639	100.0
452.08176	1.1
465.09235	2.3
493.08682	1.5
511.10010	2.4
511.29034	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	510.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16152	1.1
53.10086	1.2
55.05514	2.1
57.03438	5.2
57.07081	100.0
59.05006	84.2
59.14429	1.1
69.07081	3.3
71.08639	96.1
73.93261	1.1
79.05519	1.1
81.07058	1.4
83.08648	2.8
85.10192	82.7
87.04475	2.8
89.06029	6.9
93.86568	1.3
96.12912	1.1
97.10164	3.0
98.21501	3.6
99.08139	2.5
99.11754	10.8
100.07639	1.3
101.06049	3.4
101.09682	10.2
103.07584	7.2
113.13305	2.4
115.07594	3.4
116.55604	1.3
117.09140	27.5
127.85600	1.1
138.26570	1.2
141.16379	11.7
147.10144	2.5
155.18025	1.9
159.13867	1.4
161.11777	4.9
175.13322	2.5
195.39697	1.2
199.20592	23.2
213.22134	3.7
219.15990	3.0
237.16945	1.8
240.23216	2.0
254.24925	1.3
257.24768	29.3
271.26331	4.3
315.29044	3.0
329.30783	1.5
493.40829	9.5
510.48938	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	510.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.7
55.11607	0.8
55.14789	0.8
57.03425	2.5
57.07078	100.0
59.05005	49.9
61.61237	0.9
69.07055	1.4
69.26286	7.4
71.08635	73.8
76.74562	0.8
83.08602	1.4
85.10186	64.7
87.04469	1.5
89.06034	15.8
94.94923	1.0
97.10170	3.2
99.11739	14.3
101.06004	1.5
101.09666	5.2
107.07051	1.8
107.15091	0.9
111.11707	1.0
113.13267	7.2
115.07565	1.2
117.09138	18.2
145.08586	1.3
147.10156	6.2
155.17940	11.9
165.11275	1.6
205.14351	5.0
213.22119	19.4
223.15352	2.2
227.57248	0.9
254.24789	1.4
263.18637	2.2
271.26328	27.5
281.19577	1.2
281.29926	1.2
329.30469	1.9
493.40976	3.8
510.43369	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28580	1.2
55.05507	4.2
57.03429	3.7
57.07078	95.4
59.05005	50.4
67.05502	3.0
69.07054	5.0
69.27721	1.2
71.08635	100.0
71.41128	1.7
73.02921	48.7
81.07072	2.6
83.08618	3.8
85.10187	92.4
87.04472	3.1
87.08108	3.3
89.06036	7.0
93.07047	1.6
95.08621	7.6
97.10201	1.4
99.08112	1.6
99.11727	12.5
101.09653	5.1
103.07558	2.6
117.09120	16.0
117.54501	1.4
133.08572	2.1
141.16379	6.7
147.10191	1.5
155.17891	1.8
161.08098	3.3
175.13382	1.6
185.18961	2.5
199.20561	20.6
205.10684	2.7
209.13802	2.2
215.12801	3.7
219.12341	1.6
243.23201	10.6
257.24789	23.8
301.27319	2.5
315.28830	1.5
333.97787	1.3
335.25735	3.1
475.33978	2.1
510.39935	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	510.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83831	0.6
55.05510	2.6
56.10038	0.8
57.03431	0.8
57.07080	100.0
58.35667	1.0
59.04707	1.8
59.05004	36.5
60.82362	0.8
61.89935	0.7
64.67883	0.8
69.07058	3.6
69.73856	4.8
71.08637	84.9
73.02921	34.6
76.50004	0.8
83.08607	2.2
85.10188	74.1
87.04449	2.8
87.08101	1.7
87.37664	1.1
89.06051	7.8
97.10173	2.0
99.11137	1.0
99.11748	13.5
101.09657	2.8
103.07606	5.0
111.11758	0.9
113.13298	4.7
117.05482	2.4
117.09142	10.7
127.14851	1.3
133.08582	3.0
141.16389	2.4
153.10277	0.8
154.97273	0.8
155.17950	10.2
177.11241	1.7
185.19043	4.1
186.26527	0.7
195.12280	5.9
199.20631	1.2
205.10716	7.8
213.20215	1.6
213.22154	17.6
223.11763	3.1
243.23239	7.8
253.16478	2.6
254.24802	1.3
257.24677	1.5
271.26318	13.6
281.15860	2.0
301.27344	2.4
493.41162	1.6
510.39951	4.8
510.48175	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01878	8.7
55.05512	6.2
56.05022	1.7
56.96568	2.6
57.03439	8.3
58.06606	2.0
58.99593	5.9
60.58575	1.2
61.02937	4.1
67.05515	5.7
69.03433	8.2
69.07066	8.4
70.06604	4.2
71.04994	3.0
71.56761	1.2
72.04517	3.1
72.08181	2.5
73.02917	4.1
76.02233	6.6
79.05497	10.9
81.03422	5.1
81.07059	38.2
81.07516	2.7
83.04988	2.7
83.06109	2.0
83.08648	4.7
84.04507	13.5
84.08161	1.5
85.02905	14.6
86.09713	3.9
86.99059	3.9
87.02702	1.8
90.05576	4.4
91.05497	5.1
93.07058	5.9
95.04926	2.9
95.08608	7.5
97.02885	8.9
97.06558	2.0
98.09700	1.6
98.97618	3.0
99.04482	5.2
99.08091	14.9
103.03952	2.3
103.05465	1.7
104.01704	13.0
105.01997	1.5
105.07062	5.0
106.06574	1.5
107.04968	2.7
107.08587	7.0
109.02906	1.9
109.06545	4.5
109.10152	1.7
111.04445	3.4
111.08127	5.9
114.52372	1.5
115.03978	1.7
116.01671	26.2
119.04973	3.9
121.06560	3.2
121.10169	2.2
123.04459	1.5
123.08079	2.8
125.09674	4.5
126.05532	2.2
127.03976	2.6
129.06664	4.0
129.09164	2.3
130.05026	4.1
131.01653	1.7
131.05025	1.7
133.06531	2.8
134.64655	1.5
135.04395	1.5
135.08084	2.4
136.07565	2.2
137.06020	5.6
141.09129	4.2
142.03284	3.7
147.04424	4.3
147.07579	1.5
147.11740	1.9
150.06747	11.4
151.07596	4.9
153.09085	7.5
158.02719	84.7
159.07729	2.2
162.99130	1.4
164.07094	2.3
165.09123	39.5
165.10484	2.2
167.07123	3.8
171.10159	11.9
176.03775	73.9
179.08673	2.5
191.14362	1.5
192.10284	2.0
193.06517	5.1
195.08130	2.5
207.06580	3.6
207.08276	3.4
209.15382	2.7
210.10487	2.0
212.10773	2.8
214.08781	2.3
224.08513	2.9
226.08609	1.9
229.09030	20.7
229.11118	4.8
231.04877	1.9
235.07661	6.3
236.10806	2.5
239.10759	2.5
240.10333	2.1
241.11205	1.6
242.11830	4.3
247.10036	2.0
252.07953	2.0
253.08633	4.6
254.12090	2.6
256.09900	1.7
257.04086	1.8
264.10287	6.7
264.12875	6.1
265.10986	3.1
267.10147	14.9
267.12393	1.7
270.14874	12.6
272.10333	2.4
272.12915	11.8
273.12650	17.9
280.13382	10.6
282.11478	2.3
284.10373	3.3
298.14395	21.8
298.17557	1.9
299.12979	4.7
300.34799	1.8
317.05991	4.5
330.17007	54.3
345.14578	2.7
346.13443	1.7
348.14304	2.8
348.18042	31.0
348.21991	2.3
363.15970	5.1
364.14236	20.1
381.16925	48.9
391.21991	1.5
421.16479	10.0
492.22400	24.9
510.23444	100.0
511.23712	6.5
513.06891	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03083	0.6
52.95059	0.6
53.02537	0.7
53.03942	3.2
55.01869	3.3
55.05502	0.7
57.03432	3.0
61.02925	2.8
65.03941	1.6
67.05503	1.6
68.99806	0.9
69.03433	10.8
69.07072	1.0
69.19958	6.6
70.06580	1.2
71.04990	2.0
73.02920	4.8
81.03424	10.3
81.07048	1.6
85.02910	26.2
86.09731	0.6
87.00836	11.7
91.05486	100.0
93.07014	1.2
95.08615	1.6
97.02895	26.0
98.97657	1.1
99.04450	5.2
105.01865	10.2
105.07000	0.9
109.02884	8.9
115.03947	0.7
117.01844	1.5
119.04842	0.7
119.08606	0.9
122.09712	0.7
123.04408	0.7
124.07635	2.8
127.03922	26.1
129.01852	2.1
130.15323	0.7
133.10153	0.9
135.11661	0.9
137.05980	1.9
145.04962	16.9
147.02863	0.8
147.11574	0.7
151.07651	1.4
159.02904	8.5
161.06001	1.0
166.59799	0.6
167.03447	1.5
167.07135	0.9
172.04008	0.8
174.05371	0.7
178.08636	0.9
204.06543	0.7
212.72070	0.7
213.04092	0.8
217.08849	0.7
217.46252	0.7
225.10271	1.0
231.05054	3.0
237.10326	1.8
245.08163	2.1
251.11877	2.6
265.09781	2.2
267.11221	1.2
279.11316	2.4
283.85446	0.7
293.09326	2.9
294.10156	0.8
295.10831	1.8
297.12375	2.0
304.09534	0.9
313.12009	1.9
325.11926	3.2
335.10287	1.6
353.11404	10.2
385.14145	0.8
478.19687	6.9
492.22354	0.8
510.22244	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	510.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01859	1.2
55.05506	1.3
55.96025	0.4
57.03429	1.0
61.02921	1.5
65.03943	3.2
67.05504	0.9
69.03433	5.7
69.07054	0.6
70.14931	1.5
70.20104	0.4
71.04992	0.7
73.02911	1.9
81.03430	5.0
81.07076	1.0
83.04982	0.7
83.08624	1.0
85.02911	14.0
87.00838	5.1
91.05489	100.0
93.07022	0.9
95.08610	0.9
97.02898	9.2
98.21431	0.6
98.97614	0.6
99.04457	2.2
100.11273	2.3
105.01869	5.6
105.07049	1.2
107.08617	0.7
109.02874	5.6
109.10123	0.6
109.16589	0.4
117.01835	0.6
117.07043	0.5
119.08631	0.5
121.06593	0.5
123.11706	0.4
127.03934	12.7
129.01857	0.8
133.10153	0.5
135.11739	0.6
137.06013	0.7
145.04976	6.6
145.06273	0.6
145.06462	0.5
151.03996	0.5
159.02931	3.2
163.06311	1.1
167.03452	3.4
171.08003	0.6
175.07545	0.5
178.07260	0.4
178.08650	9.6
182.15453	1.1
184.16968	0.6
195.06554	0.6
213.03995	0.5
217.08730	0.8
227.07161	1.0
231.04945	2.2
245.08165	2.3
245.10373	0.4
283.13541	0.4
311.23422	0.5
321.09900	0.6
429.30557	0.5
509.40814	1.7
510.22733	0.7
510.28836	1.5
510.40894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	2.4
53.03939	2.9
55.05515	22.8
57.03439	3.5
57.07079	10.0
61.02925	3.3
67.05505	29.8
67.85383	2.4
69.03430	4.8
69.07073	51.0
69.63939	17.2
71.04981	3.6
71.08625	9.0
79.05491	12.3
81.03416	3.5
81.07066	79.1
83.08612	22.7
85.02914	18.9
85.06519	5.6
85.10180	4.6
91.05486	4.9
93.07046	14.1
95.08612	100.0
97.02916	6.2
97.10174	19.9
98.20647	2.6
99.08106	4.9
105.07044	8.4
107.08614	13.1
109.10162	57.4
110.39837	2.4
111.11716	21.5
114.93233	2.7
119.08646	3.6
121.10154	9.3
123.11717	32.8
125.13305	9.7
125.74419	2.5
127.03936	5.0
127.11246	2.8
129.12749	6.3
131.08669	3.5
133.10135	7.1
135.11714	9.9
137.13249	11.5
143.14272	4.9
145.10191	4.0
147.11749	4.7
149.13222	17.1
151.14813	21.3
163.14873	12.3
165.16399	12.2
177.16414	5.3
179.17978	8.1
191.17787	2.9
193.19487	2.7
197.19000	3.6
201.14886	4.1
221.74738	3.0
238.15178	2.9
245.06371	4.1
249.25827	6.3
275.27319	17.3
281.28333	4.0
287.03696	4.0
289.05267	21.4
293.28424	35.3
311.29407	8.9
329.30313	3.1
395.37500	2.6
423.23254	2.9
465.24203	8.0
477.24060	3.0
491.22311	3.1
509.23526	77.4
510.22754	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57331	0.5
70.19640	1.6
76.89685	0.4
86.52145	0.5
98.20854	0.5
98.97574	1.0
101.00833	1.5
101.99313	0.5
119.01932	3.1
158.99881	0.9
161.14873	0.5
167.18054	0.5
177.00980	8.7
179.97884	0.5
182.99945	0.7
201.00922	2.6
213.68318	0.5
216.98991	0.6
217.04077	2.7
219.02023	19.2
220.02298	0.5
222.97746	0.5
225.00865	3.1
235.00014	1.1
236.00130	0.9
240.98946	1.5
241.99075	1.3
242.99489	0.9
243.02020	13.3
258.99991	5.9
260.00180	4.1
261.03085	100.0
262.00601	0.7
262.03152	3.5
263.03003	1.8
264.99078	0.9
277.01004	3.2
278.01190	2.7
279.00998	1.0
283.00012	12.6
284.00122	13.6
284.04739	1.7
284.99887	4.5
287.62891	0.5
300.97815	0.5
301.01050	11.5
302.01196	13.0
303.00958	3.9
358.96744	0.6
367.02115	2.6
383.00119	0.7
385.03256	20.9
386.03226	0.6
401.01166	1.8
402.01367	1.8
403.04510	17.9
408.00394	1.7
408.05081	1.0
413.50229	0.5
425.01184	3.2
426.01318	11.9
426.06662	0.8
427.01172	0.9
441.03473	0.5
443.02280	4.1
444.02417	20.1
445.02179	2.6
446.01828	0.6
447.00690	0.6
467.03864	1.1
468.02493	1.6
499.99469	1.0
508.49969	0.7
509.03381	17.5
517.50299	0.8
527.00903	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94207	2.3
52.40643	2.4
55.05512	32.1
56.96558	2.8
57.03433	4.3
57.07079	17.5
66.92847	2.5
67.05511	33.0
69.03414	11.5
69.07068	61.4
69.89689	10.1
69.99798	2.2
71.08621	14.9
72.92450	2.5
73.02898	3.3
79.05496	20.5
81.03403	7.5
81.06583	5.5
81.07056	99.6
83.08625	40.3
85.02906	34.4
85.06543	22.7
85.10197	5.9
91.05473	12.3
93.07047	24.1
95.04984	3.4
95.08609	100.0
97.02887	8.7
97.10178	28.9
98.97562	4.4
99.04440	3.0
99.08094	13.9
100.11230	4.3
105.07017	11.1
107.08597	28.9
108.58840	2.3
109.02869	5.4
109.06503	3.1
109.10162	84.7
109.10912	4.6
109.22459	2.8
111.08076	5.7
111.11716	27.9
113.09648	4.8
119.08598	8.0
121.06469	3.9
121.10125	22.9
123.11705	41.6
125.09618	4.6
125.13283	13.6
127.03918	8.5
127.11182	4.2
131.08566	4.0
133.10152	3.6
135.11673	22.2
137.05972	4.8
137.13286	18.9
139.11189	4.0
139.14841	7.8
141.12732	5.4
145.04984	10.6
145.10152	4.4
149.13263	47.8
151.02197	2.6
151.14883	16.0
153.12750	2.6
155.14278	3.6
157.09962	2.7
159.11691	2.6
162.05450	3.4
163.14810	21.5
164.07068	2.5
165.09200	3.2
165.16415	17.4
166.47610	2.6
167.14345	4.4
177.16405	8.5
177.64648	2.4
179.17920	13.8
181.15858	3.1
182.15387	4.8
191.17924	6.8
193.19559	11.5
200.12650	2.5
205.19553	5.0
207.21112	4.4
210.14841	3.2
219.20963	12.9
247.24268	6.2
249.25746	12.6
255.06441	4.7
275.05115	2.4
275.27295	32.7
285.25842	3.0
285.53293	2.5
289.05286	6.2
293.28372	54.4
311.29498	6.3
318.09338	3.0
327.52075	2.3
329.15747	4.1
445.33051	2.5
465.24545	4.7
491.22433	8.3
509.23413	28.9
509.30667	15.8
509.40393	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	508.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38673	1.5
57.03438	3.5
57.07080	100.0
59.05005	42.4
69.07071	4.4
69.30431	14.8
70.88938	1.6
71.08637	70.1
73.74040	1.8
78.45415	1.6
81.07071	3.1
85.10189	61.1
87.04472	20.9
97.10176	2.8
98.20780	3.6
99.11739	11.8
100.81814	1.6
101.09650	2.6
113.13299	4.3
117.09143	15.5
149.13190	1.7
155.17961	8.9
196.32069	2.1
213.22110	16.6
254.24960	2.3
271.26340	18.7
508.36227	3.7
508.42349	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	508.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.3
61.02900	0.4
69.03436	1.2
69.05281	0.2
70.14723	0.6
73.02904	0.2
79.05465	0.3
81.03403	0.5
85.02910	2.3
87.04438	0.3
89.25105	0.2
91.03941	0.2
91.05452	0.4
97.02880	0.8
103.05482	0.5
105.07053	0.2
106.00723	0.2
107.04929	0.7
109.02858	0.5
115.05489	0.2
117.07008	0.3
121.06518	0.3
131.04953	1.9
135.04382	0.4
136.05164	0.5
145.06474	0.9
147.04378	0.3
148.07590	0.2
150.06758	0.8
151.07552	7.4
153.05482	1.0
155.05942	0.2
158.07352	0.2
159.04430	7.9
162.05585	0.3
163.07530	0.2
165.09125	2.1
167.07047	0.7
173.05975	1.2
174.06784	0.3
176.04759	0.3
176.07169	0.2
177.05457	0.2
179.05780	9.0
180.10219	0.2
189.09117	0.7
191.07021	3.9
194.08136	100.0
195.08496	0.5
204.22421	0.2
207.06564	0.2
208.09785	0.2
239.06958	0.3
251.06699	0.2
266.09537	0.3
279.10284	0.3
283.09378	0.2
297.11203	0.9
298.12137	0.3
329.13885	3.3
346.12997	0.4
346.16504	8.0
356.13425	7.0
356.17859	0.3
365.40616	0.2
389.98175	0.2
498.85995	0.2
508.21832	32.2
509.22202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.7
58.06606	5.6
60.96673	0.6
67.28528	0.6
69.03416	1.2
70.06586	0.6
71.54346	0.5
73.02911	0.9
85.02911	2.1
86.95694	0.6
91.05467	2.4
95.04965	0.7
97.02887	0.7
98.97605	0.7
103.05527	0.8
115.05447	2.3
117.07021	17.9
119.04964	1.2
121.06510	1.0
123.04481	1.1
127.03894	0.9
128.65807	0.7
137.05963	1.5
145.06497	37.3
151.07558	10.1
155.06030	1.0
165.09137	1.9
175.03838	0.7
177.09116	29.6
191.07129	1.0
194.11783	100.0
207.06519	1.1
208.09671	1.1
209.10565	0.6
341.94196	0.6
346.12885	0.6
346.16559	3.2
352.03632	0.7
385.46637	0.6
422.90463	0.7
508.21872	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	508.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.3
57.03438	0.6
58.06605	0.5
61.02930	0.5
69.03437	1.4
69.24698	2.1
70.06592	0.6
72.08155	0.3
81.03447	0.6
84.08123	0.2
85.02911	2.8
86.09708	0.4
87.04469	0.3
87.05602	0.2
91.05503	0.4
97.02891	1.3
99.04480	0.3
103.05501	0.3
105.07023	0.4
107.04961	0.5
109.02912	0.4
115.05447	0.3
117.03419	0.4
117.07027	0.4
120.08139	0.3
121.06514	0.3
122.07169	0.3
131.04951	2.2
133.06491	0.3
134.06049	0.3
135.04449	0.4
136.05191	0.7
137.06001	0.5
137.55753	0.2
145.02856	1.2
145.06497	0.9
149.05933	0.2
149.09775	0.2
150.06769	0.7
151.07561	8.2
153.05492	1.9
159.04436	8.4
163.07516	0.3
165.09090	2.5
167.07077	0.6
173.06009	1.8
174.06839	0.3
176.04733	0.4
176.07047	0.3
177.05490	2.8
179.05791	10.1
179.07388	0.5
189.09157	0.8
191.07071	4.1
192.10222	0.8
194.08144	100.0
195.08408	0.5
208.09674	0.5
237.09142	0.3
238.09987	0.3
240.36716	0.2
251.06927	0.2
251.10672	0.4
264.07758	0.3
265.08597	0.5
267.10364	0.3
268.10355	0.2
269.11044	0.2
279.10367	0.4
282.11731	0.2
283.09576	0.4
297.11197	1.0
298.11984	0.4
328.11859	0.6
329.13840	4.0
344.18640	0.8
345.18939	1.0
346.13034	0.4
346.16281	11.2
347.16913	0.4
356.13422	25.7
508.21826	17.0
509.21820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91479	0.3
53.03935	0.4
57.50314	0.3
58.06589	0.5
61.02913	0.5
63.95983	0.3
69.03406	1.1
69.46056	0.4
69.46464	1.6
73.02892	0.3
81.03406	0.6
85.02909	2.0
91.05477	0.4
97.02878	0.8
103.05447	0.5
105.06985	0.3
107.04964	0.4
109.02857	0.3
117.07011	0.5
121.06557	0.3
123.04572	0.3
126.26434	0.2
131.04936	1.7
134.05981	0.4
135.04407	0.3
136.05200	0.5
137.05995	0.4
145.02789	0.3
145.06462	0.7
150.06747	0.6
151.07558	8.1
152.07111	0.7
153.05469	1.1
159.04422	7.7
163.07596	0.3
164.07053	0.5
165.09135	2.1
167.07065	0.5
173.06026	1.7
174.06792	0.4
177.05489	0.7
179.05780	9.3
189.09012	0.8
191.07033	4.4
194.08136	100.0
195.08456	0.4
201.42737	0.3
203.80884	0.3
246.69206	0.3
266.09424	0.4
274.18872	0.3
283.09680	0.3
297.11304	0.6
298.12131	0.5
329.13843	3.1
346.16446	8.2
356.13406	7.7
392.84442	0.3
508.21826	34.1
509.22253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
56.05043	0.5
57.03440	0.7
58.06604	51.2
61.02928	0.7
69.03435	3.0
70.00417	1.5
73.58506	0.3
81.03434	1.1
85.02911	4.6
87.04498	0.6
91.03993	0.5
91.05494	1.5
97.02914	1.7
98.97594	0.8
99.04462	0.4
105.07072	0.7
109.02918	0.4
119.04959	0.9
123.04439	9.9
123.05324	0.6
131.04945	3.1
137.05978	6.2
143.04982	0.6
145.05000	0.4
147.04445	0.9
153.05450	2.1
159.04424	6.2
161.06087	1.7
162.09201	0.5
167.07080	1.2
168.06544	0.5
171.22157	0.4
176.04753	0.4
176.07178	0.4
178.06335	0.4
179.07086	0.7
179.09467	0.8
181.08644	0.7
190.08672	0.9
191.07028	4.5
192.10275	0.8
193.08647	1.3
194.08238	1.0
207.08949	0.6
208.09731	4.7
209.10559	1.0
210.11305	1.6
222.11324	1.4
223.07599	0.5
223.12151	0.6
241.08607	0.6
251.07181	0.7
257.67841	0.4
269.08221	1.7
270.59454	0.4
301.10657	3.5
303.12421	1.4
314.13785	0.9
346.16489	23.0
489.06949	0.4
508.21805	100.0
509.22128	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
51.59007	1.1
53.03938	2.8
55.01858	2.2
55.05510	20.0
57.03443	9.9
57.07072	8.5
59.04998	3.1
60.44373	1.3
62.73599	1.2
64.96696	1.2
65.03944	2.5
67.05506	100.0
69.03423	1.9
69.07066	14.5
71.04992	3.2
71.08629	3.7
74.29501	1.3
79.05497	30.7
81.07059	61.6
83.04987	3.0
83.08621	16.5
85.06534	3.0
85.10186	3.4
87.04475	1.5
89.06021	2.4
91.05477	21.0
93.07044	35.5
93.07623	1.7
95.04976	2.4
95.08607	42.6
97.06504	3.8
97.10165	12.1
99.08084	1.7
100.38766	1.2
105.07025	18.1
107.08592	22.5
108.58541	1.4
109.06533	2.4
109.10160	62.4
111.08032	3.0
117.07008	7.3
119.08575	16.3
121.10158	14.8
123.08034	1.7
123.11714	11.4
125.09640	11.0
129.07005	2.1
131.08588	14.7
133.10129	13.7
135.11690	16.8
137.09552	2.5
137.13261	2.3
139.11212	1.7
143.08578	3.3
145.10098	12.1
147.11678	11.0
147.82996	1.3
149.13255	7.3
155.10707	4.8
157.10121	2.3
159.11691	8.0
159.90678	1.3
161.13271	5.7
163.14842	3.3
171.11653	3.5
173.11740	14.0
173.13284	7.9
175.14841	2.2
177.16415	1.7
183.11652	1.6
185.13264	1.8
187.14821	4.1
189.11279	7.2
189.16386	1.6
195.00314	6.2
195.13770	2.1
201.16370	1.5
227.12775	11.7
229.14333	40.8
243.21159	5.9
259.20551	2.2
261.22144	22.3
279.23105	2.6
289.21704	1.8
317.24847	4.0
335.25806	27.3
379.29996	5.1
397.31052	10.5
415.22244	1.9
415.32077	6.7
433.33002	5.8
436.28574	1.5
471.34753	6.5
489.35767	57.2
507.26807	12.1
507.36813	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.0
55.01876	2.9
55.05512	22.3
57.03432	10.2
57.07079	7.8
59.05004	3.7
65.03933	3.8
67.05508	100.0
69.03419	2.3
69.07078	17.3
71.04978	3.4
71.08617	6.0
79.05495	35.8
79.05957	2.0
80.90180	1.3
81.07059	64.4
83.04979	3.7
83.08624	17.8
85.06540	3.3
85.10161	3.3
87.04423	1.4
89.06013	2.3
91.05486	22.4
93.07048	40.9
95.04942	2.5
95.08609	48.0
97.06539	4.0
97.10180	12.9
98.20746	2.5
99.08085	2.0
105.07036	18.8
107.08604	27.8
109.06544	1.7
109.10160	65.3
111.08079	3.0
117.07006	7.1
119.08585	21.7
121.06520	1.7
121.10145	20.2
123.08134	2.1
123.11713	10.9
125.09621	10.8
129.07031	2.3
131.08578	16.4
133.10139	16.5
135.08028	1.5
135.11713	14.7
137.09586	2.8
137.13240	4.2
139.11148	1.4
143.08612	3.0
145.10130	13.0
147.11687	9.1
149.09653	1.8
149.13263	9.1
151.11157	1.5
153.12773	1.6
155.10664	3.8
157.10149	2.6
159.11707	11.3
161.13281	6.7
163.14810	4.0
169.10190	2.1
171.11716	2.8
173.11734	13.9
173.13242	8.0
175.14769	2.7
176.99231	4.3
179.14301	1.5
185.13268	3.7
187.14815	4.5
189.11218	8.4
195.00244	7.2
205.15912	1.5
209.11411	1.5
227.12837	8.6
229.14360	35.6
229.19432	1.6
243.21062	6.2
259.20667	2.3
261.22147	31.8
263.23706	2.7
266.64999	1.6
279.23187	3.6
313.27380	2.6
317.24728	6.1
333.24170	1.6
335.25848	29.2
379.29913	3.1
397.30899	7.9
415.32239	7.4
433.33252	9.4
471.34607	5.9
489.35788	63.2
507.26996	19.6
507.36765	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
54.92110	1.1
55.01864	1.3
55.05522	8.6
57.03441	6.7
65.03935	2.0
67.05508	33.7
69.07065	8.9
70.86006	2.3
71.04968	1.1
71.08627	1.6
77.44510	0.9
79.05496	19.4
81.06580	1.7
81.07058	30.0
83.08611	4.0
85.02894	1.6
85.06512	1.1
89.06080	1.2
91.05480	11.6
93.07046	20.3
95.04952	1.2
95.08612	22.4
97.02898	1.1
97.10196	1.5
98.98475	25.8
105.07043	6.2
107.08601	9.3
109.06461	1.3
109.10165	9.2
117.07002	1.9
119.08589	5.1
121.10151	6.8
123.11681	3.4
131.08577	2.7
133.10130	3.9
133.11148	0.9
135.11673	3.9
137.06012	1.2
137.13242	1.4
145.10114	2.9
147.11688	2.9
149.13280	3.3
155.01077	5.2
159.11728	1.6
161.13315	1.5
163.14763	1.4
173.02177	5.4
173.13170	1.4
175.14833	1.2
184.07257	1.5
187.14818	1.5
195.80763	1.2
213.18446	1.2
225.74776	1.0
238.62471	1.0
243.21243	2.6
247.06087	1.4
261.22122	4.8
269.03979	1.0
317.24744	2.4
335.25806	100.0
336.26343	1.5
343.35385	1.1
471.25247	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.01853	2.6
55.05504	13.3
56.58580	2.6
56.96560	5.1
57.03442	5.6
61.02934	5.3
67.05505	15.2
69.03448	16.4
69.07072	28.3
70.06604	3.4
71.04997	5.1
79.05497	12.6
81.03412	13.3
81.07062	32.7
83.08624	10.5
85.02900	30.9
85.06548	100.0
87.00829	12.5
91.03989	3.6
91.05492	8.6
93.07048	26.9
95.08614	44.6
97.02898	14.5
97.06568	4.3
97.10157	7.0
98.21551	4.7
98.97594	6.6
99.04444	3.5
99.08067	5.8
103.05482	3.1
105.01868	5.1
105.07025	11.9
107.08583	23.4
109.02889	8.7
109.10155	34.2
113.09645	3.9
119.08559	6.6
121.10172	19.6
123.11713	20.0
127.03941	14.8
131.04947	3.6
131.08539	2.9
133.10117	4.0
135.11685	11.5
137.05939	5.4
137.13223	2.9
145.04941	5.7
145.10101	4.8
149.13264	19.9
159.02975	6.4
164.07095	6.8
167.14258	3.7
184.07434	3.4
205.19551	20.1
210.39333	2.7
223.20560	31.1
232.92348	3.3
241.21613	36.1
251.10515	4.1
269.07254	2.8
342.12695	2.8
506.26059	15.9
506.33981	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	507.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80873	0.6
55.05509	4.3
57.03439	4.7
57.07078	14.9
59.04998	0.7
67.05183	1.1
67.05504	14.5
68.22967	0.8
69.07069	4.7
71.04959	0.8
71.08297	0.9
71.08633	13.5
71.57219	0.9
75.04478	0.8
79.05480	2.6
81.06665	0.9
81.07059	11.9
83.04950	0.8
83.08617	4.6
85.10181	6.2
87.04502	0.7
89.06012	1.9
91.05460	1.3
92.19030	0.8
93.07021	3.3
95.08611	9.0
97.09615	0.7
97.10137	3.8
103.07542	0.9
105.06994	1.8
107.08575	2.0
109.10156	9.4
115.03651	1.2
119.08562	1.5
121.10107	1.6
123.11721	3.1
125.09644	1.1
131.08565	0.8
133.10118	1.1
135.11664	1.4
137.13191	0.8
147.11674	0.9
149.13281	1.0
156.97530	1.8
159.11691	1.3
162.97189	0.8
173.11766	2.0
173.13257	1.5
176.99234	5.5
189.11227	1.0
195.00304	100.0
207.17474	0.7
213.00142	1.7
227.12856	1.6
229.14378	3.2
261.22177	2.7
313.27371	24.6
335.25919	2.5
393.26031	0.7
415.22119	1.2
425.21634	1.6
433.33194	1.1
451.23135	0.9
489.25845	2.4
489.35693	4.2
507.26941	31.3
507.36548	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	507.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01870	1.6
55.05515	9.9
57.03437	7.3
57.07067	1.7
59.04986	1.2
64.31873	1.1
65.03936	1.2
67.05509	37.2
69.07072	11.5
71.56667	1.5
79.05065	1.9
79.05499	28.1
79.22538	1.1
81.06584	2.1
81.07063	40.8
83.08617	5.0
85.06523	1.7
91.05480	16.7
93.07045	27.2
95.04977	2.2
95.08056	1.9
95.08616	30.0
97.06514	2.1
97.10191	1.6
98.98474	45.3
99.08096	1.5
100.06409	1.1
105.07051	10.0
107.08604	18.9
109.10157	13.3
110.43674	1.2
114.87934	1.1
117.07014	3.8
119.08603	10.0
121.10167	12.4
123.08076	1.6
123.11729	3.1
131.08540	6.1
133.10143	7.7
135.11671	8.7
137.13239	1.3
145.10130	3.8
147.11732	5.6
149.13257	4.7
155.01047	17.0
159.11726	4.4
161.13231	4.6
163.14780	3.2
173.02141	6.7
173.13280	3.3
177.16399	1.6
187.14821	1.8
189.16402	1.7
211.03586	1.6
219.21010	1.1
220.17601	1.1
229.04846	2.2
243.21138	5.2
247.05923	2.7
261.22141	11.9
299.23691	1.8
317.24750	6.7
335.25815	100.0
388.12787	1.1
415.22211	1.1
471.25079	6.5
507.19272	1.4
507.31360	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	506.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
57.03430	0.6
58.06606	1.2
61.02925	1.3
69.03421	2.8
69.50884	3.2
70.06593	1.7
73.02935	0.6
73.06557	1.2
76.42581	0.4
78.03453	0.8
81.03430	1.8
84.04491	0.6
85.02915	6.0
87.04480	2.6
89.06035	93.9
91.05486	0.6
97.02915	2.9
98.36065	0.5
98.97587	0.8
99.04472	0.9
106.02921	5.2
107.07079	0.9
109.02872	1.8
111.23591	0.5
119.04933	0.5
119.84262	0.4
120.08128	0.5
124.03957	8.9
127.03912	1.6
130.08583	0.5
131.04941	0.5
131.07082	0.7
133.08607	56.5
134.06004	0.4
137.06003	1.3
145.05003	0.7
147.04428	1.0
147.10135	0.4
151.07617	0.6
151.09688	0.6
164.07077	1.8
176.07085	1.8
177.05522	1.4
177.11230	17.8
194.08121	3.1
195.12328	0.9
200.74773	0.5
211.07732	0.5
221.13855	5.0
223.12254	0.9
239.14851	4.0
250.07138	2.4
265.16434	0.5
268.08115	6.2
283.17520	3.5
284.10449	0.6
298.08466	1.1
312.12469	1.3
315.13321	0.6
327.20145	100.0
328.20526	0.7
330.16769	0.5
344.14487	3.4
344.18677	4.0
348.12738	0.6
350.88419	0.5
374.14673	0.9
382.01385	0.5
446.17480	0.7
490.34088	0.6
506.19965	7.1
506.23331	5.1
507.23590	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06556	4.7
61.02883	0.5
65.19777	0.4
69.03396	1.0
69.39000	1.2
69.39404	1.7
85.02876	0.9
90.90371	0.4
93.77256	0.4
97.02844	0.4
98.20781	0.8
116.29610	0.4
117.97300	0.3
120.58805	0.4
141.52881	0.4
181.36232	0.4
195.08064	0.8
207.08028	0.7
209.05975	0.8
209.09641	0.7
210.10381	0.7
211.07571	0.8
212.08411	0.4
213.09352	0.5
219.08020	0.5
221.09653	0.7
222.10345	1.3
223.07520	1.4
224.08304	0.6
226.09950	0.5
227.10698	0.6
230.11713	1.1
235.07590	1.9
237.09059	1.8
238.09894	3.2
239.06943	0.7
239.10666	1.7
241.08548	1.4
244.13339	0.8
249.09094	1.3
250.09882	4.7
251.07069	1.2
251.10670	1.1
252.07799	0.6
253.08504	0.4
253.12305	2.5
254.09407	1.7
255.10127	3.1
256.10907	1.2
266.09415	2.0
267.10226	4.9
268.10956	0.5
269.08319	2.4
269.11667	3.5
270.08969	0.6
270.12418	1.1
271.09570	1.4
272.10580	0.5
281.11725	8.9
282.12531	7.7
283.09579	1.6
284.10461	3.9
285.11197	1.1
286.12027	1.9
298.11923	3.9
313.14420	1.4
320.94272	0.5
328.15503	1.6
329.16306	1.3
342.17108	0.5
344.18597	92.1
345.18869	1.1
382.36139	0.4
506.23947	100.0
507.24478	1.4
529.72205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.203
Annotation	Neoalangiside
Peak:m/z	Relative Intensity
58.06605	2.9
61.01321	0.5
61.02942	0.7
66.78854	0.5
67.18336	0.6
68.05042	0.7
68.15594	0.6
68.60449	0.6
69.03464	2.0
70.06592	2.7
71.01387	0.6
71.56339	0.7
71.56774	0.6
85.02905	4.0
86.06106	1.3
86.09747	0.7
90.42551	0.6
91.05499	1.0
97.02922	1.5
100.64426	0.6
109.02873	0.7
119.04995	0.9
124.04008	1.0
127.03954	1.2
132.08112	0.8
137.05992	10.8
145.04974	1.1
147.04471	2.6
151.04034	0.8
151.07549	1.0
153.05548	1.6
153.07011	1.4
160.07668	0.7
161.05960	1.0
163.07620	1.6
164.07085	2.5
165.05510	1.5
175.07533	1.0
177.05496	1.0
178.08710	1.9
181.06541	1.7
190.08696	0.7
192.10146	2.8
194.08119	0.6
199.07497	0.7
207.09178	1.0
208.09575	1.5
209.06021	1.5
213.09108	0.7
221.06038	1.1
221.10724	1.5
222.11147	1.7
223.12210	0.8
225.09206	0.6
226.06282	2.2
227.07126	1.8
237.05577	1.2
238.06371	1.9
239.06908	0.7
241.08655	2.7
242.09247	0.7
243.06606	0.9
253.08594	4.9
254.05745	4.2
255.06561	5.2
266.05646	0.8
267.06677	0.5
268.11774	0.9
269.05252	1.2
269.08112	20.9
270.08853	2.9
273.11203	4.9
281.08060	4.0
282.09061	0.7
283.06042	17.3
283.09302	0.9
285.11194	2.2
286.08383	1.9
287.09177	0.7
295.09518	1.3
297.07617	6.9
298.08377	80.0
299.08890	0.9
301.10718	9.5
311.09189	0.9
312.09961	3.7
313.10703	46.1
315.12347	2.4
327.12228	3.0
327.20361	0.9
344.14944	100.0
345.15161	1.1
394.14816	0.7
407.20096	0.8
446.61481	0.6
474.15268	0.8
506.20065	70.7
507.20105	1.1
512.34216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
57.76855	0.7
58.06611	5.9
61.02923	0.9
69.03429	2.4
69.07043	0.5
70.06604	3.6
71.56780	0.9
72.08162	1.0
79.05464	0.5
81.03400	0.5
84.04464	0.6
84.08145	1.0
85.02906	4.0
85.25793	0.5
86.09695	2.4
91.05486	1.1
97.02908	1.0
98.09715	0.4
99.04490	0.7
107.04951	1.3
109.02898	1.0
116.04959	1.0
116.07080	0.8
117.07004	0.5
119.04930	0.8
120.08112	4.2
127.98103	0.6
128.04959	1.4
130.06534	0.6
134.06015	0.8
137.06001	3.7
140.06190	0.5
144.04485	3.1
146.06023	0.8
148.07579	0.7
149.05960	1.6
151.07561	17.6
156.04398	0.8
161.04752	1.1
161.05988	1.0
163.06303	0.6
164.07082	1.5
166.08685	0.9
174.05453	1.3
175.06265	0.7
176.05544	0.9
176.07086	16.0
178.08646	1.6
179.07108	0.8
188.07034	0.9
189.07817	0.6
190.08575	0.6
191.08493	0.6
192.06538	3.2
195.08075	1.0
204.10231	0.6
206.08212	6.9
207.08107	1.0
209.06140	0.7
210.10475	0.7
211.07550	1.0
213.09279	0.6
219.08095	0.8
222.10368	1.1
223.07536	0.8
225.09050	0.6
227.10719	0.8
230.11749	1.4
235.07474	2.7
237.09172	2.9
238.10004	3.6
239.10602	1.6
241.08601	1.5
244.13306	0.8
249.09167	1.3
249.11963	0.5
250.09941	5.5
251.07045	1.5
251.10687	0.9
252.10291	0.7
253.08466	0.9
253.12277	2.5
254.09415	1.7
255.10262	3.1
256.10986	0.8
266.09259	1.3
267.10226	5.5
268.10931	0.9
269.08340	3.1
269.11618	4.4
270.08929	0.7
270.12436	1.4
271.09607	1.5
272.10474	0.9
279.13275	1.0
280.09494	2.8
281.11804	7.8
282.12549	8.6
283.09637	2.9
283.12399	0.6
284.10333	4.6
284.13095	0.7
285.11292	1.5
286.11938	1.6
294.11334	0.6
295.12100	2.6
296.10043	1.0
298.11847	4.1
299.12659	1.2
310.10724	1.1
311.12854	3.1
312.12372	16.6
312.15747	0.9
313.14178	2.1
314.13931	0.6
326.13892	7.0
327.14670	11.2
328.15259	1.9
329.16199	1.5
335.66873	0.6
338.12003	0.7
342.17471	0.6
344.14828	23.1
344.18549	100.0
345.18961	1.2
361.60858	0.5
428.08780	0.7
488.10739	1.0
506.24548	99.1
507.24161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06250	1.5
53.03938	2.5
55.01861	2.4
55.05517	14.0
57.03437	10.4
57.07048	2.1
59.04985	4.1
65.03946	2.2
67.05509	100.0
69.07082	7.5
69.87245	6.1
69.87649	3.0
71.04986	3.9
79.05495	27.4
81.03446	1.2
81.07060	35.8
83.04993	1.7
83.08636	7.7
85.06509	3.9
91.05486	34.2
93.07048	32.8
95.04972	3.8
95.08614	20.4
97.06555	1.5
97.10158	3.9
98.21452	2.0
98.98454	3.2
99.08076	1.9
105.07037	31.2
107.08601	18.1
109.06516	2.1
109.10162	73.2
110.79527	1.3
111.08067	3.7
117.07063	8.4
119.07801	2.5
119.08589	34.5
121.10120	12.4
125.09654	2.5
129.07019	6.3
131.08575	12.2
133.10146	22.9
135.11703	11.5
137.09613	2.5
142.07880	1.5
143.08554	5.5
145.10129	12.9
147.11694	30.0
149.13274	8.0
155.10670	6.9
157.10155	5.8
158.19263	1.3
159.11705	11.8
161.09024	1.3
161.13264	24.9
163.11136	1.9
163.14851	2.2
164.07086	1.6
171.10323	1.6
171.11691	8.8
173.11737	23.0
173.13275	7.1
175.14835	8.8
183.11642	1.3
184.07355	2.5
185.13220	8.7
185.67325	1.2
187.14897	2.0
189.11205	2.4
191.15826	1.6
199.14824	3.6
227.12695	6.5
229.14360	60.6
231.21115	6.6
241.19543	24.8
248.57239	1.4
257.18878	1.4
259.20584	58.9
261.22125	3.6
277.21616	1.8
280.30234	1.4
315.23181	2.8
333.24271	40.7
351.18417	1.8
373.67340	1.5
395.29459	1.4
397.72842	1.5
413.30566	2.4
487.34137	12.4
505.23755	2.1
505.35480	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	505.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
53.60107	0.4
57.03394	0.6
58.03783	0.4
67.05482	0.4
69.03374	2.0
69.30014	2.6
69.30434	1.1
70.06574	0.6
72.19003	0.4
73.02884	0.7
81.03424	3.9
85.02922	4.2
86.09702	0.5
87.04427	0.8
91.05457	0.8
95.89255	0.4
97.02918	4.2
98.97585	2.4
99.04423	0.9
104.04967	0.9
106.06515	1.8
108.08109	2.4
109.02824	2.1
116.98561	0.5
117.05775	0.5
117.37732	0.4
121.02835	0.5
122.05987	0.6
127.03867	1.9
130.05615	0.6
130.06538	10.4
133.87321	0.4
135.76741	0.5
136.06161	1.3
136.07594	5.7
141.02121	0.7
147.04413	0.5
152.06203	0.7
154.06544	0.7
159.03139	0.5
165.07013	1.8
166.06558	1.2
167.07248	1.4
167.08528	0.9
168.08109	3.7
179.07213	0.6
180.08022	2.8
181.07455	0.9
181.08881	1.8
183.09201	0.6
191.07382	0.9
192.08144	4.1
193.07524	3.6
193.09097	0.7
194.09717	11.1
195.09155	1.4
204.08102	8.4
204.09859	0.7
205.07437	2.7
206.08368	14.6
207.09190	85.2
208.09947	6.2
209.24019	0.5
210.09401	0.5
215.08339	0.7
219.09203	4.0
220.09955	7.3
221.10754	100.0
222.11530	5.5
223.12325	22.0
224.12590	0.6
227.05624	0.6
237.02852	0.5
237.10316	1.1
239.11816	47.4
249.10257	14.3
252.08995	4.5
253.09743	2.5
253.13405	2.2
254.10408	2.2
265.11343	2.3
267.11313	54.2
268.11996	1.1
281.12851	3.3
285.12308	1.4
299.13910	6.1
307.12186	1.1
309.12659	1.0
325.12915	0.5
363.13394	0.6
375.13434	0.6
393.14468	33.7
394.15298	0.8
411.15546	16.5
425.17081	13.0
425.22476	0.7
427.16455	0.5
443.18112	4.4
445.17642	1.6
455.14804	1.2
473.19458	44.8
505.22070	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.9
55.01873	5.3
55.05507	2.0
57.03431	1.9
61.02914	2.1
67.05488	2.5
68.99782	2.7
69.03429	7.9
69.07059	2.8
70.06593	0.9
71.04990	1.4
71.23143	1.3
72.08144	0.7
73.02905	2.9
79.05493	2.0
81.03429	11.3
81.07063	6.3
83.04977	0.8
83.08605	1.0
84.25437	0.7
85.02909	21.3
85.06537	2.2
86.09686	1.0
87.00838	8.5
91.05482	5.7
93.07047	3.6
95.08614	5.2
97.02896	9.0
97.06516	1.1
97.10158	0.8
98.97585	1.4
99.04471	4.1
103.05458	2.6
105.01861	4.6
105.07034	3.3
107.08612	3.6
108.43952	0.7
109.02879	7.8
109.10157	3.0
111.08103	1.0
117.01858	1.3
119.04951	1.0
119.08578	2.5
121.06512	1.2
121.10150	2.8
123.11654	1.1
127.03931	13.8
129.01851	0.8
131.08499	0.9
133.10112	2.0
135.11679	2.2
137.02348	63.9
137.05966	5.1
141.07062	1.8
145.04962	5.3
145.10100	1.0
147.11705	1.9
149.13211	1.1
151.07491	0.8
153.06999	2.5
154.03169	0.6
155.08551	2.7
159.02917	6.1
159.11658	1.3
161.05949	1.1
161.13243	1.5
163.03925	0.8
164.07120	1.2
165.07010	11.1
167.07076	1.3
175.14798	1.1
176.10741	0.9
177.05452	1.1
181.06451	1.4
183.08064	93.3
193.07658	2.3
199.62788	0.7
211.07555	64.4
221.08145	1.0
229.08595	1.5
231.04980	1.7
239.07050	14.8
256.06888	0.8
257.08102	100.0
268.07196	0.8
269.07050	0.9
271.24036	1.1
287.05499	2.2
288.19635	1.4
289.25296	2.3
295.05991	2.5
307.26300	0.9
325.07129	1.9
343.08179	1.3
355.08008	0.9
361.07324	0.8
367.07874	1.1
385.08966	0.8
409.09235	0.9
443.18866	2.8
467.58786	0.8
505.11740	0.9
505.23633	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
67.05495	1.4
69.03428	1.1
69.26945	5.8
69.27370	3.1
79.05486	1.2
81.03403	2.2
81.07070	2.0
83.73579	0.9
85.02904	3.0
89.93368	0.9
91.05495	2.3
93.07042	1.7
95.08608	2.0
103.03964	1.0
107.04960	2.6
107.08575	0.9
109.02883	1.3
119.04931	4.9
121.02837	7.3
121.06442	1.5
131.04915	1.2
133.10170	1.8
133.45695	0.9
137.05894	1.3
147.04399	1.0
149.05983	1.0
159.04448	1.2
161.02330	1.4
164.07082	1.8
175.03934	1.5
175.14806	1.1
177.01843	3.2
179.03419	2.7
189.01822	7.1
195.02925	6.5
199.03864	1.2
203.03409	9.5
207.02939	6.6
217.04933	5.9
221.04298	1.0
227.03316	2.6
243.02879	2.2
243.20758	1.1
255.02849	4.9
261.04086	1.0
267.06622	1.9
268.07288	2.7
269.07285	2.5
273.03952	2.2
273.94186	1.0
279.06506	4.3
283.05948	3.2
283.08746	1.1
287.05478	1.2
293.08090	1.5
295.06027	100.0
296.06747	3.1
297.07651	7.3
298.07840	1.8
299.08200	3.2
307.06030	29.9
307.09521	1.9
308.06729	1.1
309.04230	1.3
309.07700	2.9
317.08124	1.9
319.06247	1.3
320.06650	1.4
321.07599	23.0
323.05441	8.4
325.07095	35.0
335.05353	1.2
335.09161	16.4
339.08591	3.7
343.08023	2.3
345.07465	2.3
349.07092	19.9
353.06287	1.9
355.08133	36.0
361.07086	17.2
363.08685	7.3
365.09128	1.4
367.08154	36.1
373.07071	9.8
377.06381	5.0
379.08188	2.6
385.09192	20.8
389.06882	1.6
391.08160	11.2
405.09543	2.3
409.09210	41.3
419.07501	2.6
421.09375	5.7
423.10565	1.1
433.09363	9.0
439.10220	22.4
451.10291	15.4
469.11380	26.8
469.18188	1.4
487.12241	14.6
505.12842	4.4
505.23053	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	505.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01864	0.4
55.05507	0.5
57.01472	0.2
57.03431	0.5
58.06626	0.2
61.02932	0.8
65.03938	0.4
67.05505	1.0
68.99799	0.9
69.03432	2.3
69.07059	1.0
69.58990	0.5
69.59405	0.7
71.04994	0.5
73.02912	0.8
79.05496	0.8
81.02979	0.3
81.03423	3.9
81.07062	4.0
83.04982	0.4
83.08643	0.2
85.02422	0.3
85.02906	4.1
86.09715	0.3
87.00832	1.5
87.04469	0.4
90.01923	0.3
91.03996	0.4
91.05482	3.8
92.05775	0.2
93.07058	2.0
94.07374	0.2
95.01363	0.2
95.04968	1.0
95.08610	2.1
96.02084	0.2
97.02906	1.6
97.06524	0.5
97.10195	0.2
99.04464	0.9
99.08112	0.2
101.02384	0.2
103.05460	0.6
105.01868	1.6
105.07044	2.2
106.07368	0.6
107.04959	1.2
107.08604	2.0
108.08940	0.3
109.02897	2.2
109.06548	0.3
109.10163	1.6
110.10506	0.3
111.04448	0.7
111.08089	0.2
115.03857	0.2
115.76046	0.2
117.03387	2.3
117.07014	0.2
118.04081	0.2
118.06493	0.4
119.04942	6.9
119.08580	3.7
119.09364	0.3
120.08914	0.7
121.02891	0.3
121.06514	4.2
121.10137	0.8
122.06812	0.2
122.10506	0.2
123.04436	2.0
123.11742	0.9
127.03925	3.3
127.11205	0.4
131.04942	0.2
131.08577	0.3
133.10127	1.5
134.09489	0.2
134.10474	0.2
135.04430	0.5
135.11673	1.8
137.02344	55.3
137.05873	0.9
137.13277	0.3
138.02689	0.2
138.06250	0.2
143.10745	0.2
145.04961	1.3
145.10143	0.4
145.38937	0.2
147.04414	24.4
147.11696	1.7
148.12076	0.5
149.13206	0.4
151.07614	0.2
155.03392	3.3
155.08519	0.2
157.10143	0.2
159.02928	1.2
159.08037	0.3
159.11700	0.3
161.13330	0.8
163.03941	1.9
163.14809	0.2
164.07100	0.8
165.07036	0.8
165.12743	0.2
167.07079	0.2
168.18605	0.2
169.06451	0.3
171.08028	0.4
177.07906	0.4
178.08635	0.2
181.04924	0.2
181.06395	0.2
183.08057	0.6
187.07555	0.8
197.06006	0.6
203.17976	2.9
204.18314	1.2
211.07561	3.6
215.07144	0.3
221.19006	1.2
222.19302	0.3
230.86652	0.2
231.04971	0.9
239.07040	4.4
239.16495	0.2
242.05766	2.0
257.08093	100.0
258.08420	0.7
267.06470	0.3
268.06924	0.2
269.04407	0.3
269.07071	0.4
272.20154	1.1
284.09744	0.4
290.21140	0.3
301.07007	1.9
302.17523	0.3
320.18610	0.5
333.07416	0.2
333.21255	0.6
333.71164	0.3
340.24704	0.3
346.23752	0.5
393.24057	1.3
393.73965	0.3
401.73886	0.4
415.25226	0.5
419.13284	0.7
460.30740	1.0
461.30991	0.6
474.26746	3.4
474.76508	0.3
482.76422	0.4
496.28052	1.4
504.33350	1.2
504.78302	0.4
505.13080	1.6
505.23322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01880	0.5
55.05499	0.3
57.03442	0.3
61.02919	0.3
64.62469	0.2
66.83719	0.2
67.01866	3.3
67.05511	0.4
68.99784	1.4
69.03437	1.7
69.07070	0.3
69.60484	0.4
69.60886	0.9
71.05022	0.3
73.02917	0.6
79.05488	0.8
81.03424	2.4
81.07051	0.5
83.01340	0.3
84.12797	0.2
85.02912	4.4
87.00828	1.4
91.03985	0.4
91.05486	1.4
93.07082	0.3
95.04990	0.3
95.08611	0.5
97.02904	1.4
99.04479	0.6
103.05472	5.9
105.01868	1.3
105.03405	0.5
105.07057	0.7
107.04968	1.0
107.08614	0.4
109.02888	1.8
109.10171	0.3
111.00813	0.4
119.08555	0.3
121.10170	0.3
123.04440	0.5
123.11734	0.3
125.02339	0.3
127.03922	3.1
129.01874	1.0
131.04936	16.4
133.10139	0.3
137.05986	0.6
145.04970	1.2
145.06471	0.4
147.02910	0.2
147.08052	0.2
147.11691	0.6
149.13231	0.2
151.03923	1.4
153.01836	67.9
154.02214	0.2
159.02948	1.2
171.02899	12.5
173.05986	1.1
179.03423	0.6
182.95558	0.2
191.03624	0.2
191.07042	0.4
195.02919	0.6
197.59972	0.2
203.17975	1.2
204.18330	0.7
215.07042	1.4
221.19003	0.5
229.08604	0.3
231.05017	0.6
239.06955	0.3
255.33286	0.2
257.08093	100.0
258.08362	0.4
267.41412	0.2
272.20163	0.4
281.07742	0.2
299.09116	0.6
323.09302	0.3
351.57294	0.2
365.10324	0.3
423.75464	0.2
505.23218	0.5
505.30225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01867	1.3
55.05507	3.1
56.96565	0.8
57.03432	0.9
58.33248	0.8
59.04994	1.1
61.02915	1.9
67.05511	6.4
69.03427	4.7
69.07063	4.9
71.04990	5.4
71.56464	1.0
73.02905	2.8
79.05488	6.3
81.03445	4.2
81.07060	15.1
83.04975	1.0
83.08622	2.4
85.02903	11.5
85.06541	1.1
87.00831	3.5
88.60586	0.7
91.03934	1.4
91.05473	7.4
93.07039	13.1
95.04964	1.6
95.08608	30.2
97.02908	6.0
97.06517	1.1
97.10155	1.5
98.97604	2.0
99.04449	1.3
105.01872	10.9
105.07042	14.4
107.07868	1.4
107.08595	26.0
107.09299	1.6
109.02876	4.0
109.10158	14.7
110.28632	0.8
111.11689	1.0
117.06989	1.0
119.04939	1.6
119.08592	11.7
121.06523	3.2
121.10146	9.7
123.08046	0.9
123.11710	3.2
125.09629	1.5
127.03928	8.3
131.04893	1.4
131.08557	1.8
133.10133	13.1
135.11720	5.2
137.05956	4.3
137.13210	0.8
145.04961	5.5
145.10112	1.3
147.11690	24.8
149.13222	1.3
151.11256	1.2
159.02899	2.2
159.11751	0.8
160.15602	0.8
161.13293	8.1
163.14825	10.8
164.07066	1.7
175.14879	4.1
177.16365	3.9
203.17958	83.8
214.17990	1.1
221.19009	100.0
222.19305	1.1
227.06850	0.8
231.04985	4.9
238.21608	1.3
241.64806	1.3
249.06085	4.5
255.06506	4.2
256.06894	5.4
260.12900	1.7
268.06934	0.9
272.20071	1.9
284.09738	6.8
342.14246	1.6
423.25244	1.7
426.25989	1.1
468.20047	1.1
504.25302	3.2
504.33121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43292	0.4
55.01865	0.5
55.05514	0.8
56.96563	0.6
57.03431	0.6
61.02921	0.5
61.35351	0.3
67.05504	1.5
69.03423	1.1
69.07069	1.0
69.34149	2.4
69.34550	0.8
70.06587	0.4
71.04993	0.3
73.02893	0.3
74.19798	0.3
79.05478	0.6
81.03435	0.8
81.07050	1.9
85.02917	2.3
87.00842	0.7
91.03931	0.5
91.05500	1.2
93.07045	2.1
95.04983	0.4
95.08607	2.3
97.02909	1.0
98.97594	0.7
105.01837	0.4
105.07015	2.0
106.06577	0.5
107.07373	0.8
107.08615	1.4
109.02873	0.8
109.10149	2.1
117.07014	0.6
118.06532	2.2
119.08601	1.9
121.10168	1.0
123.11731	0.8
125.43198	0.4
127.03936	1.9
130.06561	0.8
131.07333	0.6
132.08101	1.0
133.10132	1.4
135.11678	0.9
135.79784	0.4
137.05978	0.5
144.08061	0.7
146.09665	1.5
147.11707	1.2
149.13275	0.5
151.09950	0.4
158.09633	0.4
160.11229	0.5
161.13242	0.4
162.09154	3.6
164.07039	0.5
174.09154	0.5
176.10721	4.2
176.72299	0.4
177.11432	0.6
184.07364	0.4
190.12280	4.4
202.15967	0.4
203.17993	3.0
204.13840	0.7
208.45328	0.3
219.01869	0.3
221.19041	1.0
228.17284	0.4
230.88676	0.3
231.04990	0.4
232.17068	0.4
236.10597	0.3
237.02873	0.4
246.10957	0.4
246.18591	1.1
249.06189	0.5
256.06824	0.8
256.17059	0.5
260.12885	1.4
270.18414	0.4
297.07501	0.4
312.26718	0.4
321.71722	0.4
324.26886	0.7
332.22156	0.5
340.26431	1.3
344.08951	0.4
368.25916	4.5
386.26883	2.1
402.30063	0.5
418.29568	1.8
430.29529	1.0
446.32886	0.4
448.30569	8.4
460.30652	0.4
468.20218	0.8
479.42215	0.4
504.33237	100.0
505.33405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70623	3.0
53.03958	6.2
55.01863	8.6
55.05499	8.9
57.03415	3.9
57.07070	3.5
61.02902	5.5
67.05503	19.7
69.03430	22.5
69.07069	21.4
69.92432	15.6
71.04995	6.4
73.02912	10.0
79.05485	13.9
81.03417	20.4
81.07052	50.8
81.59225	2.8
83.08626	6.8
85.02908	56.3
85.06528	5.3
87.00829	19.7
91.03947	3.8
91.05487	26.8
93.07050	28.0
95.04967	8.2
95.08605	45.8
97.02882	26.4
97.06507	7.7
99.04436	7.3
103.05437	3.7
105.01875	24.0
105.07030	69.3
107.04945	7.8
107.08589	28.9
109.02879	16.4
109.06530	4.8
109.10164	34.6
111.80510	2.9
117.03357	3.1
117.06986	5.4
119.04942	10.5
119.08584	79.7
121.06490	37.7
121.10137	20.6
122.09668	10.3
122.10502	2.7
123.11713	19.9
127.03923	35.3
133.10124	40.3
135.11688	7.1
137.02361	29.6
137.05940	14.7
137.13245	7.2
145.04979	22.4
145.10091	4.7
147.04411	15.9
147.11694	67.7
149.13277	8.7
159.02908	11.2
159.11729	3.1
161.13246	17.9
161.22215	3.0
165.12714	5.9
175.14835	12.4
177.16341	4.0
192.23270	3.2
203.17958	100.0
219.18556	3.0
221.15442	3.7
221.19008	23.5
231.05019	14.8
232.19220	3.2
248.20021	5.7
249.06046	7.3
255.06555	8.6
256.06818	11.1
256.13281	12.4
257.08060	49.4
257.10590	4.8
267.06604	4.2
268.06891	9.8
272.20059	8.5
284.09790	20.9
327.90759	3.3
334.07825	4.7
340.25003	7.9
414.24628	3.1
433.53027	2.8
460.30569	35.6
482.26175	13.3
482.76135	4.4
495.27399	5.9
504.17917	5.3
504.24976	26.9
504.33075	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	504.1862
Annotation	Gravacridonediol glucoside
Peak:m/z	Relative Intensity
52.53038	0.2
53.46264	0.3
53.86787	0.2
57.41022	0.2
58.58025	0.2
64.35647	0.2
64.35988	0.2
70.06594	0.7
71.26115	0.3
71.26456	0.5
71.76965	0.2
72.08175	0.7
84.04512	0.3
85.02910	0.7
86.09697	0.6
89.06059	0.3
91.05495	0.6
94.07230	0.3
107.04987	0.3
114.03453	0.3
123.04469	0.4
123.05545	0.8
128.05002	0.7
130.06583	0.3
131.04968	0.3
133.05238	3.0
136.06152	0.3
142.02896	0.6
144.04454	0.5
146.06079	0.3
151.07521	1.6
156.04477	0.8
160.03938	0.3
161.04733	6.1
161.06049	0.4
163.04077	0.3
172.03934	1.3
174.05524	13.5
176.07089	4.8
178.08665	1.1
187.06372	0.3
188.07120	1.7
189.07924	0.8
190.05008	0.6
192.06572	20.4
204.06580	18.8
224.04808	0.3
239.09560	0.4
239.14799	0.3
250.08650	0.6
254.21053	0.4
266.07901	0.3
267.08920	1.1
278.08109	1.9
279.08926	1.0
280.09729	0.9
282.11279	0.9
292.09784	0.5
293.10440	2.8
294.07803	0.4
294.11276	0.6
295.08459	0.6
298.10785	0.3
308.09207	1.8
308.12860	0.9
309.10056	1.6
310.10751	11.1
311.11374	0.4
312.08524	0.3
324.12323	24.7
325.13110	1.9
326.10239	2.6
327.11102	0.4
342.13388	100.0
343.13684	0.8
441.41113	0.3
442.14606	0.3
449.75821	0.3
504.18610	13.8
504.35504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3345
Annotation	Val Thr Lys Arg
Peak:m/z	Relative Intensity
51.35331	0.7
57.07051	2.0
67.05499	3.7
69.07044	1.3
71.08598	1.1
79.05468	2.0
81.07059	5.5
83.08593	1.1
85.10153	1.8
89.06029	1.0
91.05463	1.4
93.07017	2.9
95.08585	1.8
96.06378	0.7
98.21510	2.3
105.07002	1.5
108.31931	0.9
109.10114	1.4
117.09189	0.8
119.08584	1.1
121.10093	1.1
131.08531	1.2
133.08600	1.0
133.10126	1.1
145.10127	1.4
149.13245	0.9
157.10078	0.9
168.95529	0.8
246.08669	0.8
348.09845	0.9
485.34494	1.1
503.33258	100.0
504.33551	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2982
Annotation	Thr Asn Leu Arg
Peak:m/z	Relative Intensity
54.30329	0.5
57.03419	0.9
61.02913	0.6
67.05509	4.2
69.07063	1.4
69.95117	3.1
71.91555	0.6
74.44526	0.6
77.31813	0.6
79.05488	2.2
79.95459	0.6
81.07066	3.8
83.04975	0.6
83.08621	0.7
85.02898	1.0
90.23711	0.6
91.05484	1.9
93.07045	2.2
95.04931	0.7
95.08608	2.3
97.06532	0.9
97.80033	0.5
98.21447	0.7
105.07018	1.9
107.08588	1.9
109.06520	0.9
109.10166	1.7
117.07050	0.7
119.08577	1.5
121.10138	0.9
123.08076	0.7
131.08592	1.0
133.10109	1.6
145.10159	0.9
146.95209	0.6
147.11636	0.8
149.13243	0.7
150.41359	0.6
168.65892	0.6
170.80170	0.5
172.64687	0.6
179.14307	1.2
215.11002	0.6
235.13136	4.8
255.06479	1.5
269.17404	2.0
275.19965	1.9
291.15637	3.5
299.05856	0.8
331.26389	1.4
339.19333	0.6
350.27853	1.0
440.25870	0.6
503.29718	100.0
504.29929	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41987	0.7
55.05502	1.1
57.03418	0.7
61.02916	1.3
67.05523	4.5
69.03398	0.7
71.57055	1.2
79.05509	1.2
81.07049	3.1
83.08589	1.1
91.05463	2.3
93.07050	1.7
95.08573	1.2
97.06565	1.0
105.06988	1.5
106.03664	0.7
107.08600	1.1
109.10140	2.7
119.08607	1.2
121.10172	0.9
149.09720	0.9
173.68472	1.1
179.14307	2.1
255.06451	1.4
257.19107	1.1
275.20129	1.2
277.04779	0.9
321.03732	0.8
349.27432	1.4
350.27628	1.6
411.23831	1.2
492.62180	1.0
503.29718	100.0
504.30017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61620	0.7
53.03949	0.9
55.01868	1.7
57.03422	2.4
61.02917	2.2
63.02441	0.8
69.03438	8.0
70.06591	1.5
71.04992	1.3
73.02923	0.8
79.05499	1.7
80.33006	0.7
81.03434	4.1
81.07046	1.7
85.02912	17.0
87.04465	1.0
91.03944	1.1
91.05475	4.6
94.04176	2.5
97.02900	7.1
99.04461	1.4
103.05481	3.1
105.07047	3.8
107.04944	1.9
109.02892	2.3
109.06519	1.4
115.05460	3.0
119.04983	1.0
119.08598	2.0
121.02872	0.6
121.06512	0.8
122.03671	6.7
124.82221	0.7
127.03941	3.6
128.06239	2.2
129.07025	1.5
131.04944	4.9
132.05737	1.7
133.06528	2.5
133.10201	0.8
135.04549	0.7
137.05989	100.0
141.07097	0.8
143.04944	1.1
145.04977	2.2
145.06487	1.3
146.03600	1.6
147.04462	1.3
147.08093	3.9
149.06032	1.1
156.05672	1.2
157.06493	0.7
159.08076	1.5
160.05215	1.8
161.06007	10.2
163.07564	10.2
167.07086	1.3
169.06496	1.2
171.07965	1.0
175.07558	38.9
177.05595	1.1
177.08023	0.9
179.07002	1.0
184.05164	1.4
186.06827	0.8
187.07565	6.7
190.07787	2.2
191.08525	4.8
199.07570	14.7
201.05644	0.7
201.09087	0.9
202.07835	3.0
203.08551	7.6
205.06493	0.8
218.07295	2.2
219.08073	7.6
220.08823	2.2
231.08055	8.7
232.08948	1.2
233.09715	0.7
236.08430	1.0
247.07602	4.5
248.08353	2.9
249.09059	1.3
251.10715	10.6
254.56946	0.8
255.06537	13.2
259.07584	5.7
260.08386	2.2
261.09232	1.5
262.09641	1.0
263.10690	5.5
264.75479	0.8
265.08560	1.4
276.07935	2.8
277.08594	2.9
279.10147	9.0
281.07764	0.8
291.10144	10.3
292.10968	3.7
293.07788	0.7
293.11688	0.8
295.13361	1.7
296.10388	1.3
308.10501	1.7
311.12814	23.7
313.03711	0.8
323.12790	20.9
325.14374	2.3
341.14133	0.8
353.06573	1.3
383.07892	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	3.7
55.71861	3.3
56.96566	7.2
57.03438	4.6
67.05540	3.4
69.03447	5.3
70.06585	14.9
70.79016	6.8
70.79352	7.1
72.08150	4.8
74.02452	23.5
80.05032	3.8
84.04529	4.8
84.08159	5.0
85.02901	5.5
86.09698	10.2
88.03996	41.7
91.05480	100.0
97.02890	4.6
97.06548	3.7
98.97579	5.5
116.03472	16.8
122.06039	11.3
123.05552	36.9
127.03917	5.8
134.04495	77.1
136.06177	14.2
137.05988	11.2
147.04482	4.7
164.07079	9.0
165.05351	3.1
172.67325	3.3
180.10260	5.2
207.09200	3.9
234.07602	16.7
234.12202	5.0
239.07031	5.4
240.07996	5.1
252.08664	52.5
252.14658	10.1
255.06514	15.8
267.06497	10.9
268.07404	7.2
297.07629	14.8
323.11893	3.6
325.05716	5.3
336.06540	3.8
342.13660	5.9
353.06421	5.5
389.06625	6.5
447.82645	3.7
485.09607	11.1
503.10104	34.4
503.21365	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1189
Annotation	Puerarin 6''-O-malonate
Peak:m/z	Relative Intensity
53.03931	0.8
55.01871	0.7
57.03415	0.8
61.02907	0.9
67.05495	0.5
68.99777	1.6
69.03409	1.2
70.06557	0.5
71.35979	0.3
71.56916	0.5
73.02898	0.7
79.01846	2.2
81.03425	2.1
81.07040	0.6
85.02918	3.0
86.09683	0.6
87.00790	1.2
91.05473	0.9
93.07027	0.8
95.04967	0.5
95.08585	0.6
97.02872	0.7
102.96865	0.5
103.03924	1.8
103.05470	1.0
105.02724	0.5
105.03397	9.5
107.01304	0.7
107.08601	0.7
109.02858	1.3
121.10202	0.4
125.02320	0.7
125.18139	0.4
126.52008	0.4
129.01811	0.8
129.03351	1.2
131.04817	0.4
133.02840	0.4
137.02318	0.6
137.05980	1.1
143.03415	0.5
147.02881	0.6
147.04356	1.3
149.02342	1.0
152.57919	0.3
153.01811	0.5
157.62042	0.4
158.16267	0.4
161.02370	0.5
163.03894	0.9
165.01848	6.6
167.03375	0.8
171.02916	0.9
175.07494	0.5
177.01805	1.1
183.02904	1.7
187.03906	0.9
189.01823	0.5
189.03955	0.6
189.05522	0.6
191.03513	0.5
195.02873	0.7
197.05984	1.3
199.07611	0.9
205.01260	0.6
211.07523	1.2
212.08305	0.5
215.03346	0.5
217.04997	0.9
219.02951	0.6
223.07497	0.5
226.06158	0.9
227.07016	2.4
239.07086	4.3
240.07826	7.3
243.02875	1.1
243.06522	0.9
251.07051	2.4
252.07816	0.7
254.05792	1.1
255.06528	13.0
261.03998	0.9
263.07068	0.6
265.05264	0.5
265.08572	1.0
267.06534	63.0
268.07309	26.8
269.08170	2.5
277.08521	0.6
279.06534	35.4
281.04846	0.8
281.08099	13.1
282.05103	1.1
283.06058	0.7
289.08575	0.7
291.06570	2.4
291.09543	0.6
292.07303	2.6
293.04858	0.6
293.08063	5.7
295.05975	3.9
297.07584	100.0
298.07779	1.0
305.08145	1.0
307.06000	1.8
307.09689	7.1
308.06631	0.6
309.07562	4.1
311.09152	1.1
317.08090	2.5
319.05972	0.9
320.06726	0.4
321.07587	18.8
327.08673	3.1
333.07523	0.5
335.09070	3.0
339.08881	1.1
341.10101	0.6
345.07593	3.8
347.09174	0.7
351.08630	1.1
363.08636	11.2
381.09659	3.7
399.10831	2.1
405.09741	0.7
417.11856	1.7
417.17361	0.5
423.10748	6.6
441.11954	4.7
449.08807	0.6
459.12866	2.3
467.09827	7.6
485.10831	13.5
503.11832	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	503.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59883	0.4
53.03937	0.8
55.01873	0.6
56.02327	0.5
57.03428	1.5
62.15440	0.5
68.99808	1.7
69.03435	1.0
70.91618	1.2
79.05482	0.7
81.03413	1.4
81.07058	0.5
84.04485	0.9
85.02908	8.5
87.00822	1.8
87.14778	0.4
90.05537	1.4
90.15979	0.4
91.05455	1.2
97.02893	2.1
97.06515	0.5
99.04432	0.6
99.23745	0.4
103.05489	1.2
105.03395	3.4
109.02862	1.4
111.00847	0.8
115.05465	0.5
117.07014	0.6
119.04990	0.6
121.02834	1.1
123.00843	0.5
127.03906	0.9
129.03387	2.0
131.67937	0.5
135.04419	0.5
137.02330	0.8
137.05975	1.5
141.01851	1.1
147.04401	1.4
149.02328	1.9
152.54752	0.6
159.11710	0.5
163.03915	0.5
165.01837	9.4
167.03381	2.4
171.02815	0.7
175.07539	0.5
177.01784	1.0
179.07051	0.5
183.02922	2.3
183.23586	0.5
187.03891	1.2
189.02171	0.6
189.03947	1.5
195.02879	0.9
199.07536	0.7
213.05489	1.1
223.07558	0.9
227.07158	0.5
239.07094	1.0
243.02834	0.7
249.09154	0.7
251.07039	8.6
254.05739	1.9
255.06532	13.6
255.10243	1.1
263.07031	1.1
265.05774	0.6
265.08563	3.2
267.06534	100.0
268.07339	5.8
277.08655	1.3
278.05655	0.6
279.06522	11.5
279.10156	3.6
281.04156	0.8
281.08057	0.9
289.08542	3.7
291.06601	3.1
292.07263	1.6
293.04523	2.6
293.08093	6.2
295.05960	2.5
297.07593	52.4
305.08041	8.1
307.06192	1.1
307.09653	13.4
317.08093	5.6
319.06082	1.0
321.07626	5.1
333.07556	27.6
335.09058	4.2
345.07587	10.4
351.08655	26.4
363.08624	23.5
381.09787	9.3
392.09613	0.6
399.10751	1.0
441.12030	0.6
467.09583	1.1
485.10861	5.8
503.11871	3.8
503.24985	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	503.1187
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
53.03941	0.1
55.05504	0.1
56.85578	0.1
61.02901	0.1
63.40987	0.1
64.55803	0.1
67.01875	0.6
67.05481	0.2
68.99493	0.1
68.99805	0.4
69.03425	0.4
69.07066	0.1
69.98959	0.2
69.99352	0.2
70.06580	0.1
71.05006	0.1
73.02917	0.1
79.05508	0.2
81.03413	0.4
81.07050	0.3
83.04964	0.1
85.02914	0.8
87.00835	0.2
91.05495	0.3
93.07030	0.2
95.08612	0.3
97.02880	0.4
97.47020	0.1
98.97618	0.1
103.05465	0.6
105.01896	0.4
105.03421	0.3
105.07017	0.4
107.08589	0.3
109.02876	0.3
109.10158	0.2
115.05482	0.1
119.08556	0.2
121.10130	0.1
127.03915	0.6
128.04214	0.1
129.03377	0.5
131.08574	0.1
132.08876	0.1
133.10124	0.1
137.05977	0.3
141.69865	0.1
145.04922	0.1
145.10155	0.3
146.10480	0.2
147.03148	0.1
147.04381	0.5
153.01834	2.8
159.02852	0.1
159.11717	0.2
161.06084	0.1
171.02872	0.2
187.07463	0.2
199.07593	0.1
201.16385	0.3
202.16682	0.4
206.28378	0.1
209.05899	0.4
213.05566	0.2
219.17447	0.2
220.17822	0.2
227.06934	0.1
231.06693	0.2
255.06519	100.0
256.06949	0.8
267.06375	0.2
297.07541	0.3
363.08768	0.1
417.11798	1.2
459.12555	0.1
485.10880	0.2
502.76389	0.2
503.11694	2.2
503.24628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1186
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
50.23708	0.1
52.42968	0.1
55.01885	0.2
68.99789	0.3
69.21062	1.3
69.21460	0.4
79.19059	0.1
81.24403	0.1
91.05495	0.9
105.81216	0.1
119.04938	0.4
128.06218	0.2
129.06973	0.4
133.02872	0.4
134.03656	0.1
137.02335	4.8
143.08551	0.3
145.02856	0.7
149.02350	0.4
152.06187	0.3
153.06995	1.0
157.06526	0.9
165.06946	0.1
171.08063	0.5
181.06497	1.7
182.19868	0.1
185.05927	0.2
197.05905	0.2
198.06735	0.2
199.07556	6.9
199.76970	0.2
199.78941	0.1
208.36244	0.2
209.05890	0.2
211.07471	0.2
225.05496	0.2
227.07011	2.9
237.05453	1.5
255.06528	100.0
256.06848	1.5
503.11850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.119
Annotation	Puerarin 6''-O-malonate
Peak:m/z	Relative Intensity
50.79572	0.3
53.03934	0.5
55.01876	0.7
57.03436	0.5
61.02909	1.5
68.91013	0.3
68.99787	2.5
69.03404	0.7
69.34437	2.8
69.87363	0.3
72.65249	0.4
73.02901	0.9
81.03405	1.7
85.02913	5.5
87.00848	2.0
91.05465	1.3
93.03401	0.4
93.18122	0.4
95.04996	0.5
103.03922	1.6
103.05444	1.3
105.01839	0.6
105.03396	5.2
105.07037	0.6
109.02902	1.9
119.04881	0.5
121.02886	0.9
124.31729	0.3
129.01895	1.9
129.03368	2.4
131.04915	1.0
137.02318	0.4
141.01825	0.9
147.02722	0.4
147.04413	2.1
149.02365	3.3
159.04391	0.9
163.03906	1.9
165.01845	8.1
167.03401	4.0
177.01828	1.6
177.05487	0.4
178.99713	0.4
181.04988	0.5
183.02974	1.9
187.03871	2.4
189.01910	0.6
189.03984	0.5
190.99767	0.5
191.03398	1.3
195.02846	0.8
205.04967	1.6
205.54715	0.3
211.07713	0.4
213.05431	1.8
215.03387	1.5
223.07555	2.5
226.06271	0.8
233.04581	0.6
239.07051	1.2
240.07930	0.9
243.02942	0.6
247.07387	0.5
251.04420	0.8
251.07050	16.7
254.05809	3.7
255.06540	7.9
257.04538	0.7
261.09186	0.7
263.07108	2.5
265.05463	0.8
265.08591	12.0
267.06543	65.0
268.07321	11.3
269.08084	0.7
273.09131	0.8
275.07013	0.9
278.05789	0.9
279.06543	21.6
279.10135	4.7
281.04510	1.9
281.08124	3.5
289.05701	0.4
289.08606	7.7
291.06613	4.0
292.07257	5.5
293.08084	29.8
294.08887	0.4
295.06064	1.6
297.07596	100.0
298.07843	1.0
303.06699	0.6
305.04587	0.4
305.08185	1.0
306.08850	0.4
307.09653	25.9
309.07733	0.6
317.08127	11.8
319.06049	0.8
321.07596	44.6
322.07690	0.7
333.07602	0.8
335.09146	4.5
345.07611	14.3
347.09320	0.4
351.08664	1.3
363.08646	58.2
381.09610	4.7
394.10529	0.4
399.10788	2.9
405.09683	0.9
423.10666	2.2
431.07846	0.6
441.11588	0.4
441.77496	0.4
449.08636	2.1
467.09781	28.5
468.09665	0.6
485.10788	10.1
503.12006	3.3
503.25433	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	502.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98515	2.2
55.05511	6.4
57.07077	3.8
59.43341	1.8
62.05788	3.5
62.06093	63.1
67.05505	14.1
69.07068	16.0
69.53107	12.0
79.05492	6.1
81.07063	23.1
81.24579	2.0
83.08621	6.6
85.26617	2.0
91.05496	4.1
91.58115	2.1
93.07055	13.0
95.08604	31.7
95.92748	2.0
97.10181	4.3
105.07024	11.0
107.08609	23.1
109.10166	40.5
109.10914	2.1
111.08064	2.6
111.11822	2.0
111.32499	1.9
119.08584	16.5
121.10153	20.6
123.11716	11.8
133.10136	13.4
135.11719	12.2
137.13257	3.8
144.10185	9.3
145.10150	3.6
147.11703	12.2
149.13272	5.8
158.11772	6.9
159.11726	6.7
161.13249	7.6
163.14812	5.8
171.01627	2.1
172.13367	4.2
173.13359	2.6
175.14810	4.7
177.12749	3.1
177.16360	5.7
184.13336	2.0
186.14938	5.7
187.14827	2.3
189.16385	5.3
191.17928	3.3
198.14766	2.3
200.16536	11.1
201.16461	5.8
203.17944	12.2
212.16441	4.4
215.18025	3.7
217.19458	9.0
224.16499	5.5
226.18127	3.3
238.18063	4.7
240.19498	3.1
252.19853	2.0
254.21037	2.9
266.21237	7.9
268.22711	18.5
271.24384	2.4
280.22635	7.5
282.24313	6.6
294.24246	6.1
313.91455	2.0
360.28577	2.4
376.31979	2.8
390.33563	5.2
424.25986	1.9
451.26196	1.8
472.41293	8.0
484.34933	2.8
484.41568	41.0
502.36984	100.0
502.43463	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	503.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.1
55.01865	0.3
60.95845	0.1
65.03939	0.2
68.99780	0.2
69.03414	0.1
70.06590	0.2
73.06535	0.1
75.51242	0.1
81.03416	0.3
81.07030	0.1
82.34590	0.1
84.08179	0.1
85.02888	0.1
86.09676	0.2
87.00805	0.1
87.04465	0.2
89.03939	0.1
89.06038	2.4
91.05476	1.1
109.02874	0.1
119.04977	0.5
121.02860	0.2
126.21719	0.1
127.03934	0.1
128.06204	0.3
129.07027	0.6
131.04927	0.2
131.08572	0.1
133.02843	0.5
133.08604	1.3
133.10117	0.1
137.02341	5.0
137.05978	0.3
141.06952	0.2
143.08563	0.3
145.02853	1.2
147.04405	0.2
149.02396	0.4
152.06209	0.3
153.07004	0.9
157.06511	0.9
165.07086	0.1
169.06421	0.2
171.08092	0.8
177.05467	0.2
177.11253	0.4
181.06490	1.9
182.07179	0.1
184.05164	0.2
185.05974	0.3
197.06036	0.1
198.06717	0.2
199.07552	7.7
209.05774	0.4
210.06821	0.1
211.07538	0.2
213.05476	0.1
215.11842	0.1
226.06306	0.1
227.07033	3.3
237.05481	1.5
255.06526	100.0
256.06894	0.7
329.13977	0.1
503.11655	0.4
503.20273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46135	3.5
55.05510	7.4
57.03446	16.3
57.07091	27.9
67.05514	68.3
67.52158	2.6
69.07066	4.7
69.48606	9.5
69.49023	9.6
71.08634	20.6
79.05510	3.5
81.07066	20.7
83.08617	8.1
85.10177	12.8
95.08603	13.0
95.92752	2.6
97.10189	5.3
98.21478	5.6
109.09459	5.1
109.10172	69.6
111.08103	5.2
118.90658	2.6
155.10669	10.4
173.11768	17.8
228.95053	2.9
229.14372	100.0
313.27380	94.9
360.69836	2.8
467.37396	62.2
502.37656	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69639	0.5
60.67213	0.4
63.01575	0.5
68.58257	0.4
71.21343	0.9
77.36323	0.4
89.24570	0.5
163.63498	0.5
168.77856	0.5
199.10794	0.4
285.34802	0.5
445.25345	0.9
451.18210	0.5
501.28275	100.0
502.28714	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08192	0.4
60.53080	0.3
62.15656	0.4
67.58945	0.4
68.38226	0.4
73.36973	0.4
119.08619	0.4
151.35501	0.4
157.06328	0.7
160.38184	0.4
162.67473	0.4
175.07367	0.6
176.25676	0.4
204.33243	0.4
207.06410	1.1
219.06351	4.1
229.18379	0.5
400.69043	0.5
457.36588	3.1
501.23096	2.6
501.37210	100.0
502.37524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99660	0.3
54.71094	0.3
109.10091	0.4
136.86624	0.3
138.97038	0.3
170.59833	0.3
198.72255	0.3
229.48380	0.4
233.53694	0.3
257.18652	0.4
357.26672	0.3
483.90277	0.3
501.37646	100.0
502.37961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.6
55.01859	4.1
55.05502	7.0
56.96565	3.9
57.03438	2.3
59.04993	4.3
61.02918	3.9
61.22023	1.6
65.03936	2.9
65.24946	1.6
67.05502	12.0
69.03440	19.7
69.07072	13.7
71.04994	4.4
71.57264	3.3
73.02902	3.2
75.98061	1.7
79.05499	9.5
81.03414	13.9
81.07066	23.6
83.04986	5.7
83.08616	5.0
84.04507	2.6
85.02911	66.8
87.00830	35.4
91.05491	16.7
93.07050	27.7
95.04997	2.0
95.08613	28.3
97.02892	24.9
97.06558	3.2
98.97579	8.2
99.04457	8.5
105.01870	67.2
105.07035	35.4
107.08600	34.1
109.02877	22.7
109.06519	6.1
109.10149	15.8
111.04477	1.8
111.08068	2.5
116.98656	2.0
117.07012	8.9
119.08585	29.3
121.06512	3.9
121.10150	16.2
123.08086	2.3
123.11716	4.7
127.03921	56.1
129.01855	2.9
129.06995	2.1
130.07806	3.5
131.08572	22.7
133.10156	15.8
135.11678	6.8
137.05980	5.9
137.09656	3.5
144.09322	2.5
145.04970	20.9
145.10135	70.9
145.11295	3.4
147.02985	2.0
147.11685	5.7
149.09595	3.4
149.13263	6.0
158.99702	2.9
159.02925	5.2
159.11707	27.7
161.13248	18.1
163.11176	10.0
173.01234	2.8
173.13240	10.3
175.14844	11.1
177.16391	2.3
189.03952	3.6
191.18037	3.9
201.16393	100.0
203.17957	1.8
213.03899	3.4
219.01709	2.5
219.17459	78.2
230.06648	2.5
231.05006	25.6
237.18517	30.9
244.99580	3.9
249.06129	11.1
255.06511	50.8
274.21664	2.1
355.18698	3.4
466.14905	1.9
467.22876	2.9
502.19290	4.2
502.31677	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	500.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05519	0.7
57.03443	0.5
58.99560	0.3
65.03938	1.8
65.27055	0.3
67.05521	1.6
69.07048	1.1
69.22642	1.9
69.23060	1.0
71.04990	0.4
72.04519	0.3
72.08137	0.5
73.24079	0.3
73.84122	0.3
76.02231	1.8
77.46385	0.3
79.05474	1.3
81.03408	0.4
81.07055	2.9
83.08617	0.4
84.04510	1.0
85.02902	0.6
86.99061	0.4
90.05573	1.7
91.05489	32.1
93.07035	1.0
95.04946	0.5
95.08624	3.6
104.01701	0.8
105.07011	1.1
106.05935	0.3
106.06564	2.0
107.08567	0.9
109.02876	0.5
109.06540	2.6
109.10128	1.1
116.01647	0.7
117.05772	0.6
118.06556	2.8
119.04952	14.9
119.08568	1.8
121.10138	0.4
121.50434	0.4
123.08058	0.8
127.03993	0.3
129.06854	0.3
130.06561	0.7
131.07343	1.8
131.08260	0.4
132.08112	1.7
133.08871	0.3
133.10107	0.5
134.09636	0.6
135.11676	0.4
136.11092	0.4
137.05989	41.0
144.08095	0.5
145.10165	0.4
146.09642	1.8
151.14839	0.8
157.10159	0.4
158.02739	3.7
159.07620	0.5
160.11240	3.2
161.12138	0.3
161.13272	2.1
163.03923	1.0
172.11229	0.4
175.05379	0.5
176.03793	1.6
177.05482	0.4
177.12726	0.5
179.14328	5.1
192.80611	0.3
193.06450	6.3
211.11565	0.4
224.16678	0.5
233.05904	0.6
237.13202	0.4
244.20654	5.4
252.16582	0.3
272.20114	42.9
290.17896	0.7
290.21155	9.2
322.10760	1.3
322.42151	0.3
346.23782	8.3
353.18948	1.0
364.24863	8.5
375.14456	0.6
411.19504	0.9
414.21567	0.5
426.26535	3.3
456.22800	1.5
482.23203	0.4
500.30096	100.0
501.23615	0.6
501.30548	1.0
501.54099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01871	5.0
55.05513	6.2
56.05020	0.6
57.03424	1.3
57.07070	1.0
58.98713	0.5
58.99588	5.7
63.83134	0.6
65.03912	2.2
67.05503	21.9
69.03414	1.6
69.07077	3.4
69.36472	0.5
69.67931	3.2
70.06586	0.7
71.04967	0.9
72.04493	1.9
72.08129	0.6
73.02880	0.6
74.09702	0.5
76.02230	20.4
79.05495	5.3
81.03394	1.0
81.06586	0.9
81.07056	17.2
83.04979	1.0
83.06078	1.9
83.08612	2.0
84.04043	0.8
84.04509	12.1
85.01100	0.9
85.02897	1.7
85.06563	0.8
86.99042	2.2
87.02683	0.9
87.05575	0.6
88.02200	1.6
90.05555	14.4
91.05480	36.7
93.07047	6.5
94.09783	0.6
95.04969	1.9
95.08611	26.5
97.01073	0.5
97.06509	1.1
98.97601	1.3
104.01696	6.3
105.07026	6.0
106.06543	2.2
107.04929	0.7
107.08580	5.0
109.06536	3.8
109.10158	18.8
113.04200	0.9
114.03764	0.8
116.00893	0.7
116.01678	12.3
117.05780	0.8
117.06983	1.9
118.06543	3.4
119.04948	15.2
119.08578	8.9
121.10136	2.9
123.08068	2.8
126.05492	2.1
127.03900	0.8
129.06589	1.2
130.03212	1.3
130.05005	3.0
130.06831	1.3
131.07288	2.1
131.08585	0.6
132.08060	1.8
133.10147	3.2
134.09663	2.6
135.08076	1.0
135.11638	1.1
137.05978	42.1
137.09576	1.8
139.05748	1.0
141.04770	0.9
141.06471	0.7
142.03247	3.9
146.09619	2.3
147.08035	0.6
151.14824	9.9
156.08414	0.8
158.02715	42.8
158.99715	0.6
160.11227	2.8
161.13257	6.8
167.05284	0.8
170.02773	1.1
172.11139	0.7
174.12689	0.8
175.05412	5.7
175.14873	0.6
176.03778	18.0
176.14339	0.7
178.15884	0.8
179.14317	17.6
185.13025	0.5
187.05309	1.4
193.06427	86.2
203.14336	0.9
215.04874	1.6
216.03468	0.7
233.05948	6.4
236.14716	2.5
237.13036	1.7
241.06461	0.6
244.20593	4.2
254.15854	0.9
259.07513	1.3
272.20087	41.9
290.17801	1.3
290.21158	6.1
304.09689	0.9
305.08145	0.9
322.10651	8.7
346.23813	5.1
353.18954	21.5
354.17493	1.3
364.24841	13.6
371.20016	2.2
393.18338	1.5
411.19547	9.4
426.26459	1.9
482.23318	6.6
500.30084	100.0
501.30136	1.1
504.60123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.4
70.06564	0.5
71.08636	17.5
71.56189	0.6
72.08154	0.7
85.02940	0.9
88.11274	100.0
97.02930	0.5
98.97597	0.7
101.02363	0.6
116.98631	0.4
136.06160	0.5
137.05943	0.5
138.94873	0.4
219.01945	0.4
237.02827	0.6
337.06610	0.4
441.47766	0.5
460.93393	0.5
500.19739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35371	1.1
55.05504	2.3
57.03423	2.8
57.07079	83.9
58.04218	7.1
59.05004	27.8
66.03761	1.2
67.05486	3.2
67.15111	1.1
69.07053	4.2
70.07838	1.8
71.08636	100.0
71.42325	2.6
72.05774	11.0
73.02924	7.3
73.06565	8.2
81.07053	2.7
82.07830	2.7
83.08618	5.0
85.10188	91.6
87.04470	15.2
87.08080	1.2
88.05242	2.0
89.06037	23.9
90.01921	40.7
95.08583	2.6
96.09422	2.9
97.10157	3.3
99.11736	9.4
101.06035	1.6
102.05501	1.4
102.06828	1.8
103.07583	11.2
109.10173	1.3
111.11713	2.0
116.08346	2.5
117.09102	4.8
127.14842	1.7
133.08577	11.5
135.36324	1.1
138.14035	3.6
141.16383	10.2
151.09628	1.5
169.15858	4.7
177.11229	4.3
178.07092	7.0
179.12761	3.7
185.18976	2.0
198.19798	3.8
199.20618	11.4
207.12184	1.9
208.15515	2.8
209.13867	4.3
222.09731	9.7
224.14867	1.7
243.23149	3.2
266.12378	6.0
284.13361	10.0
327.28738	1.9
328.15881	2.8
342.17355	2.2
348.31064	8.9
408.32962	1.8
437.75418	1.3
499.36728	5.9
529.18481	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.5
57.07079	100.0
59.05008	23.2
69.07053	2.0
71.08636	92.8
71.15137	1.3
74.16135	1.3
83.08620	2.9
83.27683	1.4
85.10187	79.6
87.04465	5.1
89.06036	93.1
90.32893	1.4
99.11731	12.5
103.07599	5.2
107.03632	1.2
107.07038	1.5
117.09167	1.5
133.08607	64.3
141.16394	9.8
175.09778	2.2
177.11240	43.0
199.20593	13.5
219.12259	1.6
221.13860	4.5
239.14832	3.2
243.22981	6.3
265.16486	5.8
283.17538	40.8
323.20731	10.5
327.20105	3.2
341.21811	1.9
346.36920	1.3
481.37344	14.4
498.40125	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63515	0.5
55.05519	1.3
57.03447	1.0
57.07077	51.5
59.05004	28.7
65.75166	0.6
67.05495	0.6
68.21187	0.6
69.07066	3.1
69.88136	2.8
71.08633	100.0
73.06562	0.7
83.08619	2.0
85.10184	57.4
87.04503	1.9
87.08136	0.7
88.03989	0.8
89.06034	31.2
97.10186	1.0
101.09673	2.5
103.07587	2.7
117.09142	3.2
125.13274	0.7
127.14836	7.7
131.07054	1.0
133.08607	27.9
147.10211	1.2
175.09702	1.3
177.11235	7.4
185.19009	23.0
191.12823	1.0
195.12352	1.1
219.12477	0.7
221.13846	4.6
226.21826	1.6
239.14911	13.4
243.23198	14.2
279.18076	3.4
297.19055	6.6
337.22278	1.7
353.58679	0.6
355.23425	1.1
479.07605	0.6
481.37372	5.0
498.40170	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02833	0.3
59.85752	0.3
69.03432	0.5
70.06591	0.7
71.06496	0.8
81.03428	0.3
85.02891	0.4
90.99613	0.3
93.07049	0.3
93.12863	0.3
95.08580	0.4
99.08105	1.3
100.11258	1.1
101.00884	0.4
107.08613	0.5
119.01954	0.4
119.08585	0.7
133.10141	1.2
135.11697	0.4
137.06097	0.4
137.09586	0.4
155.01929	0.5
155.39465	0.3
157.03470	0.5
159.05070	0.3
161.03012	0.6
173.03003	0.3
175.04611	0.4
185.04248	0.4
193.15887	0.5
203.03827	1.0
209.16528	0.5
210.14925	0.4
221.05043	1.4
227.05296	0.5
233.15181	0.8
245.06470	1.7
248.58144	0.4
251.16380	1.8
271.04315	0.6
275.14984	1.0
279.15756	0.7
287.14926	0.4
289.05310	4.9
293.16125	1.0
311.16928	0.3
321.07846	0.6
349.07077	0.7
377.18091	0.6
395.19421	2.4
413.21405	9.0
437.20599	3.1
453.34290	0.9
454.34781	1.4
455.22568	25.2
456.22137	0.4
481.11343	1.2
481.20746	1.0
499.21527	100.0
500.22034	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01877	1.6
55.05516	8.1
56.96564	2.2
57.03440	4.6
59.04985	1.7
61.02921	2.4
65.03939	1.6
66.13343	1.5
67.05507	40.1
69.03438	1.5
69.07076	11.5
70.68280	2.9
71.05013	3.3
71.08624	2.0
73.02924	2.8
79.05495	22.9
81.06580	2.7
81.07061	49.7
83.04987	4.0
83.08626	9.3
85.02911	2.1
85.06524	2.0
89.06077	1.7
91.05488	18.0
93.07051	34.1
95.04997	3.3
95.08616	16.1
97.06537	6.0
99.08122	1.4
103.05482	1.4
105.07037	10.9
107.08601	17.4
109.06522	1.8
109.10143	3.6
111.08063	3.5
117.07029	8.5
119.08589	5.9
121.06522	2.6
121.10130	8.7
122.26678	1.6
123.11710	3.7
128.81142	1.3
129.06970	2.2
131.08594	11.2
133.10136	8.2
135.11691	5.3
141.06976	1.9
143.08542	1.9
145.10130	4.7
147.11743	2.3
149.13266	13.9
155.08557	1.9
157.10106	4.1
159.11719	6.5
171.11650	1.6
177.12682	3.5
195.13791	9.1
197.13329	1.9
199.17110	2.8
200.77232	1.4
269.17493	57.6
269.38712	1.5
338.16013	1.5
345.39923	1.5
349.16879	2.3
353.24826	3.2
371.25922	3.5
389.26974	2.5
427.28717	1.9
445.24078	2.3
445.29596	16.2
463.30588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97076	3.0
57.07075	100.0
58.04185	4.0
59.04755	3.6
59.05003	42.8
64.16271	3.0
66.81254	3.5
71.08633	84.2
82.53722	3.8
83.08604	4.2
83.66738	2.8
85.10182	78.2
89.06046	9.9
90.01896	12.4
97.10157	3.1
98.21587	6.9
99.11720	13.9
117.09100	15.9
133.08560	3.8
135.81244	3.1
155.17958	8.9
199.20538	7.2
213.22101	8.9
257.24707	8.3
271.26349	9.4
284.17584	3.5
307.27145	3.8
422.13867	3.3
518.49902	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.0
56.69393	1.0
56.96574	1.6
57.03445	7.9
57.78530	1.0
59.05002	3.1
61.02918	3.9
67.05503	34.1
69.03425	4.0
69.07065	6.1
70.03780	4.5
70.06606	1.5
71.04984	8.2
73.02914	1.7
73.06552	1.4
79.05054	1.5
79.05489	12.2
81.03417	3.2
81.07058	51.9
83.04984	2.3
83.08620	7.1
84.30528	0.9
85.02895	6.8
85.06557	7.9
86.09681	1.7
88.94383	0.9
91.03968	1.8
91.05472	17.4
93.07040	18.8
95.04954	2.7
95.08606	7.8
97.02876	2.8
97.06533	5.8
97.10186	2.1
98.21430	1.2
98.97576	3.9
99.08090	3.2
103.03943	1.4
103.05432	1.9
105.07037	6.0
107.08588	8.7
108.04476	1.7
109.02915	1.8
109.06535	1.8
109.10171	4.3
111.08089	2.8
111.11739	1.1
115.05540	1.1
116.98591	2.4
117.07020	5.5
119.04932	1.0
119.08571	2.9
121.06508	2.3
121.10171	3.2
122.05953	1.2
123.11709	8.1
127.03894	2.9
127.07526	1.0
127.11210	1.8
129.05453	0.9
129.12720	1.6
131.04932	1.4
131.08530	5.6
133.10136	11.5
135.08084	1.1
135.11662	5.1
136.07584	1.1
137.06007	4.3
138.05498	1.1
144.06674	1.1
145.04997	1.2
146.06003	1.2
147.11658	0.9
149.09628	1.4
149.13258	11.0
151.11200	5.7
157.10077	1.5
158.99657	1.3
159.11700	23.1
161.13274	2.7
168.06586	1.4
169.12263	2.2
177.12747	31.3
179.14230	6.1
184.07381	1.2
187.13281	6.5
195.13815	4.3
198.11200	1.7
211.08702	1.0
213.14929	1.0
215.16451	1.2
225.10213	1.6
233.15364	1.5
239.11824	2.7
241.19225	1.4
243.13426	1.7
243.15921	35.9
251.16476	10.7
253.09892	1.6
257.17401	1.0
267.11273	6.0
269.17471	100.0
270.13397	1.0
295.10822	3.3
301.20062	18.4
313.11810	17.4
341.11316	4.1
373.13947	48.8
418.24973	2.0
445.24289	9.6
462.27600	1.0
463.25208	1.1
498.19592	5.4
498.28427	1.9
499.21460	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2
Annotation	Trp Glu Tyr
Peak:m/z	Relative Intensity
56.96558	1.1
58.06596	1.1
63.47314	0.5
69.29941	4.7
70.06611	2.5
70.06915	0.5
72.08150	1.3
81.03424	1.3
81.07059	0.5
84.04492	1.1
84.08159	0.7
85.02928	1.2
86.09715	1.2
90.84402	0.5
91.05501	0.9
97.02913	0.8
97.06511	0.5
98.97570	1.0
105.86073	0.5
107.04949	0.7
110.07168	1.0
123.04507	0.7
124.03950	0.7
124.07632	0.8
135.04410	0.8
136.07590	1.2
137.02309	0.8
137.05998	1.1
139.83208	0.6
147.04456	0.8
148.91600	0.5
150.05518	2.8
152.07121	0.7
157.06516	0.5
162.05560	0.9
164.07101	0.8
203.03429	1.2
246.04469	1.5
261.11237	0.6
264.05524	1.0
275.18478	0.5
323.05832	0.6
337.07150	2.3
344.15143	0.6
349.07156	1.1
363.08508	1.6
365.06488	3.1
367.08115	0.6
377.06381	1.0
391.08200	1.8
419.07550	1.4
449.08652	0.9
461.08878	1.0
479.09576	1.7
479.16489	1.2
480.18796	0.5
497.11243	8.5
497.19962	100.0
498.20297	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73815	0.4
54.48983	0.3
55.05499	0.4
57.03411	0.4
65.03930	0.6
67.05507	1.0
69.03417	1.0
69.07034	0.4
69.28825	3.8
70.06589	0.5
71.04988	0.7
71.06232	0.3
79.05461	0.5
81.03416	0.9
81.07069	0.6
84.08115	0.4
85.02905	0.6
85.06563	0.4
86.09710	0.5
91.05479	0.9
93.07035	0.6
95.04976	23.2
95.08537	0.4
96.05306	0.4
97.02856	0.6
98.97584	0.6
99.04460	1.9
101.73137	0.3
105.07021	0.6
107.08591	0.4
109.02900	0.8
109.06478	0.5
127.03947	1.0
133.10150	0.6
135.07916	0.4
137.06029	0.8
153.09094	1.0
164.45586	0.4
167.23605	0.4
175.07373	0.8
178.08728	0.6
203.05324	1.5
225.33911	0.4
227.05339	0.7
231.13684	1.8
245.06357	5.4
247.69043	0.4
249.14758	2.3
289.05319	17.7
330.16998	0.5
411.19882	3.0
453.20929	12.2
497.19958	100.0
498.19943	2.1
500.18713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.05517	0.5
55.06768	0.2
56.96563	0.5
57.03430	0.3
61.02930	0.3
67.05499	0.9
69.03426	0.8
69.07064	0.5
69.57149	0.8
69.57571	1.0
70.06594	0.7
71.04990	0.8
79.05486	0.5
81.03421	1.6
81.07043	0.7
83.04977	0.3
83.08600	0.4
84.04516	0.4
84.08155	0.5
85.02907	1.3
85.06570	0.3
86.09720	0.7
87.00809	0.3
87.04435	0.2
91.05493	0.6
91.14091	0.2
93.07037	1.0
94.48959	0.3
95.04977	18.9
95.08624	0.8
97.02889	1.0
98.97580	0.6
99.04452	1.8
100.11269	1.1
103.50143	0.3
105.07060	0.6
107.04996	0.3
107.08595	0.6
109.02877	1.1
109.06522	0.3
109.10152	0.5
116.98635	0.3
117.07018	0.4
119.08564	0.5
121.02972	0.3
121.06499	0.2
121.10130	0.4
124.03934	0.3
127.03928	1.5
131.08583	0.4
133.06430	0.3
133.10092	0.8
135.08081	0.3
137.05988	0.9
153.09093	1.0
161.09596	0.3
164.07114	0.5
173.13222	0.3
175.07413	0.8
177.05585	0.3
177.07877	0.3
185.04291	0.5
193.08589	0.3
197.94803	0.3
203.05351	1.3
206.11829	0.3
210.14990	0.3
219.01958	0.3
222.88641	0.3
227.05374	0.5
230.09016	0.3
231.13629	2.1
245.06334	4.3
249.12167	0.4
249.14667	2.8
271.04248	0.4
277.14233	0.8
289.05319	13.8
317.08719	0.4
323.78134	0.3
330.17078	1.0
380.58777	0.3
393.18658	0.5
409.18427	0.6
411.19962	4.8
417.24667	0.7
424.34802	0.3
435.19788	0.3
453.20923	15.7
487.88657	0.3
497.19965	100.0
498.20587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
55.01854	6.3
55.05513	2.4
57.03424	6.9
60.04519	4.1
61.02912	5.5
65.03926	3.3
67.05493	4.9
68.99783	6.0
69.03430	50.3
69.40730	13.2
69.41077	1.3
71.01347	4.0
71.04977	6.7
73.02897	6.3
75.04485	2.5
79.05476	3.9
81.03417	47.6
81.07055	2.3
83.01342	1.9
83.04984	10.2
84.76289	1.6
84.91180	2.6
85.02907	94.9
87.00830	39.5
91.05463	4.0
93.07073	2.4
95.04971	9.5
97.02890	41.2
99.04447	14.6
101.02363	1.8
103.03947	10.0
105.01870	36.1
107.04936	2.1
109.02888	62.9
109.10127	1.8
111.04435	10.1
113.02356	1.9
115.03937	2.9
117.01809	2.2
119.04969	2.1
121.02824	1.7
123.04436	11.5
125.02364	8.3
127.03925	100.0
129.01852	4.7
135.04396	2.5
137.05971	7.2
139.03894	4.2
145.04947	16.3
147.02881	3.9
147.04410	3.4
151.03894	16.9
159.02963	7.7
161.06006	3.0
163.03935	1.8
165.05457	6.5
169.04988	16.1
171.02885	8.5
179.07010	1.5
187.05946	9.8
189.03952	22.3
189.05522	3.1
193.05008	9.7
211.06059	4.5
213.04013	10.5
217.05069	2.5
229.07080	3.1
231.04955	16.8
235.06004	8.3
236.13437	1.6
249.06114	2.7
253.07040	5.3
255.05052	5.9
273.06082	54.9
297.06195	3.5
309.50327	1.7
315.07031	4.2
334.29544	2.4
339.07031	6.7
357.08096	5.5
411.20285	1.8
416.24298	3.2
443.08301	3.6
453.20895	2.6
461.09216	3.4
496.34921	2.6
497.19345	11.4
497.26724	3.2
497.35272	1.9
518.84882	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99445	1.2
52.62539	1.5
55.05505	2.6
57.03429	4.6
57.07077	100.0
58.61444	1.3
59.05004	67.9
60.44318	1.5
61.84003	1.4
69.07059	1.9
69.48052	10.2
71.08633	97.4
83.08617	3.1
85.10185	98.6
87.04471	3.5
89.06032	25.2
92.80632	1.4
97.10142	1.9
99.11749	11.5
101.05948	2.0
101.09663	7.1
103.07576	3.2
107.07084	1.7
111.11757	2.0
115.07554	2.6
117.09132	23.3
130.46135	1.4
141.16418	11.1
145.08609	2.1
147.10168	9.1
178.94289	1.3
199.20578	26.2
201.77950	1.5
205.14351	7.6
216.95230	1.3
223.15486	4.2
240.23288	2.0
257.24762	38.5
263.18552	3.5
281.19574	2.3
283.17569	2.5
315.29169	3.0
479.39386	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	496.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.05040	0.2
57.03437	0.4
57.07074	0.9
58.06616	0.5
60.08168	5.9
67.05505	0.6
69.07076	0.5
71.07383	2.5
71.08635	0.7
71.42747	0.3
73.02909	0.2
79.05466	0.2
81.07040	0.5
83.08647	0.4
85.02937	0.2
85.10172	0.3
86.09713	27.9
89.06013	0.2
91.05492	0.4
92.08405	0.2
93.07052	0.3
95.08627	0.6
97.02918	0.2
97.10213	0.2
98.98473	2.7
101.43726	0.2
104.10751	2.9
105.07032	0.4
109.10110	0.2
117.07011	0.2
119.08582	0.2
125.00014	19.7
126.91253	0.2
141.22630	0.2
142.40486	0.2
182.47432	0.2
184.07353	100.0
194.43709	0.2
201.04558	0.2
374.28360	0.2
443.27612	0.2
478.33121	0.8
496.34024	3.5
510.86319	0.2
511.62540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
57.03424	1.4
57.07080	100.0
59.05007	21.8
69.07060	3.4
71.08638	87.7
72.08147	1.1
73.02922	55.5
73.06544	1.2
83.08607	2.9
85.10189	74.0
87.04471	2.1
87.08115	1.9
89.06039	19.1
97.10164	3.2
99.11745	13.2
101.09631	1.6
103.07594	6.9
111.11703	0.9
113.13307	4.3
117.05508	2.6
117.09148	3.6
133.08620	16.8
137.10475	1.0
141.16368	3.2
155.17958	10.7
161.08083	2.3
161.11765	1.0
164.04875	0.9
175.21587	1.0
177.11273	4.3
177.25841	0.9
185.19060	2.7
195.12350	1.8
199.20555	3.7
205.10699	5.7
213.22154	11.3
221.13850	2.4
239.14894	19.5
243.23213	5.4
249.13240	4.3
257.24811	5.4
267.14450	4.4
279.18051	1.5
283.17462	1.2
297.18976	2.1
301.27328	1.1
416.65399	1.2
451.36249	3.9
496.38477	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	496.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.6
66.13725	0.2
69.03418	0.4
69.71059	0.5
69.71472	0.8
71.56197	0.2
85.02915	0.9
91.05488	13.2
96.29264	0.2
98.97649	0.2
109.06516	0.8
111.16203	0.2
118.03593	0.2
119.04099	0.5
119.04958	9.7
123.04423	0.6
127.03898	0.3
137.05986	100.0
138.06302	0.7
143.01907	0.3
145.04967	0.4
152.07008	0.4
154.08641	42.0
163.04434	0.3
199.51721	0.3
215.05164	1.0
217.05519	0.3
233.82486	0.2
238.08704	0.3
244.07762	0.3
245.05052	0.5
251.41989	0.2
281.07135	0.3
284.09201	0.9
293.61575	0.2
316.11557	0.3
317.08310	0.3
496.22302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05506	0.5
56.05038	1.2
57.03425	0.5
57.07077	3.1
58.06568	1.3
59.07383	0.4
60.08166	16.9
67.05507	0.9
69.07063	0.5
70.06580	0.3
70.25299	0.4
70.25692	0.3
71.07376	6.1
71.08629	1.9
75.51546	0.2
80.97464	0.2
81.07057	1.0
83.08612	0.5
85.10188	0.9
86.09708	50.3
94.91266	0.2
95.08607	1.0
97.10160	0.2
98.98470	3.3
104.10748	100.0
105.11055	0.2
109.10164	0.6
123.11710	0.2
125.00009	28.1
129.69522	0.2
163.01564	0.8
181.02591	0.4
184.07346	94.7
185.07617	0.3
256.85141	0.2
257.24799	0.2
258.11063	1.0
313.27390	1.9
365.84042	0.2
419.25323	0.2
432.20050	0.2
478.32959	8.5
496.33990	39.2
497.34470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54156	1.6
57.07078	100.0
59.05006	34.5
67.05521	2.2
69.07069	4.3
71.08635	97.4
71.56532	2.1
81.07030	3.3
83.08613	4.0
85.03477	1.8
85.10184	91.2
87.04471	5.4
89.06038	56.2
95.08613	3.3
99.11740	11.3
103.07581	2.7
117.09122	6.0
130.08667	2.0
133.08612	44.5
133.10214	1.7
141.16374	7.6
177.11243	6.9
199.20613	9.9
208.11079	1.8
221.13893	2.2
239.14891	13.8
240.23264	2.3
257.24557	3.6
495.34808	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54156	1.6
57.07078	100.0
59.05006	34.5
67.05521	2.2
69.07069	4.3
71.08635	97.4
71.56532	2.1
81.07030	3.3
83.08613	4.0
85.03477	1.8
85.10184	91.2
87.04471	5.4
89.06038	56.2
95.08613	3.3
99.11740	11.3
103.07581	2.7
117.09122	6.0
130.08667	2.0
133.08612	44.5
133.10214	1.7
141.16374	7.6
177.11243	6.9
199.20613	9.9
208.11079	1.8
221.13893	2.2
239.14891	13.8
240.23264	2.3
257.24557	3.6
495.34808	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
55.05516	12.2
56.96574	1.1
57.03442	5.3
57.07074	1.4
59.04993	1.1
61.02934	6.4
65.03928	1.6
67.05508	36.7
69.03419	3.6
69.07069	17.1
70.59225	1.0
70.59553	1.8
71.04987	3.9
73.02909	2.9
79.05025	0.8
79.05492	22.7
81.03422	3.1
81.07058	100.0
81.13548	0.9
83.04987	7.6
83.08606	7.5
85.02901	6.1
85.06554	5.3
87.04493	1.3
91.03963	3.1
91.05484	32.3
93.07039	21.4
95.04975	3.3
95.08608	24.7
97.02888	5.3
97.06548	6.4
97.10170	1.2
99.04427	2.2
99.08105	3.1
101.05998	1.4
103.05500	1.2
105.07033	42.7
107.08601	16.1
108.56019	0.9
109.06509	5.8
109.10149	3.9
111.04438	1.1
111.08096	1.5
113.06017	1.4
117.07012	5.2
119.08588	33.5
120.08924	1.0
121.06493	1.1
121.10144	24.7
123.08093	4.8
123.11708	33.8
125.09623	1.2
127.03955	1.3
127.07570	3.2
129.05507	1.3
129.07016	2.2
131.08563	4.1
133.10173	4.6
135.08029	1.1
135.11710	3.8
137.13272	2.7
143.08571	2.7
145.05023	1.1
145.06584	1.2
145.10147	3.9
147.11693	70.4
149.09688	1.4
149.13258	1.6
151.03889	1.0
155.08568	1.3
157.10147	2.0
157.88345	0.9
159.11684	2.6
161.13245	1.3
165.12756	35.0
169.10089	1.3
171.11737	2.0
173.09589	1.0
173.13254	2.8
175.11159	1.4
183.13850	5.1
185.13274	1.6
193.12241	1.7
197.13329	1.0
220.41081	1.0
229.14352	8.6
241.19464	1.5
259.20636	3.3
267.15927	60.9
269.10635	1.4
279.27957	1.0
285.17029	4.0
306.00266	0.9
313.21683	0.9
317.37152	1.0
333.24194	5.4
333.27771	1.1
367.22644	1.3
375.25372	1.3
385.24036	1.7
417.26312	1.2
441.26596	2.9
449.29111	3.3
459.27475	3.0
477.28622	14.4
495.29590	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	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01871	2.0
55.05260	1.1
55.05513	12.8
57.03443	3.7
57.07080	1.6
59.04985	0.7
59.79922	0.6
61.02949	0.6
63.75379	0.7
65.03956	1.8
67.05505	32.6
69.03462	0.9
69.07071	16.9
71.04994	4.5
71.56013	0.6
73.06566	0.6
79.05495	22.4
81.03420	0.8
81.07060	100.0
82.07383	0.7
83.04983	8.4
83.08622	9.7
85.02911	1.2
85.06544	6.3
91.05485	28.1
93.07057	14.4
95.04980	2.9
95.08614	20.6
95.09225	0.9
97.06535	5.5
97.10168	0.9
99.08097	3.5
101.06036	1.5
105.07037	44.4
107.04967	1.1
107.08599	12.2
109.06522	4.8
109.10169	2.5
111.08089	1.1
113.06029	1.9
117.07065	0.9
119.08586	33.5
121.10152	22.1
121.11021	0.8
123.08110	3.3
123.11713	34.6
125.09571	0.9
127.07581	3.3
129.06990	0.8
131.08554	1.1
133.10187	2.3
135.08128	0.8
137.09633	1.1
137.13303	2.4
138.81990	0.6
141.09122	1.2
145.10165	1.8
147.11696	74.9
155.01859	0.7
160.57602	0.6
161.09402	0.7
165.12764	38.7
175.11163	0.9
183.13821	5.4
193.10654	0.8
193.12332	2.9
227.12611	0.8
229.14381	9.1
267.15933	58.8
285.16977	3.8
319.22665	1.1
330.07333	0.7
385.23880	1.0
449.28912	2.2
454.09204	0.6
459.27872	0.9
477.28461	10.2
495.29556	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2266
Annotation	Glaucarubinone
Peak:m/z	Relative Intensity
56.96569	39.2
56.96970	1.1
70.03611	0.6
70.04008	0.7
70.48084	0.3
71.95270	5.5
72.96056	3.8
79.05465	0.4
81.07023	0.6
83.08630	0.4
84.96043	2.0
88.92188	0.4
91.05476	1.0
97.10114	0.4
97.96826	0.7
105.00152	0.8
109.32218	0.4
110.97595	1.8
115.00677	0.8
119.01720	0.9
123.01190	0.9
127.00685	1.4
128.98586	0.6
137.02768	2.5
139.00624	1.5
141.02231	3.5
151.00644	0.8
151.04256	0.6
153.02251	2.0
155.03790	0.8
157.01717	0.9
159.03322	2.0
165.02307	0.7
167.00128	0.5
167.03784	1.2
169.01659	0.7
171.03313	2.6
173.04733	0.4
175.02826	0.6
181.01758	0.6
181.05338	0.4
183.03349	0.5
185.01227	1.0
185.04886	2.5
189.04311	1.3
193.05440	0.7
195.06863	0.5
197.04881	0.5
199.02779	1.9
199.06380	2.0
203.02312	0.7
203.05888	1.5
209.08565	0.4
211.06416	1.5
211.10127	0.5
213.07990	0.9
217.03838	1.1
217.07422	0.7
221.08362	0.4
223.06654	0.5
223.10010	13.1
227.09499	0.6
229.07407	1.0
231.06999	0.5
237.07994	1.4
239.09517	0.7
241.11119	100.0
242.11441	0.9
243.09094	0.6
249.07948	2.1
255.09038	0.8
259.12189	71.9
260.12598	0.7
264.12701	5.4
267.09006	18.3
282.13791	2.4
285.10101	74.6
286.10492	0.8
290.10629	0.6
303.11154	34.3
304.11710	0.4
308.11649	5.7
326.12704	2.5
451.24002	0.6
477.21585	2.6
495.22681	81.0
496.23083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66264	0.6
69.03413	0.8
69.54082	3.2
70.06564	1.0
73.15693	0.5
81.03422	1.1
85.02883	0.6
91.05505	1.3
95.08602	0.6
97.02905	0.7
98.97594	0.6
101.00895	2.5
102.42461	0.5
105.07029	1.5
119.01914	2.3
119.08575	1.9
120.08149	0.7
131.01869	0.7
137.05969	1.7
143.01904	2.8
147.11685	2.0
157.03436	1.5
161.02989	1.6
175.04590	0.8
185.02888	0.6
187.00946	1.3
193.06422	0.7
203.05331	1.6
229.01851	1.0
229.12047	7.8
231.13551	2.8
245.06384	4.4
247.13017	2.2
265.12808	0.9
271.04254	1.1
279.09702	0.6
287.03784	4.8
287.06738	0.8
288.19501	0.7
289.05328	48.2
289.12494	1.4
289.20090	1.0
295.06128	0.6
307.13779	0.7
315.10828	1.3
327.07629	0.7
335.09283	0.8
339.74707	0.6
349.15030	1.4
363.08743	0.7
363.16754	1.1
375.12973	0.7
395.37585	0.6
409.17844	1.3
415.96786	0.7
445.03375	0.7
451.19662	4.8
477.11481	0.9
478.78665	0.5
495.18402	100.0
496.18576	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48819	1.7
53.03944	2.1
55.05502	2.6
57.03437	3.7
61.02926	2.4
67.05495	6.5
69.03436	3.1
69.07045	2.6
69.91534	9.2
71.04985	3.2
73.02921	7.4
76.07532	1.5
79.05473	4.2
81.03439	1.9
81.07077	8.9
82.99879	2.0
83.04982	2.3
83.08617	3.1
85.02916	4.4
91.05490	5.1
93.07050	4.0
95.04994	4.0
95.08589	4.2
97.02882	5.1
97.06493	2.3
98.20901	3.1
101.00897	17.3
102.64513	2.0
105.07035	3.1
107.08585	2.3
109.10139	2.4
111.04450	2.2
113.00868	14.9
115.02447	6.5
116.01923	1.8
119.01924	26.0
119.08641	2.7
123.04389	3.7
127.02429	4.5
127.24779	1.7
129.03917	2.8
131.01917	37.0
132.02571	2.0
133.03481	7.7
133.10114	2.8
135.11685	2.0
137.05994	3.0
142.03581	2.5
143.01909	7.6
145.03484	15.3
145.10191	1.9
149.02945	2.0
151.02370	2.7
154.03532	3.1
155.01907	76.1
157.03476	12.7
159.05045	3.0
161.02988	6.4
163.04564	2.4
167.01953	6.5
169.03455	20.4
171.05011	10.3
173.02972	100.0
175.00870	5.2
175.04532	5.5
177.07771	2.0
179.01811	2.0
181.03468	4.6
181.04935	2.1
183.04977	5.9
185.02960	12.0
187.04518	20.8
195.04932	3.1
196.04544	12.9
197.02948	7.1
199.04524	6.7
201.06181	2.3
206.11920	2.3
209.03001	5.7
211.04523	3.3
215.03999	8.5
217.01997	2.1
223.04555	4.9
225.06081	3.3
227.03996	8.6
229.01929	8.0
229.05542	6.5
233.05099	4.4
241.05679	8.8
244.34570	1.9
245.05144	5.3
247.03064	19.6
259.06650	3.1
265.14548	2.0
270.04727	4.9
275.06146	5.6
285.07611	4.1
287.06104	29.5
289.04047	36.6
295.80780	1.9
301.07773	14.1
305.07312	2.9
307.05185	23.8
330.06717	8.2
343.08752	7.5
361.09708	13.8
379.10904	37.0
397.11844	2.4
402.12494	7.0
421.12018	9.6
433.11816	3.9
435.04248	3.7
435.09860	48.8
445.12543	1.9
476.37231	2.0
495.29843	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1841
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
53.03932	0.4
54.27386	0.4
55.05512	0.5
56.96585	0.5
58.06607	0.4
58.77166	0.3
61.02934	0.4
67.34147	0.4
67.67188	0.4
68.53814	0.5
69.03436	0.6
69.07053	0.7
70.06608	0.9
70.77364	0.4
70.77690	0.8
71.11521	0.3
79.05479	0.4
81.03416	0.6
81.07062	0.9
84.08086	0.5
85.02927	0.9
85.06561	0.6
91.05508	0.9
93.07040	0.8
95.08623	0.9
98.97587	1.2
105.07042	0.5
107.01080	0.6
107.04980	0.5
109.02879	0.6
109.10162	0.7
117.06937	0.4
119.08575	1.1
123.11724	0.5
124.03954	0.6
125.16032	0.4
127.03950	0.8
133.10077	0.6
137.05977	0.7
142.03072	0.3
151.03969	0.4
174.97003	0.7
177.05573	0.6
194.82507	0.4
203.10406	0.4
207.06573	0.8
211.16864	0.5
212.17197	0.4
215.10371	0.5
229.12120	0.5
245.06352	0.4
247.13080	6.5
256.69693	0.3
260.97034	0.4
275.12497	4.6
307.12039	0.6
391.17273	2.0
409.18515	16.1
433.18677	0.5
437.69559	0.4
451.19427	37.5
452.20483	0.8
495.18387	100.0
496.18567	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39883	1.5
55.05508	2.2
57.03428	4.3
57.07080	100.0
59.05006	59.7
60.24780	1.4
67.05508	2.2
67.37310	1.5
69.07068	2.9
69.28623	14.1
69.34808	1.5
71.08634	97.7
77.04211	1.4
80.83832	1.4
83.08614	5.6
85.10187	86.7
87.04477	32.2
99.11734	11.6
101.06065	1.6
101.09660	3.5
115.35349	1.7
117.09130	19.8
139.14986	1.6
141.16385	9.5
175.13300	2.5
193.02179	1.3
199.20584	26.3
203.12798	1.9
209.70154	1.7
210.49149	1.4
213.29950	1.5
240.23430	2.4
257.24805	29.2
315.29041	2.9
352.31143	1.4
449.38126	3.2
494.40573	3.8
521.03723	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
54.42480	1.1
55.01883	2.8
55.05506	6.5
56.96552	1.7
57.03442	1.4
57.07052	1.6
59.04991	2.7
59.29247	1.0
60.04514	4.9
61.02925	2.0
62.63445	1.1
67.05512	9.6
69.03448	8.2
69.06716	1.7
69.07070	19.0
69.26091	2.9
69.26491	8.7
70.06551	1.2
71.04994	8.4
77.28448	1.0
79.05493	6.2
81.03423	7.7
81.07059	14.7
83.08627	10.4
84.08144	1.1
84.50976	1.0
85.02909	18.9
85.06532	4.1
87.00820	6.4
91.05481	7.8
93.07043	15.0
94.82470	1.2
95.04945	3.9
95.08057	1.9
95.08617	29.0
97.02905	11.9
97.06530	9.5
97.10167	2.7
98.97600	2.9
99.04455	7.8
102.05518	1.1
103.05451	1.2
105.01881	9.5
105.07011	6.4
107.08591	23.6
109.02895	6.5
109.06528	7.7
109.10161	42.9
110.97556	1.3
111.08121	2.8
111.11717	4.2
115.07562	9.3
116.98526	1.0
117.01831	1.4
119.04971	3.0
119.08577	15.9
121.06543	1.4
121.10139	16.6
123.08051	5.7
123.11708	11.4
125.09623	1.3
127.03921	14.1
127.11196	7.8
133.10133	31.5
135.11690	38.6
137.05989	3.4
137.09613	6.8
139.11160	1.5
141.09035	1.8
141.12798	1.1
143.83661	1.2
145.05002	6.3
147.04437	3.0
147.11650	4.5
149.13260	10.4
151.14883	1.4
153.12753	4.5
155.10643	1.3
159.02934	3.4
161.89355	1.1
164.07079	2.3
165.12766	3.5
166.08556	1.5
175.03926	4.1
175.07578	1.2
175.14828	66.4
177.07832	3.7
177.16391	42.5
193.15892	66.6
206.11798	8.3
207.06567	6.6
209.15337	2.2
211.16933	100.0
219.01848	2.8
231.05061	2.4
237.02766	2.7
249.06000	1.5
254.04608	2.4
269.25171	1.2
273.20541	1.3
311.07889	1.6
332.27890	3.8
337.20151	1.3
395.10208	1.5
413.11029	1.4
423.20068	2.6
441.21130	1.8
456.13354	1.5
465.73654	1.3
491.20090	1.2
494.27563	4.1
494.33856	2.2
495.16370	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.01865	3.6
55.05507	11.0
57.03430	4.4
57.07074	2.2
58.06591	2.8
59.04974	2.6
61.02916	1.6
61.40599	1.6
61.70837	1.3
65.03937	1.3
65.12270	1.5
67.05507	14.0
68.99783	1.6
69.03449	8.4
69.06718	2.3
69.07069	27.4
69.71521	9.2
70.01168	1.4
70.06582	3.0
71.05001	7.0
72.08150	2.7
77.39553	1.3
79.05486	5.4
81.03416	7.9
81.07058	16.6
83.04972	2.4
83.08627	18.9
84.04533	1.3
84.08126	1.9
85.02908	17.5
85.06535	3.8
86.09677	4.1
87.00824	7.1
91.05490	7.0
93.07040	14.3
95.04958	4.5
95.08055	2.3
95.08614	37.4
97.02886	6.6
97.06535	11.7
99.04455	6.0
99.08096	1.6
103.05452	2.3
105.01854	10.4
105.07048	11.7
107.08601	18.7
109.02877	6.1
109.06540	8.4
109.10159	50.4
111.08070	5.1
111.11725	4.0
115.07590	11.9
117.01883	1.4
119.04916	3.9
119.08589	21.4
121.02842	6.7
121.06490	2.5
121.10152	12.9
123.08105	3.2
123.11700	6.7
124.03970	2.6
125.06009	2.3
127.03918	15.3
127.11174	4.4
130.04994	1.8
132.75916	1.7
133.06451	3.7
133.10129	29.7
133.78955	1.8
135.11693	28.8
136.07574	1.9
137.05969	6.7
137.09604	6.8
141.12804	1.6
143.04912	2.3
145.04977	4.5
145.10071	1.7
147.11691	4.0
149.05946	2.6
149.13284	3.8
151.07535	3.4
151.11224	2.6
153.12738	4.8
155.10760	1.8
159.02942	1.9
161.06003	1.8
164.07060	4.5
165.08977	1.6
165.12711	2.2
165.16440	3.6
167.07071	1.5
173.13248	2.4
175.07620	2.1
175.14830	55.6
177.05527	1.5
177.16371	4.0
178.08598	5.5
182.04964	1.6
191.14230	2.4
192.10197	1.8
193.08649	14.3
193.15883	100.0
203.03339	3.6
209.15480	2.8
210.15782	2.2
211.13469	1.9
211.16965	45.7
214.77486	1.6
219.10191	1.8
228.16837	1.7
231.05049	3.3
249.06026	2.3
275.18677	2.0
284.09842	1.9
295.05948	4.0
296.06360	9.3
301.17883	3.4
307.05777	2.5
308.06348	3.8
310.07883	2.2
321.07465	3.6
322.07938	5.3
325.07382	1.9
326.07489	2.3
334.07916	2.9
349.07004	2.9
350.07632	9.6
362.07205	7.0
363.08420	1.8
364.08917	3.0
392.08469	13.5
405.19058	2.6
409.09039	4.2
410.09564	29.6
411.03568	1.6
423.20218	2.5
441.21158	6.0
448.11444	1.8
451.19104	2.1
476.10544	7.5
494.12244	8.1
494.20831	9.2
495.18423	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	494.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.9
53.74508	0.9
55.01872	1.6
55.05508	6.3
56.05052	1.2
57.03434	3.0
57.07086	1.0
59.04979	1.3
60.04531	15.7
61.02924	2.0
67.05511	8.4
69.03436	8.5
69.06787	1.1
69.07075	12.1
69.18413	1.0
70.06566	1.0
70.90935	2.2
71.05000	7.4
72.08147	3.6
73.02917	1.7
77.13338	1.1
79.05499	5.0
79.60403	1.2
81.03413	6.9
81.07062	12.9
83.04993	1.2
83.08619	5.5
84.33614	1.0
85.02914	21.7
85.06528	2.9
87.00830	5.8
91.05466	4.7
93.07047	11.8
95.04935	1.7
95.08057	1.8
95.08619	22.7
97.02898	8.3
97.06535	10.9
97.10149	1.3
99.04443	3.8
99.08090	1.8
99.36678	1.0
102.05537	1.2
105.01869	8.3
105.07053	7.5
107.08602	17.8
109.02897	5.8
109.06531	8.2
109.09467	1.9
109.10165	23.4
111.04464	1.3
111.08091	2.4
111.11741	2.1
113.09629	1.2
115.07556	4.6
119.08585	17.0
121.02937	1.2
121.06480	1.5
121.10155	8.8
123.08055	5.6
123.11713	12.2
124.83273	1.0
125.05933	1.2
127.03934	10.7
127.11175	3.2
129.01805	1.1
131.08565	1.0
133.10146	34.8
135.11710	27.5
137.05975	3.5
137.09612	6.9
139.11168	1.6
145.02831	1.5
145.04936	3.2
147.11679	3.7
149.13272	11.6
151.14796	2.0
153.12749	3.2
159.02934	1.4
164.07079	1.5
165.12790	1.5
175.14839	49.3
177.05482	4.2
177.07814	1.5
177.16388	6.8
193.15898	66.5
206.11780	3.0
209.15419	1.2
211.16945	100.0
231.05019	2.4
235.13191	1.2
249.06157	1.4
251.19348	1.1
275.67157	1.0
278.25046	1.2
284.92642	1.2
296.25879	1.5
314.26822	2.7
320.18719	1.1
332.27948	15.3
423.20209	2.4
441.21075	1.8
459.22098	1.4
494.22919	3.3
494.33969	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	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.3
65.03931	1.0
67.05518	6.7
69.07064	2.0
70.90796	1.2
70.91119	2.1
79.05488	1.7
79.44450	0.8
81.07067	5.1
83.04957	1.0
85.02875	1.3
85.06545	10.4
91.05467	2.7
93.07041	8.6
95.04986	1.5
95.08630	5.2
96.44003	0.9
99.08098	89.5
105.01856	1.5
105.07020	3.6
107.08627	6.4
109.06509	1.4
109.10165	16.0
113.25501	1.0
119.08572	5.1
121.10126	2.4
123.11714	2.2
127.03924	1.9
133.10139	24.8
135.11694	10.5
137.05969	2.2
137.09663	5.7
151.11131	2.2
165.16362	1.1
175.14844	6.3
193.15886	100.0
193.96404	0.9
288.19583	1.6
411.10834	2.1
494.29370	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93390	2.0
53.03936	2.4
55.01852	2.6
55.05501	7.9
59.04994	1.7
67.05499	14.7
69.03423	7.9
69.07056	6.2
71.57045	2.5
79.05492	4.7
81.03412	5.3
81.07058	12.5
83.04988	2.6
83.08627	5.0
85.02917	10.0
85.06539	6.4
86.09696	3.6
86.99084	2.5
87.00834	3.4
90.05598	2.2
91.05489	4.8
93.07040	7.5
95.04990	2.3
95.08613	39.5
97.02908	2.0
98.03281	1.7
99.08109	2.1
101.05975	2.2
105.01848	4.2
105.07031	5.5
106.21577	2.1
107.08618	10.7
109.02876	4.7
109.10144	29.1
111.08085	4.2
115.07584	5.0
119.08575	11.9
121.10154	5.9
123.11681	3.2
124.03958	2.6
127.03921	8.2
133.10130	13.7
135.11679	14.3
137.06010	5.4
137.09633	12.5
145.04944	2.3
147.11685	2.9
149.13229	6.5
151.07597	3.4
151.11186	2.8
163.14825	8.9
164.07027	2.3
165.16315	2.9
175.14854	15.1
181.15866	6.1
193.15883	32.2
209.11742	1.9
211.16946	100.0
229.17999	23.0
289.52783	2.0
356.14926	2.0
376.20566	1.8
459.22101	4.2
494.20935	2.0
494.27454	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	494.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30496	1.0
53.03946	9.5
55.01871	11.9
55.05511	2.9
57.03437	5.2
60.04514	2.3
61.02936	6.1
67.05495	7.6
68.99780	4.7
69.03078	1.8
69.03433	25.4
69.07063	5.1
69.25310	10.5
71.04994	7.0
73.02909	6.0
79.05500	7.5
81.03419	28.3
81.07060	24.3
83.04982	3.0
83.08614	3.4
85.02908	64.8
85.06531	1.2
87.00304	1.5
87.00837	29.2
91.03949	2.6
91.05482	10.1
93.07031	4.6
95.04973	1.7
95.08608	4.6
97.02281	2.4
97.02894	35.3
97.06514	2.9
98.06023	1.3
98.97586	1.5
99.04465	14.1
99.08093	2.4
103.05471	4.2
105.01870	22.6
105.07040	19.7
106.72305	0.9
107.04929	2.3
107.08610	5.7
108.04488	5.1
109.02885	31.4
109.06516	2.4
113.06028	1.1
115.05436	1.4
117.01854	4.3
118.04159	10.0
119.04961	5.1
119.08583	9.2
120.05680	1.6
121.06493	2.8
121.10176	9.6
123.08061	2.6
123.11712	15.7
124.05206	3.8
126.05518	2.1
127.03921	49.2
127.07534	2.0
129.01845	3.3
131.08591	1.6
133.06485	17.7
133.10101	1.6
134.07278	1.4
135.04523	1.3
135.08063	3.9
137.06003	5.9
137.13185	1.0
141.09128	1.0
145.04958	22.7
147.02962	1.7
147.04395	6.0
147.11693	39.7
150.06793	7.9
151.07538	4.0
159.01645	2.0
159.02898	17.7
161.05965	4.0
164.07079	1.9
165.09077	12.0
165.12778	29.4
175.11295	1.9
177.07901	1.4
178.08655	1.5
179.07028	3.1
183.13791	11.1
193.03188	3.8
193.08618	90.1
193.12303	4.7
194.09239	1.0
195.02904	1.1
211.13327	7.5
213.03937	4.9
229.14360	100.0
230.06584	1.8
231.05042	8.6
248.07643	2.5
308.72131	1.0
320.18829	1.2
323.12671	2.9
355.04849	1.2
422.33307	1.2
476.16479	2.4
494.25293	1.5
495.15762	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74331	0.3
53.03939	0.6
55.01874	0.6
55.05524	0.4
57.03423	0.9
62.51360	0.3
63.57160	0.3
65.03939	0.4
65.59975	0.3
66.04722	0.3
67.05497	0.4
69.03431	0.5
69.31774	1.3
69.32191	1.0
71.05026	0.3
77.03863	0.3
79.05495	3.1
81.03421	0.5
81.07053	1.0
85.02901	0.4
86.27025	0.3
90.04722	0.4
91.05486	4.8
92.06246	0.5
93.07040	0.4
95.04967	0.8
95.08572	0.3
95.12411	0.3
96.04471	1.9
98.20772	0.5
98.97623	0.3
103.05476	4.3
104.06252	0.5
105.07037	11.3
107.04955	1.2
108.05711	0.3
109.02880	1.2
109.06506	0.9
109.10151	0.4
115.05435	0.7
117.06997	0.5
118.04167	11.5
119.04958	4.5
119.08601	0.3
120.05727	1.2
121.06518	1.6
122.03641	0.3
122.07285	0.9
123.08046	0.4
124.05219	5.9
127.03943	0.3
129.83069	0.3
131.04939	0.9
133.02858	0.5
133.06500	17.9
134.07323	1.7
135.04456	1.5
135.08081	3.1
136.05205	0.4
137.05984	4.9
146.03586	0.4
147.03363	0.5
147.04427	5.8
147.08087	0.6
148.01418	0.4
149.06001	0.7
150.06778	6.5
151.07556	3.5
161.00652	0.3
161.06017	3.6
162.06749	0.4
163.07549	0.8
164.07065	0.5
165.09125	11.9
175.07545	0.6
177.07880	0.7
178.00876	0.5
178.06245	0.5
178.08611	0.8
179.07069	3.7
193.03244	4.5
193.08614	100.0
194.08952	0.6
277.50650	0.3
282.07422	3.8
302.17270	0.4
323.12848	2.6
337.10870	0.3
338.51367	0.3
355.15305	0.9
403.71390	0.3
439.41962	0.3
458.15955	0.3
476.16812	11.1
494.28625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2022
Annotation	Pyronaamidine
Peak:m/z	Relative Intensity
55.01864	0.4
61.02918	0.9
69.03426	2.4
69.35741	2.5
69.36151	0.6
70.85931	0.3
81.03385	0.7
85.02915	3.5
91.05462	1.1
94.04160	0.5
95.04931	0.4
97.02884	1.3
98.20785	0.8
99.04451	0.4
103.05455	0.6
107.04888	0.4
108.39330	0.4
109.02893	0.5
115.05437	0.6
119.04964	0.8
122.03657	1.0
131.04930	3.7
137.05984	16.3
143.04950	1.4
145.06470	1.2
147.04341	0.5
151.07555	4.0
152.86575	0.4
153.05493	2.9
159.04427	14.3
163.07489	0.6
164.07080	1.1
167.07043	1.1
168.18292	0.4
173.05989	2.4
175.07542	1.2
176.07117	0.4
179.05763	7.2
179.07184	0.6
185.08514	0.4
191.07048	7.9
191.08748	0.4
194.08138	100.0
195.08359	0.6
203.12463	0.4
205.06538	0.6
223.07648	1.0
233.05914	0.5
237.09184	0.5
249.12332	0.4
251.07161	0.9
255.10219	0.7
272.52124	0.5
283.09833	2.2
283.12375	0.4
296.93518	0.4
310.51434	0.4
315.12268	6.1
315.15683	0.7
332.14911	15.6
356.13412	3.9
491.45328	0.5
494.20224	52.8
495.20309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54778	0.4
53.03931	1.2
55.01854	1.5
57.03425	1.4
58.06604	0.4
61.02903	0.5
66.04703	0.5
67.04214	0.4
67.05495	0.8
68.99792	0.7
69.03442	2.7
69.07061	0.5
71.04996	0.5
73.02886	0.5
75.01813	0.3
79.05494	3.8
80.56464	0.3
80.75233	0.3
81.03427	3.1
81.07057	3.2
83.04980	0.6
83.08604	0.5
85.02439	0.4
85.02911	6.8
87.00830	2.1
91.05478	5.1
93.07072	0.8
95.04954	1.0
95.08604	0.5
97.02895	3.2
97.06566	0.7
98.21622	0.8
99.04453	1.4
100.35181	0.4
103.05474	3.6
105.01858	2.5
105.07038	12.2
107.04933	0.8
107.08614	0.7
108.04479	0.8
108.05731	0.6
108.30578	0.3
109.02871	3.9
109.06516	1.5
115.05437	1.0
117.07027	0.6
118.04168	11.9
119.04960	5.0
119.08593	1.2
120.05698	0.9
121.06507	1.9
121.10127	0.8
122.03699	0.5
122.07286	1.3
123.04460	0.6
123.08103	1.0
123.11714	1.4
124.05238	5.6
127.03922	6.1
131.04918	1.0
133.02831	0.8
133.06500	16.6
134.07262	1.5
135.04385	1.2
135.08067	2.6
137.05998	5.1
145.04955	2.0
147.04431	5.3
147.08072	0.7
147.11679	3.8
149.05974	1.2
150.06779	5.8
151.07556	3.4
151.83298	0.4
159.02870	1.5
161.05997	3.8
163.07553	1.4
164.07086	0.4
165.05484	0.4
165.09119	11.3
165.12775	2.9
175.07544	0.8
177.07802	0.6
178.00871	0.5
178.08539	0.4
179.05690	0.3
179.07024	2.4
183.13800	1.3
191.95401	0.4
193.03224	4.0
193.08614	100.0
194.08963	0.4
211.13266	1.1
211.17014	0.6
213.03932	0.6
229.14368	11.1
229.39929	0.4
231.05046	0.9
231.32716	0.4
248.07643	0.7
302.17459	0.6
323.12775	2.6
355.15323	0.9
355.60742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.03740	0.2
53.03951	2.7
55.01876	0.9
55.05514	2.5
57.03436	2.3
59.05021	0.9
61.02932	0.9
67.05527	0.2
69.03433	8.4
69.07056	0.2
69.99312	0.2
70.48721	0.4
70.49049	0.3
71.01372	1.2
71.04999	4.1
73.02912	1.0
79.05466	0.3
81.03421	9.4
81.07041	0.4
83.04981	2.2
83.08614	0.2
84.46265	0.2
85.02425	0.3
85.02911	4.6
87.04471	0.4
91.05469	1.2
93.07031	0.5
95.08601	0.9
97.02892	1.7
99.04459	19.4
99.08087	0.8
103.03944	6.6
103.05449	0.2
105.07021	0.4
107.04915	0.2
107.08579	0.3
109.02887	7.5
109.10162	0.4
116.05016	0.2
116.10229	0.2
117.05501	4.9
118.05952	0.2
118.06564	1.9
120.08093	0.8
124.03944	0.2
127.03918	9.1
131.05072	0.2
131.06032	0.5
132.06876	0.5
132.08087	1.2
133.10130	0.3
135.06511	1.0
135.11707	0.3
137.05986	0.4
137.09628	0.3
145.05019	0.5
145.07616	10.0
146.08412	2.5
147.09177	25.7
157.07617	1.2
157.08717	0.2
159.06488	0.6
159.09184	17.0
160.09966	3.8
161.07077	0.2
161.10730	2.0
170.08411	0.4
171.09180	1.0
172.09923	0.3
173.07079	2.4
173.10744	2.2
173.13255	0.2
174.11563	0.5
175.08672	5.0
175.10112	0.4
175.14824	0.5
178.08627	0.5
182.08372	0.5
183.09175	0.5
184.09959	1.5
185.10754	6.5
186.11545	0.8
187.08673	3.8
187.12263	1.5
189.10236	5.0
190.09723	1.7
191.08157	100.0
192.08647	1.1
193.15865	1.0
197.10750	3.8
198.11542	0.2
199.08582	1.6
199.12305	4.7
200.09483	1.3
201.10228	2.1
201.76637	0.2
202.11024	0.5
203.11792	1.2
209.10773	0.3
211.08676	0.3
211.16916	2.4
213.10217	1.6
215.08330	1.9
215.11783	3.9
216.07689	13.9
217.09825	0.5
217.13358	0.5
219.11278	0.4
225.10254	2.8
227.08194	0.4
227.11786	2.3
228.09087	0.4
229.09831	0.4
229.13414	2.2
231.11339	0.6
232.10765	0.3
233.09213	0.8
233.12834	0.5
241.09753	0.2
243.08731	0.8
243.11295	3.1
245.09279	1.9
245.12859	7.4
246.08856	0.2
253.09843	1.0
255.11104	0.3
259.10797	0.7
262.56433	0.2
263.13913	9.0
265.11194	0.2
268.08289	0.2
270.12677	0.2
271.10800	5.2
273.12216	0.3
288.13177	0.3
289.08575	0.2
289.11835	9.9
305.15002	3.1
306.14468	3.6
307.12888	43.0
308.13235	0.4
324.15576	2.0
331.12839	0.3
332.12384	2.3
345.18054	3.2
347.15820	1.1
349.13947	0.5
350.13486	7.4
352.25424	0.2
353.14798	0.2
371.16165	0.9
388.18658	0.3
389.17075	12.5
391.15030	1.3
392.02884	0.2
392.14560	0.2
396.15564	0.4
397.13992	0.2
406.19727	4.0
407.18170	0.7
408.17578	0.2
414.16809	0.2
415.15012	3.3
432.17673	7.0
433.16064	4.2
434.15778	0.9
450.18756	6.2
451.17148	22.8
452.17731	0.2
458.15411	0.3
459.22491	0.5
461.85535	0.2
476.16656	3.9
494.17703	99.3
495.18161	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	494.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03946	2.0
55.01876	0.9
55.05509	0.4
57.03436	0.7
59.04985	0.6
61.02927	0.5
64.19379	0.3
67.05501	0.5
68.99786	0.4
69.03433	2.1
69.07063	0.9
69.49961	1.9
69.50367	0.5
70.06613	0.3
70.40670	0.3
70.42251	0.3
71.01339	0.3
71.04992	0.3
73.02913	0.7
77.03928	0.5
79.05505	5.1
81.03423	3.2
81.07057	1.1
82.07406	0.4
83.08625	0.5
85.02905	5.8
86.09687	0.4
87.00831	1.9
91.05486	2.1
93.07037	0.7
95.04980	1.5
95.08604	1.1
97.02895	3.9
97.06535	0.6
98.97584	0.5
99.04472	0.9
103.03959	1.2
105.01866	1.2
105.04539	0.6
105.07023	0.7
107.04961	100.0
109.02901	3.4
109.06527	0.7
109.10132	0.6
115.05427	0.6
117.07056	0.4
119.04911	0.6
119.08589	0.5
121.06510	2.9
121.10148	0.4
127.03953	2.7
128.06216	0.8
129.01714	0.4
129.07016	0.6
131.04964	1.4
131.08577	0.6
133.06506	0.9
133.10146	0.4
135.04350	0.6
135.11708	0.4
137.06003	0.8
141.06940	0.6
143.03435	0.6
143.08575	0.9
145.04974	1.3
145.06485	1.3
145.10208	0.4
147.02879	0.7
149.05975	3.0
153.07051	0.8
157.06462	0.6
159.02893	1.1
159.08066	0.9
161.05991	1.9
163.07452	0.4
164.07050	0.4
169.06563	0.6
171.02997	0.5
171.08107	0.3
173.05986	1.7
184.07384	1.1
185.06030	1.0
187.07588	2.5
189.03935	3.4
191.07005	1.7
197.05954	2.4
203.07082	1.0
213.04004	2.2
215.07039	7.4
229.03575	0.5
231.04910	0.6
233.08138	1.1
301.07123	0.4
302.17560	2.0
319.08188	1.4
320.18692	0.4
337.09207	0.5
372.29578	0.5
494.32153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37069	0.4
58.06603	6.3
69.03408	1.4
70.06563	1.1
71.56550	0.5
76.92664	0.4
79.40102	0.4
81.03395	0.8
85.02891	1.9
90.05535	0.9
91.05484	2.2
97.02879	1.0
100.01656	0.4
100.02210	4.6
101.02547	0.8
103.05460	0.6
107.04934	0.7
109.06499	0.9
110.97482	0.5
115.05463	0.8
116.39674	0.4
116.98652	0.4
119.04918	1.3
121.02882	0.5
121.06492	1.5
122.03632	0.5
123.04416	1.4
124.03916	0.9
127.03921	0.7
129.91405	0.5
131.04929	1.0
136.07513	0.4
137.05988	11.5
141.54024	0.4
142.14810	0.4
143.04904	2.3
144.05249	0.7
146.06055	0.6
147.04387	1.0
149.04761	0.7
149.05997	1.3
150.05513	0.4
151.07526	1.7
152.07939	0.5
157.04257	0.5
161.06010	0.6
162.05516	2.3
163.06297	0.7
163.07491	0.8
164.07077	73.0
165.07236	0.9
170.96179	0.4
173.05966	0.6
175.07545	1.2
176.06963	0.6
176.08054	0.5
177.07954	2.3
178.08685	10.7
179.08609	4.4
181.06532	0.7
181.10191	0.4
183.08138	0.5
190.08704	0.8
192.10197	3.0
193.10506	2.0
194.97388	0.5
195.08148	1.3
196.08842	0.6
199.05365	1.0
205.06552	0.7
206.07292	0.7
207.08099	3.5
208.09676	0.5
209.05978	0.7
209.09650	1.0
210.06804	0.7
211.00584	0.6
211.07536	3.1
211.10991	0.4
213.09087	0.5
217.06421	2.2
218.06796	1.8
223.07674	0.6
224.08330	2.9
225.09204	1.7
227.06995	0.8
227.10698	0.5
228.11110	0.4
228.97963	0.5
234.06947	0.4
235.00740	0.7
235.07538	6.4
236.08197	0.7
237.09087	2.7
239.07066	1.0
239.10689	3.5
240.07819	0.5
241.08598	0.7
247.06030	0.4
251.07433	0.8
252.07935	1.2
252.98029	0.7
253.08556	2.0
254.09332	1.4
254.11736	0.5
255.06656	0.6
255.10155	0.7
256.07242	0.5
263.07159	0.5
265.08670	1.9
267.10187	9.3
268.10812	0.5
269.08234	1.8
269.11655	0.9
270.08850	0.8
271.09674	1.9
271.13013	0.4
283.09741	1.1
284.10471	1.2
285.11276	0.6
294.11514	0.7
295.09467	0.5
297.11203	2.3
298.10886	0.5
299.12738	4.5
300.13263	0.4
310.10675	0.5
312.12418	0.7
324.12097	0.6
325.03760	0.6
330.17108	1.7
331.11441	0.6
331.17297	4.3
340.14252	0.8
341.14417	1.2
355.01065	1.1
355.04977	1.4
381.11212	0.9
384.12662	0.9
385.13354	0.8
400.15799	0.9
401.12939	0.5
402.13565	0.7
413.12747	2.4
414.14047	1.1
423.05127	0.4
428.15067	6.1
429.15851	1.6
430.13193	1.3
432.14417	1.9
444.14322	2.3
445.15268	3.4
446.16077	1.5
447.16516	0.7
460.17590	8.3
462.19214	4.2
475.18848	0.8
484.87103	0.5
489.20413	0.8
491.15671	0.5
491.21796	29.2
493.23502	100.0
494.19766	1.1
494.23587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	0.9
69.03407	0.9
69.48691	2.5
70.06583	0.5
76.08875	0.4
85.02888	1.4
91.05476	1.7
98.20724	0.8
115.05489	2.7
116.05812	1.3
117.06984	0.5
119.04942	1.0
122.03645	0.4
123.04425	1.4
131.04944	0.9
135.04485	0.5
136.05246	0.6
137.05991	8.8
138.06339	1.4
143.04922	9.3
143.05989	0.8
144.05255	5.9
145.06451	0.6
145.15260	0.5
147.04402	0.8
149.04709	1.2
149.05855	1.0
151.07555	11.1
152.07858	5.4
160.05263	1.1
161.05904	0.9
162.05511	1.8
163.06311	4.2
163.07532	0.5
164.07074	56.5
165.09262	0.5
175.07558	7.7
176.08020	4.7
177.07845	1.8
178.08644	43.2
179.08972	26.1
181.06494	0.6
183.08163	0.5
189.09052	0.6
190.09549	0.4
192.10204	1.5
193.06522	0.4
193.10493	1.0
194.08170	1.0
196.08868	0.8
205.06514	0.7
207.08067	3.8
208.08572	0.4
209.09666	0.7
210.06856	0.5
211.07474	2.1
221.09575	0.6
222.10216	0.8
224.08330	2.1
225.09102	0.9
235.07542	4.0
236.08423	0.6
237.09109	1.4
238.06224	0.4
238.09738	0.4
239.07069	0.5
239.10648	3.0
240.07919	0.5
241.08664	1.2
242.09502	0.4
249.08925	0.5
250.09859	0.9
251.10431	0.5
252.07870	0.9
253.08670	1.2
253.12373	0.4
254.09381	0.7
254.12538	0.6
265.08728	0.7
267.10156	6.9
268.10590	1.0
269.08133	1.0
269.11795	0.7
270.08759	0.5
271.09665	1.2
281.11786	0.9
282.11932	0.9
283.09631	0.6
283.12640	0.4
284.10458	1.6
285.11154	1.0
285.14212	0.5
297.11264	1.0
299.12753	3.3
310.10349	0.4
313.14389	2.5
314.14682	5.2
326.14282	0.4
330.16837	2.8
331.17307	6.3
340.13910	8.3
341.14243	16.8
381.11313	1.0
384.31537	0.4
385.13425	0.4
413.12790	1.3
414.13892	0.9
416.14563	0.5
426.13568	0.5
428.15057	4.5
429.16068	0.8
432.14456	0.7
444.14523	1.7
445.15387	1.9
446.15930	0.9
447.16415	0.5
460.17587	5.5
462.18994	2.7
491.21765	19.2
493.23236	100.0
494.23679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	0.9
58.06569	1.2
61.46848	0.6
67.05457	1.6
69.03381	0.6
69.07032	2.2
79.05432	1.0
81.03391	0.9
81.07004	2.3
85.02885	1.0
85.06509	0.7
91.05463	0.8
92.80817	0.6
93.07008	1.3
95.05001	0.9
95.08591	0.8
98.97529	1.4
101.67963	0.6
105.07026	1.2
107.08558	1.2
109.02804	1.0
109.10123	1.5
116.98579	1.0
121.10101	1.1
127.03845	0.9
133.10112	0.6
135.08006	0.7
137.05943	1.9
164.07065	2.7
165.09076	2.4
167.03172	1.2
171.00542	3.3
177.05428	0.6
178.08629	4.0
189.01485	0.8
193.08621	1.5
227.05206	1.2
243.53352	0.6
245.07860	100.0
246.08311	1.2
271.04239	23.4
286.10464	1.9
311.11148	0.6
316.19031	1.9
329.12115	1.4
355.10016	1.9
373.11029	2.6
394.73874	0.9
407.12906	0.9
431.13293	0.9
433.23505	1.7
449.14319	11.2
449.20932	0.7
491.21927	0.7
493.13275	59.1
493.20279	5.4
493.26239	3.4
494.13443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32937	0.3
54.33352	0.3
55.71812	0.3
58.06572	0.9
65.03905	0.4
69.43606	1.3
69.44024	1.2
70.06588	0.7
91.05473	3.0
98.21478	0.7
103.05438	0.5
115.05442	0.4
117.07039	0.5
118.06503	0.5
119.04929	1.3
121.06532	0.4
123.04390	0.9
131.04887	1.2
134.05981	0.3
137.05977	5.6
143.04926	0.9
144.05295	0.5
145.06499	0.5
147.04344	0.8
149.04723	1.4
149.05975	1.3
151.07542	7.3
152.07840	0.6
161.05965	0.9
161.35521	0.4
162.05560	2.1
163.06293	0.4
164.07068	84.1
165.07391	0.4
166.08649	0.6
175.07573	0.5
176.07076	1.0
177.07860	2.1
177.09221	0.7
178.08643	10.7
179.08879	2.3
190.08719	0.4
192.10262	0.4
193.10426	0.6
195.08090	0.8
206.07303	0.4
207.08112	0.8
208.08875	0.4
209.05980	0.4
209.09592	1.1
211.07541	1.6
222.10426	1.3
223.07520	1.2
224.08353	1.0
225.09044	1.1
226.09871	3.2
227.10545	0.4
234.06615	0.6
235.07513	1.7
236.08249	0.6
237.09129	0.9
238.09856	2.0
239.06990	0.5
239.10674	2.1
240.07927	0.5
240.11554	0.8
242.09363	0.8
247.07660	0.4
249.09154	0.8
250.09894	4.2
251.07013	0.6
251.10667	0.8
253.08658	0.9
253.12274	2.8
254.09468	0.4
255.10277	1.0
256.11002	0.4
257.11746	0.6
265.08670	1.1
266.09225	1.3
267.10211	3.0
268.10788	0.7
269.08057	0.5
269.11777	0.7
270.12280	0.4
279.10376	0.5
280.10959	1.2
281.11728	4.0
282.12399	2.0
283.09674	1.7
283.80710	0.4
284.10422	0.7
285.11237	4.4
285.14462	0.7
286.11896	0.4
297.11032	0.8
298.11841	1.9
299.12729	1.4
309.11307	0.6
311.12805	1.0
313.14331	6.2
314.14581	0.5
330.17084	0.5
331.13559	0.4
331.17419	1.5
338.13788	0.4
340.14032	0.4
341.14191	1.1
347.10648	0.4
396.13541	0.7
428.15192	1.0
442.16370	0.8
444.14368	1.2
444.19327	0.5
446.16150	0.5
458.16037	1.0
460.17664	2.2
462.18207	0.4
474.19379	1.3
476.20667	4.4
491.21750	5.8
493.23355	100.0
494.23914	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	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74354	0.4
53.03953	0.6
55.01864	1.0
55.05510	3.4
58.43142	0.4
61.02913	0.6
65.03940	0.9
66.10027	0.4
67.05509	1.9
69.03442	2.9
69.07075	1.0
69.85986	0.8
69.86405	1.1
71.04999	4.3
73.02918	0.9
73.58058	0.3
76.90119	0.4
79.05507	0.9
81.03416	2.7
81.07056	1.6
83.04977	3.4
83.08618	3.4
85.02920	5.0
85.06551	1.4
87.00832	2.4
91.03961	0.3
91.05479	1.6
93.07050	2.1
95.04974	100.0
95.08604	1.0
97.02914	2.1
97.06529	1.4
97.10178	0.6
99.04461	17.5
101.60273	0.4
103.03961	0.6
105.01874	1.0
105.07046	1.3
107.08609	2.6
109.02892	2.7
109.06522	1.3
109.10188	1.8
111.08096	2.0
115.02764	0.4
115.07572	0.5
119.08598	1.3
121.06483	0.5
121.10113	2.1
123.04451	0.3
123.08032	0.6
123.11716	0.5
125.06026	0.9
125.09602	1.8
127.03936	2.9
130.49710	0.4
131.08568	1.2
133.10120	5.7
135.08073	1.7
137.06017	1.0
137.09637	0.4
139.11188	1.3
145.04967	1.0
145.10139	1.0
147.08131	0.5
147.11728	0.8
147.24368	0.4
149.06013	1.0
149.09645	0.8
149.13283	1.2
151.11200	5.4
153.09116	24.5
159.02936	1.0
163.14899	0.7
167.07108	0.8
167.14328	3.7
169.12274	0.8
173.13243	3.0
181.12204	2.1
182.36200	0.4
189.03981	1.1
189.12817	0.7
191.14317	3.7
193.15907	0.8
195.10149	0.9
209.15373	42.1
226.57529	0.4
227.16438	0.8
231.04970	0.5
233.15501	0.6
251.16382	0.6
275.16376	0.4
301.52637	0.4
317.17450	0.5
320.18356	0.5
395.78378	0.4
421.18558	0.8
439.19714	0.6
457.20697	5.1
473.74774	0.4
492.22345	1.0
499.56442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01865	3.1
55.05505	5.9
57.03428	3.3
57.07064	3.2
61.02921	2.1
65.03929	1.8
67.05508	5.9
69.03439	13.4
69.07069	4.9
69.74875	5.9
71.04987	4.5
73.02932	2.2
73.08651	0.9
79.05488	11.1
81.03423	11.9
81.07061	25.4
83.04988	10.1
83.08604	4.2
85.02431	2.1
85.02914	29.1
85.06545	1.7
87.00836	13.3
89.06019	2.3
91.05477	7.4
93.07057	12.8
95.04975	32.3
95.08595	7.9
97.02905	11.7
97.06531	7.2
98.20779	1.5
99.04469	9.8
105.01872	11.4
105.07038	19.4
107.08598	24.0
109.02882	12.7
109.06532	39.9
109.10161	16.8
109.27391	1.0
111.08081	2.8
117.01880	1.9
117.07009	1.7
119.04979	2.2
119.08591	11.8
121.06522	1.9
121.10147	16.3
123.08125	5.4
123.11704	7.1
125.09651	2.0
127.03922	21.9
127.04804	1.7
129.01819	2.0
131.08597	10.9
133.10146	53.4
135.08075	7.4
135.11705	7.5
135.30730	1.2
137.05995	1.9
139.11186	9.5
143.08591	3.3
145.04985	7.6
145.10118	6.4
147.02881	1.1
147.04442	2.4
147.11699	9.6
148.80037	1.0
149.09686	2.1
149.13258	14.2
151.11183	3.9
153.09091	12.7
158.10904	6.0
159.02882	7.7
163.11293	1.7
163.14853	2.9
165.12785	2.6
167.14297	1.4
173.13277	33.4
175.03993	1.7
175.14809	1.9
177.11211	1.2
191.14325	58.6
194.98012	1.0
207.06561	6.4
209.15382	30.6
227.16379	9.7
231.05074	4.9
457.20380	1.3
474.21219	2.0
492.23154	3.4
492.30276	100.0
493.30096	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	492.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01865	9.7
55.05506	9.3
57.03428	9.3
57.07069	3.1
59.29951	1.9
59.87530	2.1
60.37774	2.3
61.02926	9.3
64.94036	2.3
65.03932	2.4
67.05489	10.1
68.99784	2.9
69.03085	3.3
69.03430	39.4
69.07066	15.3
70.06595	4.0
71.04989	12.3
71.56601	2.7
71.57039	2.6
72.86298	2.2
73.02911	10.2
76.79025	2.7
77.46962	2.0
79.05495	15.9
79.80685	2.1
81.03416	35.9
81.07059	48.4
83.04971	9.1
83.08614	6.6
85.02907	66.3
85.06535	5.4
86.09643	2.2
87.00829	25.0
87.04478	2.7
91.03956	4.3
91.05479	24.6
93.07046	31.0
95.04978	23.7
95.08602	18.1
97.02897	27.0
97.06516	11.6
98.97580	3.1
99.04453	19.6
99.08090	15.4
105.01875	17.8
105.07038	27.0
106.02906	4.1
107.08599	67.8
109.02886	36.2
109.06531	12.9
109.10155	18.2
111.08058	7.9
117.01920	3.0
117.07014	5.3
119.04939	3.9
119.08577	16.1
121.02880	2.5
121.06535	3.9
121.10148	49.8
121.11008	3.0
123.04372	2.7
123.08057	10.5
123.11695	8.8
124.03965	29.1
124.04884	2.6
124.05203	2.1
125.05949	2.9
125.09624	5.4
127.03915	48.5
127.07558	9.3
129.01799	3.1
131.08569	8.5
133.10126	24.8
135.08073	15.5
135.11708	18.8
137.05980	19.8
137.09622	6.0
137.13246	2.9
139.11121	3.9
145.04951	19.1
145.10112	7.3
147.04469	3.0
147.11696	26.8
149.09631	7.9
149.13251	28.4
151.11166	4.6
153.09074	6.5
158.10925	2.7
159.02902	18.7
161.09564	2.9
161.13264	4.1
163.11125	3.3
163.14822	28.0
164.07053	3.8
165.12737	43.1
167.14311	3.9
173.13307	22.2
177.05470	3.4
177.07809	3.4
178.08389	3.8
179.14326	28.6
181.15839	2.7
191.14314	66.9
207.13763	5.2
209.11816	6.7
209.15366	100.0
222.16898	2.3
227.16415	97.3
230.15530	3.8
231.04948	10.0
245.36986	2.4
268.07977	5.2
274.18188	3.0
286.09177	20.3
298.10736	10.1
302.17468	3.1
320.18481	3.2
368.97061	2.4
384.21439	4.4
392.72571	3.6
394.22290	5.2
460.15952	2.7
461.24231	10.7
473.75446	5.0
482.75327	2.5
483.25464	6.8
492.20193	21.5
492.29144	3.7
500.01047	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01867	2.7
55.05506	5.5
57.03424	3.7
61.02919	2.4
61.68081	1.3
67.05497	2.8
69.03436	11.1
69.07061	3.1
70.88264	3.4
71.04980	4.6
73.02901	2.6
79.05476	5.9
81.03414	7.3
81.07071	9.9
83.04982	2.3
83.08614	5.3
85.02921	21.4
85.06542	2.7
87.00832	13.7
91.05473	5.5
93.07044	13.3
95.04970	8.5
95.08630	9.8
95.09133	2.3
97.02882	8.2
97.06528	13.7
99.04455	6.4
99.08088	2.5
105.01846	7.4
105.07033	17.7
107.08614	14.4
109.02872	6.1
109.06520	20.8
109.10165	8.3
111.08107	2.3
115.07568	6.7
117.06988	2.3
119.08598	7.1
121.02905	1.7
121.06549	1.8
121.10146	16.8
123.08073	4.8
123.11722	4.7
124.05221	3.7
125.09571	2.0
127.03942	13.1
131.08566	12.3
133.10132	100.0
134.10512	1.6
135.08075	5.8
135.11685	4.9
137.05986	7.7
145.04955	4.9
145.10124	4.8
147.11678	18.9
149.09663	3.0
149.13287	5.8
151.07521	3.6
151.11147	10.7
153.09131	6.2
158.10910	3.0
159.02866	2.4
163.11121	2.0
163.14830	6.4
164.07083	7.6
165.12738	5.6
168.07787	2.2
173.13284	38.4
174.75778	1.5
181.08630	5.6
191.14308	56.6
194.09450	1.6
209.11964	14.6
209.15370	91.0
210.15770	1.7
225.14803	1.6
227.12794	4.1
227.16418	54.7
251.12802	4.1
255.08890	2.0
270.11224	5.7
283.08530	1.9
284.12808	6.7
298.10724	30.3
299.11276	2.0
312.12372	2.7
317.13962	1.5
409.09186	2.0
475.10345	2.1
477.17780	2.3
492.20190	52.5
492.28033	2.6
492.30609	3.1
511.49634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86520	1.2
53.03942	4.5
55.01854	3.0
55.05509	11.3
55.26850	1.1
57.03426	3.9
57.83883	1.3
58.06608	1.5
59.04991	1.7
60.91660	1.4
67.05522	8.4
69.03436	13.8
69.07061	6.8
70.06587	3.2
71.04987	3.3
73.02922	2.8
77.01028	1.3
79.05493	9.4
81.03422	12.4
81.07063	20.5
83.04986	16.9
83.08622	11.9
84.04490	1.5
85.02432	1.6
85.02909	23.1
85.06546	2.9
86.09702	3.6
87.00838	10.7
87.04476	4.4
89.03906	4.0
89.06046	3.0
90.36472	1.1
91.05479	12.6
93.07046	12.3
95.04969	21.2
95.08614	7.9
95.45676	1.2
97.02898	9.6
97.06525	10.9
97.10222	2.2
98.97532	1.6
99.04462	9.5
99.08129	1.3
103.03971	3.0
104.37964	1.1
105.01878	11.7
105.07034	14.9
106.02890	2.9
107.08583	19.2
109.02902	10.3
109.06516	26.4
109.10160	30.8
111.08073	4.8
114.05560	1.5
115.07570	3.5
117.03409	9.0
117.07045	2.0
119.04911	2.3
119.08589	11.3
120.07337	1.2
121.06543	2.6
121.10146	23.5
122.06046	2.1
123.04409	2.9
123.08101	7.2
123.11722	6.7
123.36104	1.4
124.03943	5.8
125.09626	6.6
125.53461	1.4
127.03919	19.3
131.08589	11.7
133.10133	40.2
135.08047	7.1
135.11702	5.1
136.07594	2.9
137.05989	16.3
137.09619	1.6
137.13206	1.9
139.11195	2.3
143.04913	3.7
143.08542	3.8
145.02870	27.4
145.04939	8.8
145.10104	5.4
147.04433	1.7
147.11691	14.5
149.05991	4.7
149.13275	10.2
151.07549	5.8
151.11171	15.0
153.09137	14.2
154.08655	8.6
158.02751	1.8
158.10916	3.5
159.02901	3.8
163.06229	1.5
163.11198	1.3
163.14801	6.2
164.07053	5.4
165.09152	1.4
165.12753	3.1
167.07043	3.1
167.14333	17.0
171.10123	2.2
173.13277	25.8
175.07561	4.4
175.14821	7.6
177.05478	66.3
178.08627	5.2
181.08586	4.1
191.08401	1.4
191.14304	31.4
192.10167	1.4
207.06534	3.4
209.15384	100.0
210.15581	1.5
225.07387	1.6
227.12901	1.8
227.16431	17.6
231.04939	3.5
242.11705	2.3
268.08258	4.1
269.11676	3.7
270.12408	2.2
273.12653	4.2
281.11816	1.9
321.09607	2.9
324.05725	2.1
330.16934	12.2
339.10687	2.9
342.06964	1.4
354.07257	1.6
456.09903	2.6
474.10916	1.8
474.21384	5.1
492.22455	32.2
493.23273	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22597	0.7
53.03955	0.7
55.01888	0.8
56.46704	0.7
57.03426	1.4
58.06606	2.7
62.37162	0.9
69.03439	3.7
70.46248	0.8
71.55856	1.4
73.02905	0.8
73.75878	0.8
81.03415	1.5
84.04518	1.8
85.02906	4.8
90.05583	0.8
91.05496	5.1
95.05025	0.8
97.02911	2.9
100.02206	1.1
102.05628	0.8
103.05489	0.8
107.05004	0.9
109.02905	1.2
115.05463	10.0
117.07037	0.7
119.01940	0.9
119.04982	3.6
121.06502	1.6
127.03962	2.1
131.04919	1.4
136.05194	0.8
137.05984	46.4
143.04929	31.5
145.06502	0.9
148.06125	1.2
149.06032	1.1
151.07558	31.8
154.08647	8.1
160.05249	4.5
161.06047	1.4
163.06300	8.7
163.07524	0.8
164.07108	1.1
165.09169	1.8
166.08754	1.0
168.06549	1.1
174.06827	1.1
175.07555	25.6
175.08969	1.4
177.07895	5.3
178.08646	100.0
179.08659	1.6
189.09166	1.9
192.10201	50.7
195.08136	1.9
199.05453	0.8
207.08130	2.3
217.06512	2.4
219.01874	0.7
221.09662	1.2
223.07664	1.4
224.08479	0.8
226.06584	0.8
227.10815	2.1
235.07663	3.4
239.10776	2.2
250.09860	1.1
253.12370	1.6
267.10318	3.6
270.28964	0.8
281.11829	2.6
282.12653	1.6
287.12833	0.9
298.08383	0.9
299.12738	3.9
311.05270	0.8
313.14355	11.2
330.13406	3.5
330.16998	38.8
340.13919	34.9
354.07010	1.5
354.15457	2.1
356.11798	0.9
362.89749	0.9
465.73499	0.9
492.22464	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	492.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01911	0.5
69.03408	1.5
70.35336	1.5
70.35685	0.5
73.02897	0.6
75.52952	0.5
85.02891	2.5
88.03979	0.9
91.05462	1.9
91.20644	0.5
97.02849	0.7
115.05457	6.2
119.04893	1.3
122.03635	1.5
131.04939	0.9
135.08046	0.5
137.05986	38.3
143.04930	14.9
145.06450	0.5
149.05960	1.0
151.07544	6.9
157.06509	0.5
160.05190	2.0
163.07532	1.6
167.08533	1.5
168.02277	0.4
175.07561	15.1
175.09032	1.0
176.07079	0.7
177.07860	9.7
178.08778	1.1
178.41698	0.5
179.08392	0.7
192.10204	100.0
193.10718	0.5
195.07976	2.3
207.08110	2.6
209.09541	0.7
223.07462	0.9
224.08340	0.8
227.10724	3.6
235.07607	2.1
239.10696	1.7
241.08479	0.7
249.09792	0.5
255.10150	2.4
267.10126	4.8
279.11154	0.9
280.11719	2.9
287.12787	1.6
293.30579	0.5
299.12823	8.3
330.13635	1.2
330.17004	33.6
348.36279	0.5
354.15500	4.7
460.18442	0.6
492.22327	76.0
493.22641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	0.8
57.22454	0.4
61.02896	0.7
68.20702	0.4
69.03435	3.2
69.58746	2.7
73.02901	0.5
81.03397	1.0
85.02908	3.8
87.04435	0.5
97.02848	1.5
97.11446	0.4
98.20830	0.6
106.27493	0.4
109.02833	0.6
123.13522	0.4
127.03905	0.5
134.88322	0.4
137.05981	0.8
146.03154	0.4
151.07460	0.5
174.98706	0.4
175.07483	0.5
177.05434	0.6
179.08559	0.5
194.07422	0.4
195.08049	1.3
196.08907	0.4
202.08621	0.5
207.08086	0.9
209.05890	0.5
209.09583	1.9
210.10356	3.0
211.07555	1.6
216.10262	0.5
219.08044	0.6
220.08696	0.5
221.09616	0.8
222.06894	0.5
222.10387	1.3
223.07545	2.1
224.08301	0.6
225.09109	0.9
226.09946	1.9
227.10654	0.7
235.07529	1.8
237.09109	2.8
238.09894	7.6
239.06963	1.3
239.10638	2.7
240.07808	0.4
241.08598	0.9
241.12262	3.3
249.09222	1.4
250.09908	4.6
251.07014	1.1
251.10660	0.9
253.08545	0.6
253.12222	2.3
254.09430	4.5
255.10179	7.0
266.09329	1.5
267.10211	5.2
268.10846	1.4
269.08203	1.8
269.11737	18.6
270.12494	13.2
271.09662	2.3
272.10278	0.7
281.11731	11.0
282.12527	8.3
283.09662	1.6
284.10416	4.0
285.11261	0.8
286.12057	4.1
298.11755	4.0
298.14944	0.5
300.12628	0.6
301.14346	2.1
313.14355	3.1
315.14612	0.8
330.17004	62.3
331.17300	0.6
483.64685	0.4
492.22305	100.0
493.22720	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87116	0.9
55.01877	1.1
57.03436	2.2
58.23669	1.0
58.79699	1.0
59.04991	3.2
60.71794	1.0
61.02916	2.4
69.03423	2.6
69.49770	7.1
70.06579	2.3
73.02925	1.7
79.05505	1.3
80.99767	1.1
81.03399	2.9
85.02906	5.7
86.09724	2.5
89.06007	1.6
91.05476	2.8
93.03378	1.4
95.04939	1.0
97.02919	2.6
98.17110	0.9
103.07602	1.3
105.07020	1.3
107.04947	1.7
109.02880	3.3
109.10168	1.0
115.05398	1.0
119.04945	5.5
119.08508	1.3
121.02871	9.2
123.08173	1.1
125.07043	1.1
137.06030	2.3
145.10159	1.1
146.05928	1.4
147.11633	1.5
149.05905	1.1
159.04471	1.3
161.05934	1.3
164.07066	2.6
165.01836	1.2
170.21802	1.1
175.03969	1.6
176.01323	1.0
177.01810	3.6
177.07845	5.6
179.03442	4.0
189.01884	6.6
189.12787	2.4
190.13080	2.4
195.02885	6.5
199.03928	1.6
203.03386	10.4
207.02870	5.5
207.06425	1.3
207.13766	2.3
208.14178	2.0
217.04944	5.2
221.04417	2.3
227.03314	2.4
243.02945	2.0
249.03975	1.2
251.07048	1.2
255.02893	5.2
268.07227	2.5
273.04031	1.8
274.17947	2.3
279.06488	4.8
283.05896	6.7
294.05264	3.9
295.06021	100.0
296.06714	4.4
297.07626	5.7
299.05518	3.2
302.17560	4.0
307.06030	17.9
308.06668	3.1
309.00891	1.3
309.04095	2.5
309.07486	4.2
311.05502	1.2
320.06714	1.7
320.18466	3.5
321.07599	24.4
322.34348	1.1
323.05521	8.1
325.07083	45.9
325.10974	2.4
329.06586	7.6
335.05310	1.8
335.09088	15.7
337.06866	1.8
339.08820	1.9
341.06570	36.8
345.07550	3.5
348.19775	8.4
349.07065	21.8
349.11185	1.1
353.02225	1.9
353.06549	31.7
361.07092	18.4
363.08682	7.1
365.06592	1.5
367.08295	1.6
371.07645	31.3
373.07120	9.7
377.06601	2.6
379.08173	1.9
381.09854	2.1
383.07364	2.1
391.08157	8.3
394.21927	1.6
395.07623	37.8
407.07657	4.4
409.09308	1.5
419.07620	8.1
425.08713	26.3
429.22562	5.5
437.08710	21.5
451.23798	9.4
455.09766	24.9
460.24268	2.6
473.10730	19.2
473.24933	3.8
482.25790	1.5
491.11652	3.7
491.22293	1.3
491.28278	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	490.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51245	0.2
58.06582	0.2
59.66103	0.1
69.03396	0.3
70.05304	0.2
70.06553	0.3
70.29575	0.1
71.07308	0.3
84.04488	0.6
85.02882	0.6
89.03914	0.2
91.05485	0.4
93.07019	0.2
97.02882	0.3
116.07045	0.1
119.04947	0.5
135.06737	0.3
137.05978	0.3
151.07570	1.2
163.06285	9.6
164.07057	0.3
176.07057	0.9
178.08633	100.0
179.08926	0.5
205.06439	0.9
220.09863	0.2
222.06897	0.2
233.06013	0.9
237.09111	0.9
239.06406	0.5
251.06987	0.2
253.08142	0.2
255.09552	0.9
265.08594	4.8
297.11209	1.7
299.08496	1.2
312.12326	0.2
313.12921	0.2
328.15439	8.1
340.14056	1.2
345.62302	0.2
458.13174	0.2
459.16422	1.3
464.62970	0.2
471.72070	0.2
490.20743	34.2
491.21024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65138	0.2
57.03409	0.5
61.02913	0.5
69.03436	1.9
70.06593	0.3
71.04947	0.2
71.07964	0.4
73.02897	0.4
81.03411	0.4
85.02435	0.3
85.02912	4.5
86.06050	0.2
87.04430	0.4
91.05458	0.3
97.02911	0.9
99.04436	0.3
109.02865	0.5
119.04884	0.3
127.03897	0.8
130.85234	0.2
138.01646	0.2
145.04973	0.3
151.07500	0.9
163.06311	0.4
164.07051	0.7
165.07039	0.5
177.07002	1.7
178.08650	5.2
179.08658	0.2
181.10161	0.2
189.07002	0.6
190.07785	0.3
191.08502	1.3
193.06445	0.4
194.07236	1.5
204.05637	0.4
205.06503	16.1
206.07063	0.3
207.08083	0.7
207.50319	0.2
209.09616	1.2
211.07642	0.4
218.07185	0.2
219.04463	0.2
219.08076	0.8
221.05963	0.5
222.06763	6.6
222.11214	0.2
223.07529	0.2
225.09338	0.2
233.05989	19.6
234.06743	1.4
235.07588	0.7
237.09120	20.6
238.09694	0.3
239.07030	1.0
240.07845	0.5
247.07573	0.7
250.06265	4.9
251.07001	0.9
253.08536	0.6
254.09386	1.1
265.08609	100.0
266.08978	1.3
267.06528	1.5
267.09323	0.2
267.10254	0.2
280.11087	0.3
281.08255	0.3
282.08868	3.6
296.12930	0.6
297.11237	38.9
298.11310	0.3
307.09598	0.2
310.04749	0.2
311.05453	0.2
312.12213	0.2
327.10086	0.3
328.10190	0.2
328.11014	0.2
328.15451	3.7
341.06543	0.2
349.75977	0.2
353.06567	0.8
371.07681	0.3
458.19046	0.4
459.16547	29.0
460.16742	0.3
473.11359	0.3
490.20761	32.4
491.21063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19460	0.8
53.03951	1.6
55.01871	2.3
55.05505	2.5
56.96536	0.7
57.03436	1.9
58.06596	1.1
61.02919	1.9
67.05499	2.8
68.05013	1.0
69.03427	4.5
69.07064	2.2
70.06616	1.2
70.40102	0.8
71.04999	1.4
71.56077	0.9
73.02911	2.0
73.58192	0.8
79.05489	2.0
81.03413	4.6
81.07058	5.6
83.04970	1.8
83.08624	1.0
84.04473	1.0
85.02431	1.2
85.02908	15.2
85.06544	0.9
87.00848	2.3
87.04462	1.3
89.03958	1.0
91.05473	3.6
93.07053	3.2
95.04971	1.5
95.08623	3.9
97.02890	6.6
97.06551	1.7
98.97589	2.0
99.04477	2.2
105.01894	1.4
105.03380	7.2
105.07036	2.4
107.08607	3.5
109.02888	3.8
109.06519	2.9
109.10173	4.2
110.97611	1.0
111.08082	1.2
117.03375	2.0
118.44675	0.8
119.04931	1.4
119.08562	2.4
121.06528	1.3
121.10149	3.6
123.08053	2.8
123.11726	4.5
127.03896	4.7
133.10138	1.1
135.08009	0.8
135.11783	1.1
137.05988	2.9
137.09647	6.4
145.02840	4.8
145.04970	2.0
145.10092	1.2
147.08109	0.8
147.11687	4.8
149.05977	1.9
149.09630	1.3
151.07527	2.5
161.05966	1.0
161.13289	1.2
163.11186	2.2
164.07086	2.0
165.07047	3.0
165.12756	19.7
172.44136	0.8
174.05476	1.4
175.07523	0.7
177.05460	7.1
179.14313	2.1
181.15376	0.7
189.12766	3.1
191.07260	1.9
192.08092	13.1
193.60619	0.9
194.06024	4.5
194.09630	2.2
204.08142	1.5
207.13811	18.2
220.07578	28.7
221.08322	2.3
222.05214	1.2
222.08951	2.8
223.07547	1.3
224.07108	1.1
224.10724	2.4
224.17189	0.8
225.14919	1.0
231.04901	1.0
248.07022	6.6
249.07959	4.2
250.08650	58.1
252.06570	4.2
267.08911	1.2
271.05984	5.3
272.06354	9.0
277.07312	3.9
278.08127	100.0
279.08664	2.6
280.09482	1.1
282.11179	2.5
283.06033	2.6
295.08591	1.0
310.10727	53.2
326.63284	1.1
328.11816	49.0
330.84717	1.0
356.41150	1.0
356.46436	1.0
400.22458	0.9
453.16418	1.0
474.16650	1.0
490.18820	1.7
490.27567	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
54.69637	1.2
58.06598	1.5
61.02941	1.2
69.03400	1.7
69.90957	6.6
70.06562	1.5
79.05511	1.2
81.03398	5.5
85.02901	5.1
91.05466	2.8
97.02892	4.4
106.06527	2.2
108.08119	2.6
109.02889	3.3
111.49895	1.5
127.03901	2.4
128.04933	5.6
129.05357	2.4
130.06532	12.2
136.07590	8.6
156.04445	10.9
157.04814	8.5
165.07051	2.2
167.07298	2.0
168.08089	3.0
180.08035	2.8
183.09113	1.5
188.07068	20.6
189.07420	16.4
189.10475	1.2
192.08046	5.4
193.07407	2.5
193.09032	2.1
194.08267	1.4
194.09714	11.9
195.09108	3.4
204.08067	8.8
205.07552	1.7
206.08292	12.9
207.09178	42.7
208.09959	14.3
210.09143	2.4
219.09253	4.8
220.09944	8.8
221.10747	90.6
222.11467	8.2
223.12314	44.1
223.14481	2.1
224.12929	1.6
224.49084	1.5
239.11801	69.0
241.13382	3.2
241.29236	1.2
249.10263	17.1
252.08948	4.8
253.09763	1.7
253.13306	1.9
254.10527	1.9
267.11295	51.2
269.05554	1.4
281.12875	4.4
283.11530	2.2
297.09418	1.8
299.13870	10.6
310.10770	7.4
311.11029	16.8
312.11667	2.0
326.13910	33.2
327.14206	97.6
337.55945	1.3
393.09375	1.6
393.14432	27.3
400.18698	1.5
411.15527	8.1
425.17044	13.1
443.18021	2.7
457.19730	100.0
489.21384	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	489.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09366	0.7
53.03942	2.6
55.01868	1.4
55.05265	1.0
55.05515	14.9
57.03430	2.1
57.07077	8.6
59.04997	1.4
61.02930	2.0
63.65917	0.8
67.05506	31.8
69.03427	6.1
69.07069	30.3
69.36154	7.4
70.06570	0.9
71.04999	2.2
71.08629	1.7
71.69238	0.8
77.42881	0.9
79.05050	1.7
79.05492	16.0
81.03420	2.8
81.07059	100.0
83.08622	12.3
85.02908	19.4
85.06546	23.7
86.09713	1.1
86.50302	1.0
87.04544	1.3
91.05488	8.7
93.07049	27.0
95.04986	1.3
95.08610	86.8
97.02909	6.6
97.06523	3.2
97.10172	9.6
99.04453	1.2
99.08099	25.2
105.07028	11.4
107.04986	1.4
107.07870	1.9
107.08601	36.2
109.02889	3.6
109.10161	55.7
111.08079	5.2
111.11723	5.8
113.09661	6.8
117.07026	1.3
119.08573	9.8
121.10146	25.1
121.31551	0.8
123.08082	1.5
123.11711	31.7
123.53352	0.9
125.09647	4.0
125.13239	1.6
127.03941	3.5
127.11199	5.0
129.12744	2.0
131.08591	1.5
133.10150	7.4
135.11700	21.5
135.48134	1.0
137.06003	3.3
137.13258	13.7
139.11189	2.7
143.14243	1.2
145.04970	3.7
145.10112	2.4
147.08105	1.7
147.11678	7.9
149.13260	36.8
151.07494	1.6
151.14813	5.0
153.12762	2.3
155.14291	1.9
159.11754	1.1
161.05960	1.6
161.13287	6.4
163.14830	27.8
165.16389	3.9
167.14359	2.0
170.97531	0.9
175.03960	0.9
175.14854	2.5
176.08302	2.0
177.16400	14.1
179.17952	3.6
181.15883	3.7
183.17430	1.0
185.13445	0.9
189.12778	3.2
189.16385	3.6
191.06857	1.0
191.14287	1.4
191.17935	7.3
193.19545	1.9
195.17450	3.7
197.13449	0.9
197.19023	3.1
203.17966	6.3
205.19545	2.2
207.10118	1.5
207.17458	1.5
209.18980	4.4
211.20552	2.1
217.19513	10.0
219.21269	1.0
221.08138	4.1
221.19107	2.3
223.20642	2.4
231.21097	1.9
235.20480	5.4
247.24176	4.9
261.25922	1.6
265.25281	3.0
273.25775	16.1
279.26883	3.4
291.26831	38.6
309.27911	12.1
313.16223	4.4
327.28992	2.5
344.74866	1.0
489.18512	1.9
489.23129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.1
55.05511	0.1
56.96569	0.1
57.03423	0.1
59.05010	0.1
61.02919	0.1
63.15785	0.1
65.03960	0.1
67.01864	0.4
67.05495	0.2
68.99777	0.3
69.03418	0.2
69.07061	0.1
70.06579	0.2
71.56950	0.1
73.02897	0.2
79.05489	0.1
81.03424	0.2
81.07062	0.3
83.04987	0.1
83.08624	0.1
85.02909	0.6
85.06517	0.1
86.09710	0.2
89.06038	0.2
91.05478	0.7
93.07066	0.2
94.06550	0.1
95.04996	0.1
95.08575	0.1
97.02886	0.3
97.06492	0.1
98.97585	0.1
99.04457	0.1
99.08102	0.1
105.01849	0.1
105.07027	0.2
107.04961	0.1
107.08610	0.2
109.02880	0.2
109.06535	0.1
109.10170	0.2
113.02352	0.1
119.03532	0.1
119.04953	1.9
119.08643	0.1
121.02885	0.7
121.06522	0.2
121.10130	0.2
123.08077	0.1
123.11684	0.1
124.07597	0.1
125.02412	0.1
125.09636	0.1
127.03909	0.2
129.01854	0.2
131.03435	0.1
131.04929	0.1
133.02760	0.1
133.08635	0.1
133.10144	0.1
135.04427	0.1
135.08134	0.1
135.11650	0.1
137.06017	0.4
137.09576	0.1
145.02827	0.7
145.04924	0.1
145.10117	0.2
147.04422	0.1
147.08020	0.1
147.11690	0.1
149.09624	0.1
151.07512	0.1
153.01833	4.5
159.02843	0.1
161.05991	0.1
162.06750	0.1
163.03937	0.6
163.07603	0.1
165.12801	0.1
171.02890	0.4
173.06015	0.1
177.05557	0.1
178.06331	0.1
187.03827	0.1
187.07698	0.1
190.06247	0.3
191.03323	0.1
193.08597	0.2
203.07079	0.2
206.05792	0.2
209.15408	0.4
215.10921	0.1
221.08113	1.9
221.15504	0.1
225.05464	0.3
229.05017	0.3
241.17937	0.1
243.06584	0.3
247.06068	0.1
253.04906	0.1
271.06015	100.0
272.06323	0.8
339.12079	0.1
383.13705	0.1
489.10266	1.8
489.20514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02045	0.1
55.01855	0.1
55.05508	0.5
57.03434	0.3
57.07086	0.1
61.02917	0.2
64.61621	0.1
67.01865	0.5
67.05501	0.4
68.99805	0.4
69.03415	0.5
69.07074	0.8
70.06589	0.1
71.04976	0.1
71.55752	0.1
73.02892	0.1
79.05483	0.4
81.03419	0.3
81.07058	1.1
82.14084	0.1
83.08604	0.3
85.02906	4.1
85.06529	0.3
86.09717	0.1
91.05487	0.8
93.07042	0.5
95.01305	0.2
95.04965	0.2
95.08608	0.6
95.37741	0.1
97.02894	1.6
97.06525	0.2
97.10144	0.2
98.10643	0.1
98.97579	0.2
99.08064	0.1
105.07021	0.5
107.04940	0.1
107.08597	0.4
108.35512	0.1
109.02885	0.3
109.06518	0.1
109.10144	0.4
111.00814	0.1
111.11691	0.2
113.02361	2.4
119.04948	2.0
119.08593	0.3
121.02847	0.5
121.10159	0.3
122.06004	0.2
123.11713	0.2
127.03904	0.5
131.03395	1.3
131.08575	0.2
133.10132	0.2
135.04509	0.2
135.11711	0.4
137.05968	0.5
141.01825	0.7
145.02823	0.7
147.04375	0.2
147.11658	0.2
149.13235	0.2
151.07602	0.1
153.01830	4.4
157.04953	0.2
159.01683	0.2
159.02908	2.5
161.05969	0.2
163.03891	0.4
165.09050	0.2
171.02870	0.3
175.03947	0.1
177.16536	0.1
181.04999	0.1
182.09383	0.1
191.17894	0.1
201.03947	2.4
201.09097	0.1
219.04970	0.5
225.05484	0.3
229.05003	0.2
241.07640	0.2
247.05992	0.2
271.06003	100.0
272.06305	1.1
274.75269	0.1
291.26865	0.2
297.27798	0.4
309.27844	0.4
327.28931	0.3
489.10324	0.2
489.22348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.1
57.03432	0.1
67.01862	0.5
67.05499	0.2
68.76639	0.1
68.99792	0.2
69.03429	0.1
69.07045	0.2
69.42435	0.7
71.01370	0.1
73.02919	0.9
79.05465	0.1
81.03460	0.1
81.07081	0.4
83.08648	0.1
85.02908	0.4
89.06026	0.3
91.05489	0.4
93.07046	0.2
95.08598	0.5
97.02879	0.1
99.00783	0.1
99.04456	0.4
107.08610	0.1
109.10149	0.2
113.02381	0.1
117.05468	0.2
119.04952	2.1
121.02876	0.7
121.10137	0.2
123.11665	0.1
127.03854	0.1
129.01688	0.1
131.07005	0.4
133.08592	0.1
135.11719	0.1
137.06018	0.2
145.02861	0.7
149.13278	0.2
153.01826	5.2
159.11559	0.1
163.03928	0.4
163.14822	0.1
163.18341	0.1
171.02911	0.4
187.03958	0.1
218.72092	0.1
225.05464	0.3
229.05000	0.3
241.04994	0.1
243.06512	0.3
253.05005	0.1
270.05173	0.1
271.06012	100.0
272.06317	0.9
283.17587	0.1
291.26874	0.1
365.30557	0.1
392.81732	0.1
489.10330	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01846	0.8
55.05504	0.7
56.96548	0.7
61.02905	0.6
61.77508	0.5
65.03947	1.2
67.05489	1.7
69.03421	1.3
69.07070	0.8
69.93426	3.0
70.02945	0.7
70.06591	0.6
71.04978	0.6
73.02903	0.6
77.03952	0.7
79.05495	1.8
81.03419	1.0
81.07072	4.1
82.02983	0.5
82.07383	1.2
84.04492	1.9
85.02901	2.2
91.05486	7.9
93.07041	0.9
95.05003	0.8
95.08614	1.6
97.02874	1.5
98.97585	0.8
105.07033	1.7
107.04955	1.8
107.08569	1.3
108.05723	1.1
108.31940	0.5
109.02869	0.8
109.06536	0.7
109.10159	0.8
115.05469	5.8
117.07031	0.7
119.04945	4.2
119.08614	0.9
121.06518	1.2
121.10136	0.9
127.03943	1.0
131.04926	0.7
133.06433	0.6
133.10139	0.9
135.04390	0.8
135.06775	0.5
135.11737	0.6
136.05190	1.7
137.05986	12.9
138.06451	0.6
139.07559	0.6
140.03447	1.5
140.19774	0.5
143.04919	21.9
144.04492	0.5
144.05745	1.0
145.10117	0.9
146.05959	0.6
146.07198	0.8
147.11679	0.8
149.09589	0.6
150.06770	1.9
151.07542	38.2
158.07326	0.7
160.05173	1.7
161.06000	1.1
162.05502	25.8
163.06317	5.2
163.07564	1.1
164.07144	0.8
165.05484	1.9
165.09097	2.9
172.07532	1.5
174.05441	0.8
174.06769	1.0
175.07564	12.0
176.07042	5.6
177.07852	45.7
178.08636	31.1
182.08148	2.5
188.07120	1.6
189.07733	0.9
189.09193	1.2
191.07024	0.9
191.14325	0.7
200.07086	0.8
202.08624	42.9
203.09390	3.8
204.10165	4.7
205.08575	1.3
215.06911	3.8
216.06575	0.8
217.07304	0.8
230.08221	0.8
231.08907	7.0
232.09691	19.3
240.83522	0.5
244.09625	1.0
253.12044	0.7
266.09088	0.7
267.10315	1.0
279.10126	0.5
281.11685	1.1
299.12833	1.4
305.06946	0.6
308.12933	0.9
310.10791	0.8
310.14447	0.7
311.12912	1.0
313.14423	1.8
318.09750	3.6
318.13220	1.2
319.10431	6.0
323.11514	1.2
338.13876	2.9
340.15546	2.4
348.12228	0.7
356.33136	0.6
364.15405	1.3
382.16504	17.2
390.15515	4.8
410.16031	0.7
420.14151	0.6
438.15634	0.7
442.18561	1.6
452.16370	1.1
470.18112	100.0
471.18701	1.1
488.18542	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	488.192
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73570	0.4
95.04968	0.4
97.82944	0.1
98.97582	0.2
123.04427	1.3
128.04970	6.6
132.84044	0.1
133.56059	0.1
138.06657	0.2
141.71803	0.1
156.04445	13.6
158.05991	0.2
174.05539	0.5
188.07074	29.2
189.07845	2.5
252.10266	0.4
265.11014	0.2
266.08282	0.2
267.09033	0.2
267.93747	0.1
268.09784	0.3
280.09698	0.7
281.10397	0.4
282.11267	2.4
292.09756	0.3
293.10342	0.2
294.11157	0.5
296.09213	1.3
307.12607	0.1
310.10745	19.7
311.11533	1.7
326.13870	100.0
327.14151	0.9
415.17599	0.2
445.53568	0.1
465.40125	0.2
488.19189	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	488.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01857	0.7
57.03425	0.5
57.07076	4.5
59.18227	0.1
61.02912	0.6
65.03939	0.7
68.99796	0.2
69.03437	1.8
69.90031	0.4
69.90424	0.4
71.04986	0.4
73.02905	0.7
75.35824	0.2
81.03430	2.0
81.07032	0.3
85.02428	0.3
85.02908	4.2
87.00834	2.2
91.03965	0.3
91.05487	0.5
93.07061	0.2
97.02904	2.7
99.04451	0.8
105.01881	1.6
105.07033	0.3
108.04501	0.5
109.02891	2.0
111.04433	0.2
117.01801	0.2
119.04922	0.2
121.02874	2.3
121.03790	0.2
121.04107	0.2
121.06495	0.4
127.03920	3.5
127.04810	0.3
129.01810	0.2
133.96706	0.2
137.05980	0.9
139.03880	0.2
145.04958	1.7
145.10139	0.3
149.02348	100.0
150.02696	0.3
153.34824	0.2
159.02924	1.0
161.05949	0.2
161.13107	0.2
164.07076	0.3
167.03418	6.7
170.71501	0.2
175.14824	0.3
176.14085	0.2
177.07835	0.3
190.04927	0.3
202.08650	0.2
205.08598	1.6
205.16042	0.2
213.04132	0.2
218.10580	0.2
223.09660	19.1
231.05032	0.6
248.07704	0.4
252.02692	0.2
272.20163	0.3
375.97830	0.2
407.25604	0.4
453.13824	0.2
470.18021	0.6
488.22348	0.2
488.28799	1.2
488.78198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.1
53.17385	2.9
55.01870	7.5
55.05517	35.1
56.96555	4.1
57.03430	9.8
57.07072	8.7
58.06606	4.3
58.20345	3.7
61.02931	5.0
67.05506	32.0
69.03446	35.6
69.07075	50.3
70.06594	4.1
70.70960	11.7
71.04990	20.6
71.08633	3.8
73.06563	5.2
79.05493	18.9
81.03433	25.5
81.07063	100.0
83.04964	16.2
83.08616	23.3
85.02909	72.1
85.06543	7.1
87.00819	13.9
87.04478	4.7
89.30196	3.9
91.05502	23.6
93.07044	47.7
95.04958	10.3
95.08614	69.6
97.02907	37.8
97.06526	13.3
97.10166	11.9
98.97574	5.5
99.04471	9.2
99.08125	8.0
105.01851	15.2
105.07027	43.7
107.08604	52.7
109.02899	22.7
109.06526	4.3
109.10166	60.3
111.04437	4.3
111.08061	7.5
111.11716	10.9
115.03944	6.5
115.05496	3.6
119.08584	59.7
120.79266	4.1
121.06506	11.2
121.10164	29.4
122.06027	5.2
123.08112	5.7
123.11695	25.3
125.09588	7.5
127.03925	31.0
127.11185	14.5
127.82581	3.4
131.08600	8.7
133.02821	5.3
133.10129	36.1
135.08026	4.7
135.11719	66.3
137.05975	11.1
137.09674	4.1
137.13251	10.7
139.11252	4.5
143.10680	5.6
145.04950	9.9
145.10129	11.0
147.11707	31.9
149.05984	4.8
149.09647	5.1
149.13333	17.4
153.12767	10.4
159.11688	10.2
161.13255	17.2
163.11140	4.0
163.14799	6.5
164.07080	4.2
165.12737	6.3
173.06044	4.2
175.03993	3.6
175.11209	5.1
175.14885	6.4
177.16536	4.5
179.18080	4.0
191.17906	9.3
193.12286	4.2
201.05417	5.7
203.17970	44.1
205.19516	5.6
209.19031	10.1
221.19063	28.8
225.27635	3.9
231.17529	4.4
235.13298	4.7
239.20050	7.7
265.08618	7.9
289.25183	9.1
292.07254	5.5
293.08014	7.2
295.27380	3.7
307.09702	10.1
307.26218	19.2
325.10706	33.7
351.02206	3.9
469.15756	7.5
487.21671	60.8
487.32379	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	485.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29049	0.5
51.45409	0.5
57.07074	0.9
67.04593	0.4
67.05518	0.5
71.08629	0.5
74.25759	0.4
80.54919	0.4
88.07598	0.7
98.20718	1.1
102.09167	0.7
111.53804	0.4
121.82176	0.4
123.37262	0.4
126.55293	0.5
133.10072	0.5
164.07428	0.5
284.26511	0.8
290.41357	0.5
312.30069	0.5
440.41547	0.5
485.38177	100.0
486.38690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26890	0.5
57.92089	0.5
58.06593	0.5
61.37137	0.4
70.06581	1.6
70.80963	1.2
72.08157	0.6
80.05022	0.7
86.09700	1.1
91.05483	2.5
93.05795	0.9
98.00825	0.5
98.28071	0.4
98.97580	1.6
104.04986	0.5
104.94031	0.5
106.06548	4.3
108.08142	0.9
115.05467	2.2
117.05767	1.1
117.07017	2.4
118.06549	38.1
119.04936	0.5
120.08118	0.9
124.03915	0.5
130.06532	22.2
131.07323	0.7
131.11444	0.5
132.08090	1.1
136.07585	3.1
142.06494	3.0
143.07333	3.6
144.04430	0.6
144.08090	18.6
145.06561	0.7
146.06018	76.4
147.04349	0.6
150.05467	0.9
154.06490	0.7
155.06017	0.6
156.08046	0.9
160.07576	1.4
168.08072	1.1
170.06055	6.3
170.09657	0.5
179.08466	0.6
180.08141	1.1
181.08876	0.7
182.08369	0.6
188.07077	71.8
191.07265	1.1
192.08157	1.0
193.07588	1.0
194.09674	5.2
195.09181	1.6
196.11261	0.7
204.08139	2.5
205.08986	0.7
206.08279	2.0
206.09686	3.0
207.09201	12.1
208.09943	6.4
210.18573	0.9
215.08197	1.0
219.09157	1.1
220.10027	0.8
221.10744	25.1
222.11510	9.7
223.12317	26.9
238.10910	1.1
239.11739	2.3
249.10265	12.1
252.08745	0.7
253.13338	1.7
254.10489	3.9
255.14850	0.5
267.11301	31.7
268.12012	2.2
281.12839	1.1
285.12387	2.7
299.13919	100.0
300.14178	0.7
300.74130	0.5
324.12152	0.6
410.18698	2.5
450.09900	0.5
454.17563	1.7
486.10303	0.8
486.20584	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	485.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
56.96565	16.4
57.03430	0.9
57.07076	3.2
59.05013	1.1
59.05519	1.0
67.05495	2.7
69.07069	2.8
71.08619	4.2
71.95263	3.0
72.48769	1.0
83.08608	2.4
84.96030	1.8
85.10187	2.2
89.06029	3.8
93.07027	1.2
95.08595	1.4
97.10181	1.3
97.96833	1.2
98.97575	1.8
102.92632	1.7
103.03921	1.9
105.00135	1.2
110.97587	2.8
118.92093	6.6
128.98599	3.4
133.08618	2.8
136.93106	18.4
146.99681	1.2
150.85786	1.0
150.94572	9.1
150.95642	2.8
154.94179	22.9
161.01271	1.7
168.95749	36.2
172.95250	17.5
172.96590	1.7
177.95815	1.8
186.96802	79.7
190.96254	4.7
191.97392	3.8
192.95804	1.3
195.96851	2.3
204.97865	26.2
209.98430	11.5
210.96838	5.1
224.98341	9.2
226.99997	3.6
227.09431	1.1
227.99536	2.7
228.97925	7.9
232.99969	1.5
233.98511	1.0
242.99472	13.2
245.01137	1.3
246.98914	1.2
251.99611	1.2
262.07639	1.0
266.00912	1.9
279.12738	1.0
311.25842	3.1
312.26239	2.0
313.26453	5.5
315.16312	1.8
317.17880	100.0
318.18109	1.4
333.17328	2.2
335.18958	25.8
358.20502	17.9
373.20599	4.2
397.14383	1.3
411.16064	8.3
425.17636	7.0
429.17099	1.2
453.17194	29.3
467.18704	11.4
471.18234	33.4
484.47937	1.3
485.19849	48.2
494.19992	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	485.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
53.88703	1.1
55.01859	1.8
55.05503	4.1
56.28917	1.3
57.03445	8.1
58.35302	1.2
59.05004	1.6
61.02910	4.4
67.05508	1.4
68.55124	1.1
69.03428	7.9
69.07061	3.4
69.29919	7.2
69.30335	3.0
71.01353	2.5
71.05000	21.0
73.02908	5.5
75.04499	7.4
81.03429	1.5
81.07061	1.3
83.04980	7.2
83.08607	4.4
85.02910	100.0
87.04474	2.4
91.03943	2.5
91.05475	1.8
93.06985	1.2
95.01330	8.4
95.08582	1.1
97.02900	17.6
97.10178	1.5
99.04442	1.4
101.06018	1.5
103.03938	2.8
107.08636	1.4
109.02853	4.5
111.04424	7.0
113.02345	1.8
127.03914	12.9
129.05496	17.8
131.03372	1.4
141.01842	37.3
145.04971	28.0
147.06543	13.9
154.59111	1.1
159.02913	11.3
163.06061	10.4
165.07655	1.2
194.93782	1.3
197.28508	1.4
210.14464	1.1
257.05212	1.2
305.08688	4.1
309.11691	2.3
332.74612	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
55.64448	0.7
57.07077	51.3
59.05006	17.5
67.05479	0.7
69.07074	2.5
71.08634	100.0
73.06549	1.6
75.61308	0.7
82.64022	0.8
83.08613	1.7
85.10185	57.7
87.04496	3.5
89.06035	81.5
103.07590	4.5
107.07108	2.0
110.98038	0.7
111.11740	1.0
117.09191	1.2
122.04747	0.6
127.14826	8.4
130.08679	2.3
131.07085	2.5
133.08611	54.0
141.16423	1.6
167.17944	0.9
167.39462	0.7
175.09703	1.9
177.11227	36.2
184.07362	0.8
185.19000	11.7
195.12369	1.7
221.13811	4.6
227.64050	0.8
229.21652	6.2
235.06079	0.7
237.17097	0.8
239.14961	2.3
265.16629	3.4
273.13507	0.7
283.17529	34.2
323.20807	5.1
327.20102	7.5
341.21695	3.5
467.35889	15.0
484.38672	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	485.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01970	1.5
56.96581	2.0
70.09634	1.5
71.54344	1.6
71.54735	2.0
98.97587	20.1
116.98626	7.0
118.87013	1.8
134.99681	2.0
174.97614	5.1
214.95483	2.3
216.95427	4.5
216.98878	7.0
218.98454	2.0
219.02005	4.5
223.09572	1.9
232.96706	5.5
234.96449	8.2
235.00005	7.1
236.00139	1.9
240.98911	11.6
241.99118	2.9
250.97670	3.7
252.97615	4.6
256.96674	12.8
257.96915	4.7
258.96539	21.0
258.99979	35.5
260.00104	7.2
261.00055	3.4
261.03064	16.4
263.02921	2.5
264.98999	3.2
265.58817	1.8
266.24847	1.7
274.97687	17.4
275.97946	9.1
276.97610	32.5
277.01007	24.4
278.01114	3.1
283.00006	100.0
284.00189	14.7
284.99875	11.9
288.92139	1.7
292.98712	2.2
294.98615	2.5
298.97794	24.4
299.97858	10.2
300.97586	49.4
301.01086	88.3
301.98068	2.7
302.01199	14.4
303.00964	11.8
305.37308	1.8
316.95367	3.4
316.98828	30.5
317.99088	13.1
318.98679	54.9
319.02075	2.8
342.98654	2.3
358.96359	2.9
359.00223	4.0
360.99875	8.8
364.99240	2.5
376.97427	2.4
385.03333	2.2
400.96930	2.3
401.01151	6.3
406.99936	7.9
408.00204	1.7
418.99026	11.2
419.97916	8.2
425.01434	58.4
426.01306	5.1
427.01123	2.2
442.98141	38.8
443.02344	68.8
444.03000	8.6
445.01855	7.2
460.99881	78.6
461.99744	4.0
466.03802	3.5
467.02731	2.5
484.01257	4.0
484.99692	13.4
502.98825	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
51.55852	0.4
53.03957	2.5
55.01884	0.6
55.05516	0.7
56.96572	0.4
57.03446	0.6
61.02921	0.5
64.44166	0.3
67.05499	0.5
69.03443	0.6
69.07059	0.6
69.36706	2.9
71.04968	0.3
77.03935	0.5
77.51680	0.3
79.05483	0.7
81.03411	0.8
81.07056	1.2
83.13741	0.3
85.02898	1.3
86.09745	0.4
91.05487	10.1
93.07049	14.6
95.04958	2.3
95.08594	0.9
96.32938	0.3
98.97583	0.9
103.05477	10.8
105.04529	1.1
105.07062	0.7
106.06552	1.2
107.08604	0.4
109.10185	0.6
110.97646	0.4
116.98609	0.3
117.05762	0.4
118.06562	3.4
118.28682	0.4
119.04917	0.7
119.08567	0.5
120.08103	0.3
121.06511	65.8
122.06045	0.6
122.06860	0.5
124.07626	0.4
127.03931	0.6
131.07303	1.7
132.08096	1.5
133.08981	0.4
133.10115	0.6
134.09698	0.7
137.05968	1.2
143.00159	0.5
146.09671	1.3
147.04399	0.8
160.11217	3.0
164.07079	0.6
166.08636	0.5
172.11293	0.6
174.12776	0.4
184.07372	0.6
197.97768	0.3
219.01764	0.4
236.20087	0.5
237.02733	0.5
244.20584	3.7
272.20105	37.9
273.20380	0.4
283.77985	0.3
283.98856	0.3
289.05414	0.4
290.21133	9.2
329.11377	1.0
346.23807	6.5
364.24866	9.8
364.29480	0.5
410.26907	3.0
440.23044	0.5
468.15738	0.8
484.30603	100.0
485.30969	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	484.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
60.55627	0.4
61.02929	0.7
65.03934	0.9
69.03423	1.4
70.78498	0.9
79.05530	0.4
81.03417	0.7
83.04961	0.5
85.02905	3.7
91.05488	13.7
94.14066	0.4
97.02887	1.3
98.97588	0.4
107.04990	0.6
109.02863	1.5
109.06546	1.1
111.04454	1.4
113.06006	0.9
119.04958	10.5
120.08118	1.0
123.04413	1.0
127.03902	0.4
137.05988	100.0
139.03885	3.3
141.05455	5.6
143.07108	0.4
153.05434	0.6
154.08549	0.4
157.06563	0.4
164.07082	0.5
169.04970	7.1
171.06531	3.8
174.96103	0.4
187.07571	1.1
200.04739	3.3
201.05463	0.9
213.05426	0.5
215.06955	2.4
217.08632	0.5
227.06950	0.4
228.04256	0.5
241.04794	0.5
243.06519	3.6
244.09727	4.9
245.08179	1.5
260.06778	0.6
261.74207	0.4
272.09256	2.9
273.07632	7.9
278.21729	0.4
290.10257	2.3
304.11823	7.3
305.10211	9.0
322.12860	29.7
323.13242	0.6
364.13806	0.7
396.71506	0.4
430.15097	1.0
448.16089	2.3
466.17145	0.6
484.18503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03426	0.5
59.13266	0.4
61.02925	1.0
61.63839	0.4
65.03944	0.9
68.99782	0.6
69.03435	2.3
70.01474	1.2
70.06583	0.9
71.05009	0.5
77.89507	0.5
81.03400	0.9
83.04992	0.5
83.68279	0.4
85.02914	5.3
91.03955	0.7
91.05488	16.6
97.02885	2.0
98.97594	1.0
101.13903	0.5
107.04984	0.9
109.02882	1.8
109.06519	1.1
111.04433	1.1
113.02261	0.5
113.06039	0.8
118.06586	1.3
119.04954	11.2
123.04513	0.6
123.06765	0.5
125.06026	0.5
126.05497	0.9
127.03925	1.3
135.04391	0.7
137.02362	1.3
137.05984	100.0
139.03918	2.2
141.05473	5.4
145.05005	0.5
147.04425	1.0
153.05493	0.5
154.02614	2.1
154.08659	0.6
164.07028	0.6
169.04976	12.8
171.06535	1.7
187.07635	1.1
200.04713	3.6
201.05556	0.8
213.05423	0.7
215.07031	2.8
227.07132	0.5
228.04303	0.7
237.02925	0.8
241.04973	0.7
243.06499	6.2
244.09686	3.8
245.08134	0.8
260.06888	1.1
263.11682	0.5
272.09174	6.6
273.07602	7.7
290.10297	1.5
304.11807	7.2
305.10202	25.0
322.12888	28.5
364.13855	0.5
365.05386	0.6
416.13278	1.0
430.15021	0.7
434.14551	0.6
448.16083	1.4
466.16885	1.8
466.40384	0.5
484.18600	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.5
61.02919	0.5
63.86812	0.4
65.03941	0.8
69.03430	2.0
69.30388	4.5
70.06584	1.0
75.10405	0.5
81.03418	0.8
85.02912	4.5
91.05492	17.5
97.02892	2.5
98.03691	0.6
99.04452	0.7
105.63968	0.5
107.04880	0.5
109.02892	1.4
109.06487	0.9
111.04442	1.1
113.06030	0.8
119.04112	0.7
119.04951	10.5
123.04426	1.2
125.05991	0.9
126.05511	0.9
127.03919	2.0
128.06197	0.5
131.05011	0.6
135.04422	0.6
137.02379	1.6
137.05986	100.0
138.06352	0.9
139.03928	3.3
140.04695	0.6
141.05463	6.1
145.04991	0.6
147.04465	1.3
154.02612	1.9
154.08569	0.7
155.20532	0.5
157.06546	0.8
161.05940	0.6
164.07069	0.8
167.03406	0.7
169.04979	11.7
171.04300	0.7
171.06519	1.4
172.05249	0.6
185.06035	1.0
187.07573	1.9
199.07596	0.7
200.04684	3.3
213.05508	1.0
215.07065	3.6
215.56847	0.5
216.07965	0.5
228.04155	0.6
229.04918	0.9
231.06552	0.5
241.04984	0.9
243.06555	12.3
243.08984	0.9
244.09674	4.9
245.08150	1.5
259.05988	0.8
260.06839	0.8
261.07346	0.5
272.09204	14.2
273.07590	14.7
283.38971	0.5
287.09161	0.5
290.10205	4.9
304.11850	10.0
305.10223	25.7
322.12872	30.3
364.14008	1.1
416.13785	0.6
430.14865	0.8
434.14313	1.5
448.16174	2.0
452.15582	1.1
466.16895	1.9
484.18292	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	483.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.2
55.01875	3.7
55.05513	24.3
56.96548	4.5
57.03439	10.2
61.02909	2.2
65.03935	6.8
67.05508	81.1
67.80467	1.5
69.03412	4.8
69.06731	1.8
69.07074	22.1
69.54047	11.2
71.04981	5.5
79.05496	63.1
81.03420	2.4
81.07063	100.0
83.04958	5.8
83.08633	14.5
85.02884	3.9
85.06521	4.2
91.05484	60.5
92.05824	2.0
93.07049	77.2
95.04955	7.2
95.08610	58.6
97.02892	2.2
97.06531	9.1
97.10158	5.7
98.20778	2.8
98.97608	1.8
99.08074	1.8
105.04502	2.3
105.07037	50.0
107.08595	39.3
109.06516	4.9
109.10166	17.6
111.08072	3.7
115.05482	2.1
117.07025	20.4
119.08586	37.7
121.06473	3.2
121.10139	26.2
123.08040	5.9
123.11710	4.8
125.09657	1.7
128.06206	2.2
129.07019	13.9
130.07692	1.7
131.08577	38.3
133.10152	27.7
135.08064	5.0
135.11687	19.5
137.06007	3.1
137.09601	4.0
139.11162	2.3
141.06923	1.9
143.08553	14.2
143.56046	1.9
145.10133	23.9
147.11679	18.0
149.09590	4.6
149.13293	9.2
151.11140	2.2
155.08473	3.8
157.10120	11.8
159.11696	11.5
161.09651	1.8
161.13203	8.3
163.11188	2.1
163.14780	1.8
165.12730	1.7
169.10143	4.0
171.11690	11.7
173.13252	6.6
175.11179	1.5
175.14856	3.2
177.12738	4.4
179.14362	3.7
181.10162	2.0
183.11713	6.4
185.13322	9.4
187.14851	2.6
189.12746	3.3
189.16359	1.8
191.14278	2.5
195.11990	1.6
195.13799	4.8
197.13248	4.6
199.14819	6.1
201.16348	1.9
203.14351	2.7
207.13890	3.3
211.14769	3.7
213.16402	4.2
217.15862	2.3
221.15353	2.8
225.16348	4.8
227.17998	2.2
233.15320	2.0
235.16933	6.5
237.16391	1.9
243.17484	4.8
247.16943	3.6
249.18546	6.0
255.17528	1.9
257.19025	3.6
261.18436	5.7
263.20023	3.2
269.17432	3.4
271.20605	1.9
275.20090	6.4
281.10507	4.0
293.21259	2.1
325.25272	2.4
327.26703	2.6
337.25241	16.9
343.26340	11.3
345.27844	2.3
349.16888	4.9
355.22046	3.2
355.26324	43.3
373.27353	31.5
391.28409	11.6
417.29956	4.4
423.20105	2.4
429.30035	8.8
435.31152	7.9
447.31143	26.9
465.25958	2.8
465.32147	26.3
483.33691	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	483.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.5
57.03423	2.7
57.07079	100.0
58.04208	2.8
59.05003	41.4
67.05481	1.2
69.07056	4.2
71.08635	81.7
71.21542	2.1
72.05763	1.7
73.02925	1.1
75.04498	1.2
78.86942	0.9
81.07058	2.5
83.08607	4.4
85.10186	78.9
86.07287	1.5
87.04464	3.6
87.08114	1.1
89.06032	7.6
90.01912	15.7
90.06346	1.0
95.08617	2.1
95.12270	1.0
97.10160	3.3
99.11736	12.6
100.08907	1.1
101.06011	1.5
101.09635	3.0
113.13280	4.4
117.09132	12.1
133.08614	3.1
134.08942	1.0
138.14040	1.3
141.16360	3.4
148.06128	0.9
155.17896	8.4
161.49962	1.0
178.07045	1.4
179.12927	1.0
183.17468	1.4
192.08736	2.3
196.08093	1.5
198.19759	1.0
199.20566	7.2
213.22112	7.4
257.24771	6.2
271.26370	5.0
283.17493	2.8
283.84308	1.1
284.17786	1.7
437.34015	1.2
483.36118	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.8
57.03426	0.9
67.05470	1.7
69.03417	1.3
69.07041	2.3
69.20353	5.5
69.72852	0.6
71.04981	0.7
74.12053	0.6
79.05464	2.6
79.59032	0.6
81.03390	2.6
81.07057	3.5
83.08622	1.3
85.02876	1.8
89.06034	0.7
89.16863	0.6
91.05499	3.0
91.05930	0.6
93.07061	3.3
95.04906	0.9
95.08606	4.9
97.02866	1.3
97.10155	1.1
98.97585	1.4
99.04456	0.9
101.00871	0.7
105.06995	2.6
107.08587	5.6
109.02856	1.6
109.06491	0.8
109.10152	1.2
119.04951	0.9
119.08552	1.5
121.10148	7.5
127.03898	1.6
131.08559	0.6
133.10098	1.1
135.04326	0.7
135.11688	1.4
137.06004	3.5
138.06308	0.9
143.01906	0.7
157.03377	0.7
164.07076	0.6
175.04477	0.7
177.16364	2.4
185.04231	0.7
187.00938	0.8
203.05182	1.6
203.06914	0.7
227.05170	1.4
235.09380	1.2
235.16716	0.7
245.06342	5.4
271.04089	1.1
289.05310	100.0
290.05777	0.7
291.05765	1.3
379.20813	1.5
384.21390	1.1
412.62836	0.7
413.13376	1.0
421.21899	2.6
439.23022	3.6
445.15988	0.8
465.20984	25.7
467.15848	2.5
483.22009	98.3
484.22604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.40965	0.7
54.29886	0.7
55.05274	1.3
55.05516	20.8
57.03442	9.2
57.07083	8.6
67.05505	4.2
68.94748	0.7
69.07072	23.0
69.29037	5.6
71.08640	6.0
79.05475	2.3
81.07050	4.3
82.18028	0.6
82.81761	0.7
83.04958	0.8
83.08624	22.4
85.10159	3.0
93.07028	2.3
95.08600	3.2
97.06525	1.8
97.10180	14.6
98.98475	8.7
107.08601	1.4
109.10173	1.2
111.08040	1.2
111.11707	4.2
113.29727	0.7
121.10134	3.6
125.13283	0.8
135.11700	1.9
137.13229	0.8
144.72273	0.6
149.13278	1.0
149.91711	0.7
155.01082	4.4
173.02086	1.4
174.90598	0.9
237.22153	1.5
311.25815	100.0
312.26077	1.5
337.84583	0.9
447.25122	3.3
460.10873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82829	0.3
53.03939	0.3
55.05497	0.6
62.95704	0.3
67.05495	0.5
69.03432	0.3
69.07066	0.6
69.41468	1.8
70.04420	0.3
71.04966	0.3
79.05495	0.3
81.03400	0.4
81.07050	1.1
85.02895	0.6
91.05463	0.6
93.07039	0.8
95.08599	1.4
97.02893	0.3
98.97615	0.5
99.08097	0.3
105.07001	0.4
107.08607	0.9
109.02897	0.3
109.10142	0.4
111.08140	0.5
112.52968	0.2
114.29240	0.2
119.08611	0.3
121.10155	1.7
127.00090	0.3
127.03936	0.5
137.05991	0.5
147.11720	0.4
148.34938	0.3
157.03491	0.4
177.16446	0.3
185.04295	0.5
195.36292	0.2
197.98187	0.3
201.27271	0.3
203.05519	0.4
217.15742	0.4
227.05211	1.2
230.43832	0.2
235.16724	2.1
245.06178	1.3
271.04306	0.9
274.05118	0.3
289.05319	3.9
379.20856	0.7
397.21896	5.6
421.21936	2.0
439.22949	13.5
465.21017	3.6
483.22043	100.0
484.22455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39256	0.5
51.55993	0.4
55.01852	1.0
55.05482	1.7
55.53579	0.5
57.03413	1.4
57.48444	0.5
61.02897	0.7
67.05479	1.9
69.03398	1.8
69.07035	1.7
69.90848	0.9
69.91262	1.6
71.04962	1.2
79.05463	1.9
81.03416	2.5
81.07059	5.7
82.07355	0.7
83.04961	1.1
83.08617	0.7
85.02913	2.7
91.05469	4.4
92.05789	0.9
93.07045	3.0
95.04967	0.9
95.08615	5.3
97.02855	2.0
97.06516	0.6
98.97554	1.5
99.08058	1.9
105.07031	2.9
106.07374	0.5
107.08595	4.5
109.02843	1.3
109.06481	0.7
109.10126	1.4
111.08041	2.0
113.09570	0.5
116.98618	1.0
117.06943	0.5
119.04927	0.9
119.08544	1.6
120.08053	1.4
121.06477	0.6
121.10134	5.2
122.60320	0.5
123.11745	0.7
127.03864	1.5
128.06171	0.5
129.06969	0.7
130.34102	0.6
131.04967	0.4
131.08580	0.8
133.10080	1.0
135.11659	1.1
136.06190	0.6
137.05968	4.5
137.13220	0.6
138.06203	0.6
143.01901	0.7
145.06514	0.6
145.10124	0.7
147.11668	2.0
148.12024	1.4
159.11693	0.8
161.02893	1.3
161.05907	0.5
163.03877	0.5
164.07069	0.7
165.12686	0.9
167.06998	1.0
173.06039	0.8
177.16335	2.2
183.08304	0.5
187.00883	1.2
187.07523	0.6
187.14574	0.6
203.05193	1.9
213.04106	0.6
217.15947	0.8
227.05135	0.8
229.01878	0.5
235.16971	0.7
237.02763	0.7
245.06363	5.2
267.15857	0.9
268.16318	0.9
271.04160	1.0
277.16388	0.7
285.16925	1.4
286.17416	4.1
287.03790	1.1
289.05307	100.0
290.05804	0.6
303.23038	0.7
313.08701	0.5
362.19818	0.7
364.21002	0.6
384.21393	2.0
397.10562	1.0
439.12262	1.1
439.22867	2.7
451.74722	0.5
465.21024	2.1
467.16095	0.7
482.76291	0.7
483.11646	11.7
483.22067	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	483.1842
Annotation	Trp Asp Tyr
Peak:m/z	Relative Intensity
57.03434	0.4
57.69672	0.3
60.73127	0.4
69.03419	0.7
69.07072	1.8
70.06591	1.0
71.56948	0.5
72.83473	0.4
81.03440	0.9
84.08144	0.6
85.02904	1.2
85.75515	0.4
91.00941	0.4
91.05462	2.4
95.04969	0.4
97.02902	0.9
103.70465	0.4
109.02870	0.6
114.09185	1.1
119.04954	3.3
123.04453	0.7
127.03893	0.7
137.05988	7.4
140.07089	2.4
147.04419	15.4
154.08678	2.8
165.05476	0.5
168.06570	3.3
187.37115	0.4
207.05519	0.7
277.09824	0.6
447.17950	0.4
457.87146	0.4
483.18408	100.0
483.78027	0.4
484.18945	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.46627	0.2
67.05512	0.4
69.03414	0.3
69.07074	0.6
70.84061	0.5
70.84435	0.4
72.79675	0.2
79.01586	0.2
79.05496	0.7
81.03426	0.3
81.07066	0.8
83.08645	0.3
84.25544	0.3
85.02900	0.3
86.68274	0.2
90.36965	0.2
91.05505	0.5
93.07058	0.6
95.08602	1.2
98.97583	0.6
99.08124	0.2
107.08595	0.9
109.10162	0.5
111.08118	0.3
119.08566	0.5
121.06564	0.3
121.10158	0.8
124.31062	0.2
135.11700	0.4
137.06004	0.4
147.11667	0.3
149.74547	0.2
164.07069	0.2
166.63849	0.2
167.03114	0.2
177.16461	0.2
185.04274	0.6
217.42583	0.2
227.05209	1.8
235.16760	1.4
245.06429	1.6
271.04245	0.8
277.17734	0.3
289.05286	3.4
375.17029	0.2
379.20499	0.8
397.21933	4.3
421.22086	1.6
439.22977	11.7
465.21011	3.1
483.22028	100.0
484.22699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	92.4
59.05006	16.9
69.07064	3.0
70.05634	1.0
71.08635	100.0
73.02921	57.2
73.30862	0.9
83.08624	2.2
85.10187	80.0
87.04472	2.8
87.08145	1.3
89.06037	44.2
97.10191	2.0
98.20690	2.1
99.11732	10.7
103.07576	4.4
113.13248	1.3
117.05491	1.4
120.57407	1.0
127.14875	2.1
133.08615	33.1
141.16393	12.0
155.12308	1.0
161.08116	1.9
170.59935	1.3
175.09636	1.1
177.11205	10.6
185.19075	1.4
195.12294	1.9
199.20555	14.1
205.10764	4.7
221.13884	2.1
239.14915	17.7
243.23203	5.5
249.13327	5.5
260.42261	1.0
267.14392	4.4
273.49191	1.0
279.18048	1.5
283.17523	19.0
283.20407	2.1
297.19345	2.3
309.57684	1.2
315.28702	1.6
336.16962	1.1
437.34998	6.2
465.38022	7.5
467.69794	1.1
482.29724	2.7
482.36984	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	482.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
57.07080	100.0
59.05005	23.4
62.11605	1.0
68.95351	0.8
69.23461	9.4
71.08636	74.3
83.08611	1.6
85.10187	63.5
87.04498	1.4
89.06036	41.7
97.10169	2.1
98.21536	2.1
99.11740	13.3
101.09667	3.1
103.07580	1.2
105.02966	1.0
107.07089	0.9
111.11761	1.3
113.13300	4.9
117.09129	6.8
131.07010	1.2
133.08606	18.1
133.09590	0.9
147.10130	4.3
155.17955	13.7
177.11255	14.5
195.12296	12.9
213.22141	19.9
235.15453	5.3
253.16414	7.3
271.26349	11.5
283.17480	7.9
293.19577	2.4
311.20615	1.2
465.37918	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	483.0003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91945	1.3
56.96566	1.5
62.71667	1.1
70.55952	1.5
70.56280	2.8
90.69393	1.2
98.97595	12.6
116.98626	6.8
129.13387	1.2
174.97662	5.7
192.98706	3.5
198.97803	1.3
214.95654	8.2
216.98741	4.3
232.96703	16.2
234.99794	8.1
238.95758	2.4
240.98807	2.7
250.97809	6.8
256.93979	2.1
256.96713	40.5
258.99875	8.4
261.00363	1.5
261.03152	2.8
274.97757	62.7
277.01047	8.6
280.96793	3.5
283.00012	12.6
292.98792	7.2
298.97772	87.3
299.98050	2.3
301.01019	12.8
303.01010	2.1
316.98831	100.0
317.98749	3.5
334.99939	2.0
340.00412	1.9
340.98557	1.7
356.97131	1.6
359.00113	7.8
374.97867	2.6
398.97916	4.8
416.98865	10.8
422.97711	7.6
440.98953	90.9
441.99158	4.0
443.02161	2.4
458.07104	1.5
458.99951	82.3
459.99765	2.2
473.49246	1.4
482.01648	3.9
483.00293	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	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.6
55.01864	4.2
55.05518	13.0
57.03432	6.3
57.07084	11.7
59.04993	3.5
61.02930	4.9
67.05508	5.1
68.99788	2.6
69.03436	17.8
69.06724	3.8
69.07078	50.2
71.04994	8.1
71.08649	9.8
71.38009	3.9
73.02914	6.8
73.06561	11.4
81.03425	19.6
81.07039	5.5
83.08634	5.0
85.02918	56.1
85.10181	5.2
87.00845	28.5
87.04471	2.0
89.06039	30.4
91.05476	6.5
93.07048	2.5
95.08621	4.1
97.02908	34.2
98.97596	6.0
99.04455	4.8
99.11765	2.5
99.16256	2.0
105.01884	37.9
105.07053	3.1
109.02902	19.6
111.04451	2.1
111.11736	78.7
117.01838	2.3
119.04908	2.1
119.08640	2.8
121.06561	2.6
127.03934	43.6
129.01849	3.1
129.12762	100.0
137.05998	8.2
145.04982	20.4
159.02934	6.0
176.61700	2.1
199.16965	19.9
217.18005	24.2
231.04880	11.0
240.21481	2.3
249.06117	6.4
249.84009	2.4
359.17056	2.2
373.61169	2.2
482.29691	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	481.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37099	0.4
51.19284	0.4
52.13019	0.4
53.70543	0.5
56.05030	0.8
56.96564	1.0
58.06594	2.1
69.03426	1.6
69.59672	2.0
69.60091	1.0
70.06598	1.1
73.02915	0.6
85.02906	2.0
87.04434	0.5
91.05473	2.6
97.02893	1.2
98.97581	2.9
103.05453	2.5
105.07057	1.9
110.97607	0.6
115.05456	4.7
117.07011	4.8
119.04939	1.1
121.06519	4.0
122.06870	1.8
123.04421	3.5
127.03914	1.4
128.98654	0.5
129.07013	0.5
131.04900	3.8
132.08083	0.9
133.06519	1.4
136.06155	0.7
137.05981	8.4
138.09122	0.9
143.04941	5.8
145.04991	0.9
145.06505	4.9
146.06021	0.6
147.04385	1.3
149.04807	0.8
149.05998	5.4
151.07552	4.5
152.07979	0.7
157.06512	0.8
158.99638	1.4
160.07594	1.3
161.02957	0.8
161.05972	5.6
162.05562	0.9
163.07555	3.6
164.07079	16.5
165.07036	0.9
166.08675	1.7
169.10526	0.7
173.06334	0.4
175.07588	0.8
176.07100	1.5
177.00642	0.7
177.07870	0.7
178.08679	2.7
179.08594	0.6
180.10260	0.8
181.06544	0.8
185.06642	0.8
190.08627	0.6
192.10240	0.5
194.07310	0.6
195.08099	1.2
196.05222	0.6
196.11217	0.6
197.06068	0.7
198.06790	0.6
199.09421	0.5
205.06496	0.9
207.08026	0.9
209.05934	0.6
211.07573	3.8
212.08440	0.4
219.01881	1.2
221.06096	0.9
222.06754	0.5
223.07584	1.8
225.05513	0.5
225.09189	1.8
226.06094	0.5
227.07141	1.6
234.06877	0.5
235.07588	1.8
237.09106	1.2
239.06976	3.4
240.07820	1.6
241.08606	3.3
243.06509	0.6
251.06999	0.9
253.08554	2.9
254.09312	0.8
255.10204	1.8
256.07336	0.9
257.08237	1.6
258.09042	0.5
263.06891	1.2
265.08533	3.6
267.10117	1.0
268.07254	1.0
269.07968	0.5
269.99026	0.6
270.08841	1.2
271.09583	3.7
272.10529	1.0
273.08365	0.5
275.09720	0.9
282.08832	0.9
283.09705	3.2
285.11313	1.0
295.09811	0.9
297.11380	2.7
300.16058	0.6
301.16336	1.4
309.08389	0.6
310.09137	0.6
313.12140	0.8
314.09271	0.5
315.10196	0.6
319.17337	1.1
323.10703	0.7
327.10178	0.7
329.08408	0.9
341.07846	0.6
341.11789	1.6
343.09778	0.7
344.10547	0.7
351.10147	1.0
352.09961	0.7
358.12033	1.0
361.10974	0.7
369.11185	1.6
370.11447	0.5
371.08905	0.6
373.10416	0.6
373.14551	1.1
386.11505	0.7
387.12357	0.8
389.09814	0.7
401.13983	1.6
402.14606	0.6
404.12598	0.7
432.18454	0.8
434.16132	0.6
437.15195	0.8
449.16690	0.5
450.19131	17.5
464.20718	13.0
481.23386	100.0
482.23886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82915	0.5
59.50798	0.6
67.05443	0.7
69.03373	1.1
70.06519	0.5
71.04939	0.9
79.05424	1.1
81.03364	0.8
81.06976	2.0
85.02833	0.7
91.05396	1.8
93.06946	2.4
95.08615	2.9
97.02813	0.5
98.21591	1.4
99.04425	0.8
101.00823	0.7
105.07030	3.5
107.08591	3.5
115.84653	0.6
119.01827	0.9
119.08572	4.4
121.10113	1.0
127.03847	1.2
133.10149	5.3
135.11592	2.2
137.05963	3.4
143.01819	1.4
154.43443	0.6
158.35419	0.7
161.02864	1.3
162.50319	0.6
175.14751	2.0
187.00909	1.2
203.05403	0.8
204.23721	0.6
229.01891	0.7
245.06358	5.7
287.03784	1.5
289.05313	100.0
290.05551	0.8
290.08911	0.6
315.12369	0.7
321.07513	0.8
349.07068	0.6
437.21561	1.8
463.19751	1.0
481.20709	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	481.2258
Annotation	Tyr Val Ala Glu
Peak:m/z	Relative Intensity
55.54003	0.2
56.62685	0.2
58.06591	0.4
64.81530	0.2
66.42653	0.2
70.06593	0.6
71.56729	0.2
86.09706	0.3
86.99394	0.3
91.05463	0.5
102.05592	0.2
123.04441	0.3
127.03907	0.3
131.04893	0.3
136.07578	0.6
137.05986	0.5
164.07083	0.4
203.03459	0.3
204.31075	0.3
242.11760	0.3
243.12112	0.9
244.97818	0.3
272.11554	0.2
273.12326	0.4
301.11856	1.2
308.06931	0.3
319.13187	0.7
319.17242	9.5
321.07758	0.8
347.08682	0.3
349.07129	0.8
375.08636	0.3
375.18390	0.3
403.08215	0.6
421.20557	0.4
463.10284	0.3
463.17682	0.4
481.11264	2.5
481.22598	100.0
482.22842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.4
66.46602	0.4
67.05489	1.3
69.03416	0.7
69.07045	1.0
69.36286	2.4
69.36690	1.1
79.05466	1.7
81.03387	0.6
81.07031	1.7
85.02888	0.6
87.00757	0.4
91.05464	1.8
93.07053	2.2
95.08616	2.8
98.20691	0.8
99.08159	0.5
102.83969	0.4
105.07030	3.9
107.04930	0.4
107.08607	3.5
109.10133	0.8
119.01858	0.6
119.08565	4.1
121.10132	1.1
123.11693	1.0
127.03866	0.8
133.10127	5.7
135.11693	3.2
137.05968	1.8
143.01872	1.0
147.11691	0.6
158.87582	0.4
161.02969	1.1
166.04994	0.5
175.14809	1.6
179.17909	0.5
187.00908	0.7
191.17390	0.4
194.04440	0.8
201.87296	0.5
203.05315	1.7
206.66096	0.4
227.05257	0.7
229.01953	0.8
235.41371	0.4
245.06342	6.1
257.03223	0.4
271.04306	0.7
287.03754	1.3
289.05304	100.0
290.05624	0.9
301.11868	7.0
319.12833	4.0
437.15955	0.5
437.21259	2.3
463.19412	2.0
481.20447	54.1
482.20618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2047
Annotation	Briarlide H
Peak:m/z	Relative Intensity
53.03947	0.6
55.05508	1.8
56.96585	0.6
57.03435	0.7
59.05014	0.7
61.02929	1.4
63.56864	0.5
63.57249	0.6
67.05488	1.7
69.03428	2.1
69.07059	1.9
69.39079	4.6
70.06582	1.0
71.04995	0.8
73.02929	0.6
78.51676	0.5
79.05504	1.0
81.03419	2.6
81.07072	1.5
83.08623	2.7
85.02908	2.5
91.03975	0.5
91.05476	2.0
93.07037	2.2
95.08604	1.5
97.02892	1.3
97.10161	1.2
98.21519	1.4
98.97614	1.1
105.01920	0.6
105.07030	2.0
107.08595	2.0
109.02870	1.7
109.06571	0.8
109.10135	1.8
117.07043	1.0
119.08559	3.5
121.06480	0.7
121.10156	0.7
127.03957	3.4
133.10138	1.7
134.77205	0.5
135.11665	0.8
137.05968	4.9
139.14839	0.7
145.10129	0.8
147.11681	1.2
149.13368	0.6
151.69565	0.6
157.10114	0.7
164.07066	0.7
173.13376	0.7
175.14864	2.2
185.04155	0.5
203.05299	1.1
213.12418	0.8
215.20039	1.0
227.05399	1.1
233.15251	1.7
236.34377	0.6
237.30234	0.6
245.06332	5.1
267.09247	0.8
271.04337	0.7
287.03656	0.8
289.05313	20.5
349.92825	0.6
368.75360	0.8
395.20520	2.7
419.20572	1.7
437.21521	7.8
449.77881	4.1
450.27936	1.3
463.19452	7.6
471.79517	1.2
481.20468	100.0
482.20770	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1118
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
50.87937	1.1
56.96566	3.2
63.81146	1.1
71.46837	1.1
71.66708	1.1
74.05345	1.1
80.82661	1.3
81.03408	1.7
84.96027	1.8
85.02904	2.2
85.70980	1.0
95.08599	1.3
98.97585	17.3
107.08600	1.9
108.53996	1.0
110.97574	8.3
112.99167	1.1
114.50138	1.2
116.98611	4.7
127.03888	1.4
128.98625	5.5
133.10149	2.3
137.05949	3.6
143.00159	1.3
158.99724	1.3
170.99706	1.8
193.01427	1.2
201.00735	1.7
219.01761	13.1
234.10159	1.3
236.03688	2.7
237.02869	8.5
254.04663	8.6
255.03703	1.2
272.05893	1.3
283.04910	2.5
289.05286	13.7
293.07068	4.3
311.07886	5.5
314.04507	1.4
332.06091	1.9
347.08163	2.2
365.09082	3.4
395.10080	10.4
413.11166	10.1
437.12039	12.4
481.11127	100.0
481.20020	3.2
482.11636	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.0
53.04182	1.5
55.01870	1.5
55.05494	4.5
55.26464	1.1
57.03452	2.3
61.02908	3.4
67.05492	4.1
69.03438	13.7
69.07063	3.0
70.06588	2.3
71.04994	12.0
73.02885	2.5
79.05492	4.1
81.03423	22.6
81.07061	8.0
83.04955	1.5
83.08611	2.6
84.04478	1.3
85.02911	15.2
85.06547	2.1
86.09702	2.3
87.00834	3.5
87.04424	1.8
89.06043	2.3
91.03958	1.2
91.05479	9.1
93.07037	4.2
95.04945	2.7
95.08612	7.1
97.02897	13.4
97.06522	2.8
98.97590	2.0
99.04462	6.6
100.11266	1.5
105.07033	5.9
107.04984	2.1
107.08586	5.1
109.02882	15.1
109.06542	1.5
109.10143	3.8
111.04437	2.8
115.03959	1.5
115.05494	1.1
116.06419	1.1
116.98650	1.6
117.05502	8.9
117.06990	1.5
119.04086	1.0
119.04935	3.0
119.08602	12.6
120.08155	1.4
121.02866	1.1
121.06508	2.4
121.10136	4.0
122.03642	3.5
122.06037	1.3
123.04436	2.5
123.11685	2.6
127.03924	24.5
129.01855	2.1
129.05504	1.6
130.06453	1.4
131.04857	2.0
131.08595	1.9
133.10120	12.5
135.04370	1.2
135.11671	2.3
135.42244	1.2
136.07561	1.3
136.19739	1.1
137.05984	35.2
138.06386	1.1
142.08621	1.5
145.04965	2.4
145.10101	2.9
147.04434	1.5
147.11711	3.0
149.05922	1.2
151.07483	2.7
157.07619	1.4
157.10141	1.8
161.05986	2.7
163.03925	1.4
163.07588	2.0
164.07059	5.3
165.05498	1.4
171.02953	1.2
173.13234	1.5
175.14818	7.2
177.05510	1.4
178.08591	1.6
182.54816	1.2
184.07362	1.2
185.04283	1.6
193.04973	1.5
197.08086	2.9
202.08643	2.0
213.03969	3.0
215.09109	1.3
215.14275	3.0
219.39384	1.2
227.05217	2.0
231.04916	2.3
233.15263	3.4
245.06410	6.5
247.24133	1.8
265.08569	1.8
271.04193	3.7
285.11276	2.1
285.16962	1.7
287.03903	1.2
288.19836	1.5
289.05307	100.0
290.05548	1.6
297.11240	2.4
301.09189	3.6
320.18695	1.4
321.07404	1.5
349.07108	1.7
357.08099	1.9
369.20840	2.0
375.09363	1.4
391.21899	1.4
394.22482	1.8
395.20526	7.0
400.22253	1.9
437.21448	12.8
463.19519	40.3
472.24103	1.9
480.80499	10.6
481.20389	89.2
481.30536	4.6
487.06415	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.4
55.06136	1.5
57.03435	3.6
57.07080	99.0
59.05005	56.1
67.05519	1.7
68.87965	1.6
69.07072	5.5
71.08636	94.2
73.02922	45.6
81.07091	2.9
83.08646	3.6
85.10189	100.0
87.04482	2.8
95.08631	2.6
97.10196	3.0
98.20576	2.4
99.11730	12.8
101.09679	9.6
117.09146	16.0
141.16409	8.6
148.30795	1.6
154.85587	1.6
169.08646	2.6
175.09691	2.5
189.11246	2.1
199.20576	25.4
213.22107	2.1
240.23187	3.3
257.24780	24.4
297.35391	2.0
315.29016	1.7
421.36844	2.5
435.36871	4.2
480.38544	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	480.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.7
57.03419	1.3
57.07079	100.0
59.05006	35.2
69.07059	2.7
71.08636	83.6
72.08973	1.0
73.02924	32.9
74.29613	0.9
76.62959	0.8
83.08617	2.8
84.20692	0.8
85.10188	72.3
87.04478	1.4
89.06020	2.6
97.10185	2.4
99.11742	13.9
101.09669	3.7
111.11721	1.1
113.13313	5.3
117.05493	1.5
117.09138	18.3
132.93346	0.8
141.16339	1.3
155.17950	11.5
175.09656	4.6
193.10812	1.2
199.20581	1.3
210.71233	0.8
213.22142	17.2
233.13553	0.9
254.24841	1.6
268.59125	1.0
271.26303	19.3
435.37299	1.7
480.38208	2.8
481.36533	1.1
505.44653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.0
57.03429	3.6
57.07080	100.0
57.99512	0.9
59.05005	62.6
69.07063	3.0
71.08636	77.3
71.47001	1.6
81.85474	1.0
83.08613	3.7
85.10187	66.0
97.10162	3.7
99.11733	16.1
101.09633	3.7
108.83206	1.2
111.11769	1.5
112.58173	0.9
113.13277	6.0
115.07583	1.1
117.09136	27.6
127.44804	1.0
139.07553	1.8
152.06186	1.1
155.17944	10.8
175.13342	4.5
183.40233	1.0
193.14290	1.3
213.22141	20.1
233.17493	2.7
254.24631	1.2
271.26340	23.2
329.30524	1.5
421.36868	5.7
463.39911	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01861	4.0
55.05513	22.9
57.07080	32.8
59.04995	4.3
67.05510	19.7
69.07073	49.9
71.05000	23.4
71.08640	24.2
79.05486	7.3
81.07066	74.2
83.08619	37.2
85.10172	15.6
86.11073	3.4
89.06026	14.9
92.33948	3.6
93.07038	9.1
95.08617	46.8
97.10182	31.0
99.04458	12.3
107.08618	6.3
109.06502	10.9
109.10167	34.5
111.04453	4.9
111.11716	21.2
111.78609	3.5
119.08619	4.7
121.10170	11.0
123.11708	23.7
125.06001	65.2
125.13260	9.6
127.03899	25.9
132.94444	4.6
133.08604	6.3
135.08116	3.6
135.11739	5.7
137.05983	100.0
137.13211	8.1
139.07552	7.5
147.11691	5.4
149.13196	7.0
151.07549	7.9
151.14827	5.2
157.10101	6.1
161.13362	5.0
163.14973	3.6
167.07042	49.9
175.11235	5.9
179.07086	4.3
198.10335	4.8
213.12700	5.1
219.13901	5.1
283.17484	7.0
283.29828	4.0
308.86334	3.6
317.32132	5.2
335.33279	6.6
383.33133	7.3
401.34125	7.0
425.34232	6.1
443.35504	4.6
461.36273	7.1
479.24231	4.4
479.35022	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01857	7.6
55.05275	1.8
55.05519	31.1
57.07084	30.4
59.04992	7.6
65.35782	1.8
67.05513	14.0
69.07075	53.0
71.04998	24.0
71.08645	20.8
71.55175	2.3
75.49360	1.8
79.05514	11.6
81.07066	72.9
83.04967	3.5
83.08144	2.6
83.08627	39.9
85.06532	4.8
85.10198	16.9
89.06049	11.2
93.07034	7.7
95.04946	2.0
95.08620	60.0
97.06544	3.3
97.10169	39.7
99.04480	10.4
99.11730	2.9
105.07058	3.0
107.04989	2.7
107.08591	7.4
109.06538	12.8
109.10163	35.2
111.04482	3.5
111.08103	3.6
111.11722	23.9
113.06038	5.0
119.08572	4.4
121.10144	9.0
123.11715	23.3
125.06003	85.3
125.13216	10.1
127.03912	28.8
131.08679	2.7
133.08597	3.9
133.10138	4.0
135.11691	6.9
137.05991	100.0
137.13268	16.3
139.14816	2.6
143.14334	1.9
145.10205	3.9
147.11650	2.7
149.13284	3.8
151.07556	6.2
151.14781	4.5
157.10191	4.3
159.11679	5.6
161.09613	3.4
161.13246	3.7
163.14810	5.2
165.16374	4.3
167.07053	59.9
171.11670	8.0
173.09525	2.2
175.11162	4.8
177.12732	2.2
179.18018	2.7
185.13220	3.2
189.12737	4.5
191.10661	2.3
191.18042	2.9
193.12206	3.2
197.13297	2.3
198.10431	6.5
205.12279	4.1
207.21124	2.0
213.12779	9.1
213.75165	1.8
215.14372	2.7
219.13716	4.7
235.13177	2.0
283.17447	2.3
283.29984	3.7
317.32083	5.9
335.33005	15.2
353.34210	4.5
353.50656	2.0
383.33203	6.6
397.34698	5.1
401.33914	4.1
407.33231	2.7
425.33954	8.6
443.35297	5.4
461.35971	11.6
469.06824	2.1
479.35733	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	479.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.3
55.01852	7.1
55.05512	46.7
56.96572	2.1
57.03436	12.8
61.03370	2.2
61.44272	2.2
65.03934	6.8
67.05505	73.0
69.03411	4.7
69.07074	37.8
70.16691	9.7
71.04979	7.2
73.02875	2.6
78.29737	2.1
79.05070	3.4
79.05499	65.4
79.16212	2.1
81.03411	6.6
81.06580	3.7
81.07059	88.1
83.04973	8.7
83.08624	37.6
85.02905	6.8
85.06537	6.0
91.05481	100.0
93.07047	63.1
95.04972	14.6
95.08607	55.4
97.06525	13.9
97.10188	11.8
98.97560	6.8
103.05460	6.0
105.04501	2.9
105.07035	73.0
107.04920	12.0
107.08592	33.3
109.02843	2.3
109.06518	12.0
109.10159	13.6
111.08090	12.6
111.31059	2.4
115.05456	14.5
116.06225	4.7
116.98638	2.9
117.07024	67.6
117.31841	2.2
119.04886	4.2
119.08590	40.4
121.06523	9.2
121.10157	23.1
123.08071	9.2
125.09608	5.3
127.03905	2.5
128.06229	13.8
129.07016	71.1
130.07790	4.9
131.04884	2.6
131.08572	90.3
133.06470	12.3
133.10129	24.8
135.08049	8.7
135.11714	11.2
137.05977	3.9
137.09624	5.0
139.11122	3.8
141.07002	30.5
142.07776	11.3
143.07494	3.6
143.08572	64.2
145.06519	14.0
145.10147	37.2
147.08058	12.4
147.11688	14.0
149.09615	16.5
149.13202	5.3
151.11191	4.4
153.06990	7.0
153.09044	2.8
154.07826	5.2
155.08566	50.2
155.09857	3.7
156.09322	3.8
157.06494	3.1
157.10120	31.6
159.08044	8.6
159.11710	23.8
161.09651	6.3
161.13190	3.2
163.11145	7.7
165.07008	7.0
165.12753	2.6
166.07780	3.7
167.08557	21.4
168.09323	2.9
169.10129	27.0
171.08061	7.5
171.11699	21.4
173.09605	6.5
173.13246	8.5
175.09715	3.2
175.11157	7.9
175.14742	2.4
177.12733	9.0
179.08557	11.6
181.10117	21.3
183.11673	19.8
184.07249	3.1
185.09633	3.1
185.13272	15.2
187.11197	7.2
187.14812	5.1
192.09186	2.2
193.10146	8.7
193.12143	3.2
195.11737	21.9
195.13484	3.3
197.09619	2.8
197.13283	16.1
199.11221	5.3
199.14835	6.2
201.12759	5.3
203.14281	3.4
203.27837	2.6
205.10381	2.9
207.11700	9.6
209.13286	13.1
211.14810	10.5
213.12747	7.7
213.16344	5.1
215.14410	12.2
217.10123	2.8
217.12224	2.7
219.13647	3.7
221.13260	18.6
223.14850	21.1
225.12720	5.3
225.16452	4.6
227.14305	5.6
227.18135	2.6
231.13857	3.3
233.15417	3.7
235.14905	12.2
237.12654	3.0
237.16435	5.4
239.14302	11.8
241.15947	5.5
243.13860	3.5
245.15414	4.8
247.17033	3.0
249.16487	2.7
251.14282	2.9
253.15871	7.4
257.15421	10.8
271.16852	11.2
275.16379	5.1
278.73367	2.6
285.18536	5.3
295.24243	2.6
305.22568	5.8
307.19034	10.4
315.21014	5.2
323.23801	13.3
326.17410	2.6
327.18256	6.8
333.22156	35.4
341.24606	19.0
351.23196	95.0
359.25702	5.6
369.24228	68.7
387.25357	37.0
393.15610	3.0
443.27914	42.4
461.28961	50.9
479.17609	2.8
479.30002	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	479.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.9
55.01868	7.3
55.05270	3.4
55.05513	45.1
57.03427	8.9
57.07075	2.0
59.04992	2.4
65.03927	6.7
67.05506	81.8
69.03424	4.4
69.07071	31.7
71.04979	8.0
71.21153	3.9
79.05492	69.5
81.03416	7.4
81.07059	82.6
81.28536	2.1
83.04995	10.6
83.08139	3.1
83.08624	34.7
84.08157	2.5
84.42935	2.2
85.02891	5.4
85.06532	9.1
91.05486	100.0
91.81992	2.2
93.06471	3.7
93.07044	64.9
95.04973	15.2
95.08614	47.4
97.06525	12.1
97.10160	16.4
98.20916	2.2
99.08025	3.0
103.03951	2.2
105.04513	2.3
105.07029	66.6
107.04954	22.7
107.08596	30.7
109.06509	9.5
109.10158	17.2
111.08060	5.8
111.11718	2.8
113.06007	3.5
115.05460	8.8
116.06231	5.8
117.07018	63.4
118.82556	1.9
119.04966	5.0
119.08584	44.7
121.06524	18.2
121.10134	21.2
123.08075	9.6
123.11676	4.2
125.09625	7.2
127.07536	2.8
128.06230	18.1
129.07007	72.2
130.07800	4.2
131.04938	3.8
131.08577	97.6
133.06474	14.5
133.10139	27.7
135.08067	10.2
135.11687	9.7
137.05988	3.7
137.09612	4.2
139.11153	6.5
141.06993	28.2
142.07756	6.1
143.08563	57.2
145.06441	13.6
145.10114	36.4
147.08063	14.8
147.11713	13.5
149.06001	2.6
149.09589	11.5
149.13251	3.7
151.11191	2.7
153.06979	5.7
154.07765	4.9
155.08559	47.9
157.06421	5.2
157.10129	31.3
159.08043	8.9
159.11717	18.8
161.09589	6.0
161.13326	4.2
161.62828	2.2
163.11183	6.1
165.07057	6.3
165.25887	2.2
166.07732	2.4
167.08598	15.9
168.09360	3.4
169.10118	18.5
171.08025	5.2
171.11664	17.4
173.09576	5.2
173.13254	6.8
175.09729	3.1
175.11197	5.5
177.12746	8.4
179.08545	8.3
179.10725	2.9
180.09290	2.8
181.10139	20.9
183.08028	4.4
183.11658	15.8
185.09647	5.5
185.13240	11.3
187.11205	7.4
187.14771	2.4
189.11185	3.6
189.12746	3.9
193.10130	7.6
195.11668	20.8
195.13304	3.1
197.09662	3.0
197.13252	10.9
199.11195	3.3
199.14789	3.5
201.12753	6.8
203.12697	3.4
205.12152	3.5
207.11754	8.5
209.13261	13.5
211.11143	2.9
211.14792	8.8
213.12840	5.3
213.16409	4.5
215.14319	5.2
217.15892	4.9
219.11710	4.7
219.13734	3.4
221.13336	17.9
223.14824	18.8
225.12680	6.3
225.16370	4.8
227.14406	3.5
229.15982	2.4
231.13876	2.8
233.13321	5.3
233.15295	15.0
235.14810	7.7
237.12634	2.8
237.16524	4.7
239.14291	9.5
239.17976	3.0
241.15962	5.5
243.13728	2.7
245.15388	3.8
247.16927	2.9
249.16594	4.2
253.15858	6.9
257.15326	8.2
259.17093	2.5
269.15341	2.8
271.16956	14.6
275.16309	3.2
285.18445	3.1
305.22406	3.5
315.21005	5.6
323.23779	10.8
327.18286	3.7
333.22110	26.8
341.24686	20.6
351.23203	71.2
359.25656	5.3
369.24249	91.7
387.25305	61.2
405.26199	4.3
417.98190	2.4
443.27972	31.6
461.29001	80.1
479.29883	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	479.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34001	0.4
55.05497	0.6
58.99850	1.1
59.20566	0.4
67.05494	0.7
69.32193	0.5
69.32597	3.2
77.00899	2.9
81.07034	0.7
83.08583	0.5
85.01394	0.5
91.05442	0.7
93.07026	0.5
95.01930	1.0
95.08588	0.5
105.06971	0.4
112.88824	0.5
115.02398	0.5
123.02866	0.4
125.04517	0.5
127.03848	0.5
129.03931	0.6
137.04456	0.7
137.05980	0.5
141.03983	2.7
143.05542	1.7
151.05989	0.6
151.09689	0.6
153.03955	1.3
155.05542	5.7
157.07077	0.8
159.05061	2.0
161.06685	0.9
165.03925	0.7
167.05501	0.7
169.07115	6.2
169.10767	1.0
171.05026	1.5
171.08769	0.4
173.06587	3.5
175.08208	0.7
177.06052	0.5
177.07597	0.5
179.09192	1.0
181.07072	0.8
183.05005	1.9
185.06531	1.5
187.04474	1.5
187.08138	5.7
191.07626	0.9
195.08656	8.3
197.08539	0.7
197.10231	7.5
201.06024	3.0
201.07655	2.1
201.09254	0.6
203.07541	0.6
203.09219	1.4
205.05569	2.0
205.09119	0.6
205.10797	0.8
207.08661	0.6
207.12357	1.9
211.54691	0.4
213.07649	0.6
213.09680	5.9
215.09143	1.1
215.11285	5.3
219.07130	2.1
219.08920	0.8
221.10211	8.0
223.11787	1.8
225.13344	11.2
227.11218	0.5
231.08675	0.5
231.10741	0.8
233.10161	6.6
237.09839	0.8
239.11282	8.4
243.14404	11.4
248.14703	0.5
251.11282	60.0
252.11432	0.7
257.12314	2.3
261.15393	0.6
269.12338	72.6
270.12524	0.7
274.12793	3.9
275.13144	0.5
287.13379	34.2
292.13879	4.5
310.15002	1.5
419.10361	0.4
435.25830	2.9
461.23810	10.8
479.24893	100.0
480.24982	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	478.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48983	1.9
55.05512	2.5
56.25238	1.9
57.03430	6.7
57.07081	100.0
59.05006	38.6
69.07066	3.7
71.08638	85.8
71.16517	4.3
79.64368	1.7
83.08614	3.5
85.10187	66.6
89.69006	1.8
97.06551	7.2
97.10179	2.5
99.11738	14.2
101.09647	3.1
103.65352	1.9
113.13284	3.9
115.07584	27.6
117.09145	13.1
155.17993	9.6
169.05115	1.8
173.11685	2.0
192.51454	1.8
213.22133	19.9
254.24776	2.4
271.26358	24.5
297.82013	2.2
478.40848	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32227	2.7
52.35363	2.4
55.37824	2.9
56.67125	2.5
56.97631	3.2
71.54900	3.4
92.45952	3.0
94.92995	13.4
114.89354	4.0
136.94035	62.4
148.94049	17.6
152.28250	2.8
166.95084	27.3
178.94998	5.2
196.96092	11.3
248.89694	8.0
256.90433	3.3
256.98181	13.5
258.72946	3.1
372.82495	3.4
381.07950	100.0
419.03549	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05494	0.9
67.05503	1.1
69.03412	1.2
69.07053	1.2
70.06585	0.9
70.29108	1.3
71.04984	0.7
75.93364	0.4
76.11452	0.3
79.05485	0.9
81.03419	0.5
81.07047	1.1
83.08614	0.5
84.08133	0.5
85.02908	1.3
85.06561	0.4
87.00832	0.4
91.05503	1.1
93.07034	0.9
95.04953	0.5
95.08608	1.3
98.97540	0.6
99.08103	1.2
105.07037	0.6
107.08589	1.1
109.02909	0.4
109.10145	0.9
111.08109	0.8
117.06961	0.5
119.08599	0.5
121.10139	1.5
123.08087	1.2
125.09617	0.5
127.03911	1.0
127.29411	0.4
131.08606	0.9
133.10133	1.2
135.08092	0.5
137.05978	0.8
137.13301	0.5
143.08606	0.5
145.09998	0.4
147.40411	0.4
149.13229	0.4
173.13248	0.7
177.16367	2.4
178.16699	0.9
185.04250	0.6
191.14360	0.4
195.17485	1.0
203.05217	0.8
213.12468	1.0
231.13574	4.4
239.51778	0.4
245.06284	2.6
259.13177	1.8
271.04324	0.5
272.20102	0.4
289.05304	3.6
290.18088	0.4
303.14471	0.4
317.10269	0.4
345.03296	0.4
375.17566	0.7
393.18839	9.6
416.24332	0.4
417.24374	2.0
435.19894	23.0
461.26715	0.8
464.98206	0.4
479.18893	100.0
480.18954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.51448	0.2
53.03935	0.8
55.05515	10.8
57.03441	7.0
57.07085	1.9
62.06078	0.4
65.03944	0.6
65.04253	0.3
67.05508	21.7
69.03433	0.3
69.07072	15.3
70.03638	1.2
71.04987	0.7
71.08624	0.8
79.05057	0.4
79.05497	6.2
79.05952	0.4
81.07059	23.8
81.10167	0.2
83.04974	0.5
83.08624	6.7
85.06546	0.5
85.10172	0.3
91.05491	4.4
93.07050	6.8
95.04947	0.4
95.08613	17.5
97.06544	1.6
97.10168	2.8
98.06068	0.4
98.21502	0.3
98.98504	0.5
99.08091	0.6
105.07049	3.4
107.08586	3.5
109.06530	0.5
109.09457	0.5
109.10159	6.5
111.08067	0.5
111.11710	0.7
119.08586	2.6
121.10151	2.5
123.11717	2.5
124.01578	0.5
125.09619	0.5
131.08543	0.3
133.10143	2.8
133.86404	0.3
135.11699	1.6
137.13290	0.7
147.11664	1.4
149.13278	0.6
151.14842	0.5
161.13275	1.1
163.14819	0.9
175.14769	0.5
198.05315	0.3
216.06299	0.5
219.23457	0.3
234.93973	0.3
245.22769	0.3
263.23700	0.8
306.27917	1.9
337.27371	100.0
338.27786	1.2
349.66293	0.3
362.18430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05517	8.3
56.96563	1.7
57.03433	3.9
57.07068	2.7
62.06092	30.2
67.05506	26.7
68.22221	0.9
69.03463	1.1
69.07067	13.8
79.05495	7.7
81.07059	26.3
83.04982	1.6
83.08625	6.4
83.63777	0.8
85.02892	1.0
91.05479	5.4
93.07046	8.2
95.08044	1.8
95.08605	17.1
97.02919	0.9
97.06551	1.4
97.10168	2.7
98.06062	1.2
98.98472	7.8
105.07061	4.1
107.08583	4.7
109.10163	5.9
110.88367	1.0
115.55978	0.8
119.08579	3.0
121.10153	4.7
123.11708	2.6
124.01576	1.8
133.10114	2.6
135.11674	2.4
137.13188	0.9
142.02617	1.3
147.11685	2.3
149.13266	1.7
155.01053	4.8
161.13257	2.1
163.14827	1.0
173.02171	2.0
173.13268	0.8
184.07346	1.2
216.06378	3.2
229.30240	1.1
245.22762	1.8
255.28700	1.0
263.23712	6.1
306.27911	20.1
317.17892	1.6
323.17493	1.0
332.15613	1.8
337.27380	100.0
338.27814	1.8
349.16046	1.6
349.66083	2.3
417.23712	2.1
460.28049	6.6
477.78168	1.5
478.29208	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	478.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24809	0.4
55.05519	4.0
57.07072	1.1
57.92507	0.4
67.05508	2.8
69.03429	2.7
69.07072	8.0
69.49210	2.4
69.49625	1.0
70.54085	0.4
71.05021	2.1
73.02921	0.5
77.90211	0.5
79.05495	3.9
81.03405	1.8
81.07062	12.6
83.04981	0.4
83.08617	5.9
85.02912	7.1
85.06563	1.0
87.00835	4.2
91.05470	2.5
93.07048	9.7
95.08613	27.2
97.02897	4.0
97.06506	0.8
97.10164	3.1
98.20744	0.7
99.04468	1.0
99.08091	2.4
105.01871	10.4
105.07059	2.5
107.08600	21.9
109.02876	1.8
109.06599	0.5
109.10162	5.3
111.09222	0.4
113.09644	2.6
119.08588	1.7
120.08860	0.5
121.10151	35.0
125.09616	0.8
127.03926	6.7
133.10165	1.0
135.11699	7.8
137.05916	0.4
137.13268	3.8
145.04959	5.1
147.06795	1.7
149.13228	2.6
159.02875	0.9
164.07089	0.7
175.14803	2.7
176.10692	0.6
176.15157	1.6
177.07855	1.2
177.16400	100.0
189.03911	0.5
195.10202	1.4
195.17461	9.0
204.10323	0.6
213.04091	0.6
218.52750	0.5
231.05028	3.3
249.06113	3.5
260.47794	0.5
284.09882	1.6
310.23160	0.5
352.40601	0.4
407.20938	0.7
416.24316	12.4
434.25824	0.5
460.27011	3.5
478.28259	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	478.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01862	5.2
55.05510	6.8
56.45641	2.1
57.03443	2.7
61.02909	2.1
67.05502	7.7
69.03432	11.5
69.07067	9.8
69.88172	6.3
69.88583	3.9
70.44534	1.6
71.04993	1.9
79.05501	6.4
80.78790	2.0
81.03419	11.8
81.07066	14.7
83.04994	2.4
83.08613	4.4
83.72336	1.8
85.02920	27.2
85.06576	2.3
87.00837	15.1
91.05481	5.0
92.05791	2.0
92.70815	2.0
93.07049	15.4
95.08605	33.0
97.02889	18.1
97.06497	2.9
99.04452	4.7
99.08087	10.0
105.01888	14.5
105.07044	6.0
107.08612	17.9
109.02872	11.5
109.10170	12.4
111.08096	2.8
113.09710	2.5
119.08591	4.7
120.08108	2.0
121.06501	2.2
121.10148	26.7
123.11721	8.8
127.03925	19.2
131.08627	2.1
133.10133	5.1
135.11722	6.8
145.04933	6.0
147.06839	3.0
148.07587	5.1
149.06038	2.0
149.13309	2.2
159.02942	3.3
159.11714	2.7
164.07132	2.7
173.13301	2.5
175.14810	6.1
176.07097	26.7
176.10696	33.2
177.07877	3.7
177.11447	4.2
177.16400	75.3
178.16750	2.3
187.50519	1.7
188.10619	2.8
190.08580	2.0
191.09387	3.7
193.15903	3.8
195.17484	32.0
201.16563	2.6
204.10184	17.5
205.11003	26.3
219.17484	2.5
231.05011	5.9
261.28864	2.1
272.16492	2.8
273.13596	2.4
290.17474	4.3
295.63165	2.1
310.04404	2.3
319.17841	8.0
378.22769	1.8
389.19604	3.5
398.23181	7.4
407.20804	4.1
416.24338	100.0
417.25214	2.0
425.21524	3.2
460.26956	58.7
478.13248	3.1
478.28043	19.0
486.51486	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15082	2.1
53.03960	2.7
54.74667	2.3
55.01871	4.4
55.05503	8.6
59.95609	2.5
61.02912	3.5
67.05499	10.1
69.03431	11.9
69.07071	11.4
70.60767	7.0
71.04992	4.8
73.02919	5.2
79.05495	9.7
81.03407	10.1
81.07062	21.9
83.08614	4.5
85.02916	24.8
87.00827	12.7
91.05481	8.0
93.07047	22.3
95.04975	4.1
95.08047	3.6
95.08614	45.1
97.02894	23.3
97.06502	2.5
97.10213	5.2
98.97586	2.6
99.04433	3.6
99.08098	9.5
105.01871	20.0
105.07032	7.2
107.08598	23.1
109.02863	8.6
109.10149	15.2
111.08060	3.4
113.09654	4.4
115.03921	3.6
119.08570	4.3
121.10155	37.2
123.11746	12.5
127.03922	16.3
131.08569	2.5
133.10120	4.5
135.11685	10.3
137.05959	2.8
137.13280	6.8
145.04961	10.2
147.11649	3.5
148.07558	5.6
149.13316	3.3
159.02867	3.9
159.11771	2.9
167.47093	2.9
175.06229	2.8
175.14859	3.7
176.07103	27.1
176.10704	32.3
177.11383	4.5
177.16391	100.0
179.17885	4.6
184.07326	2.6
188.10661	3.2
195.17485	40.3
204.10211	13.7
205.11003	46.5
231.05016	5.7
281.17386	4.2
285.18475	2.5
303.20016	2.3
319.17746	5.0
386.26871	3.0
389.19736	4.0
398.23358	12.4
407.20685	5.3
416.24347	91.4
460.26904	49.7
461.67365	2.4
478.16315	3.5
478.27731	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	478.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27028	1.1
55.01865	1.9
55.05513	7.8
57.03451	1.5
67.05491	4.6
69.03424	3.9
69.07069	12.2
70.06568	1.2
70.89217	2.3
71.05006	1.8
73.02948	1.5
79.05495	8.6
81.03430	3.7
81.07058	17.9
83.08628	7.3
85.02908	12.3
85.06535	2.4
87.00826	5.2
91.05487	5.9
93.07047	15.9
95.04983	1.7
95.08614	32.5
97.02878	4.3
97.10204	5.4
99.04411	2.0
99.08106	16.9
103.21629	1.0
105.01871	9.9
105.07024	3.4
106.02920	1.0
107.04965	6.2
107.07871	1.7
107.08601	29.2
108.04501	1.1
109.02848	3.2
109.10164	8.6
109.51624	1.4
113.09645	3.8
115.77966	1.2
117.07071	1.1
119.08581	2.5
121.10147	47.4
124.03954	21.5
125.09640	1.8
127.03927	7.2
131.08588	1.4
133.10146	3.9
135.11713	8.5
137.06015	2.2
137.13277	6.4
138.27046	1.0
145.04970	5.0
149.05981	1.3
149.13208	2.6
175.14842	3.0
177.00478	1.3
177.16394	100.0
178.08679	1.4
178.16608	1.1
186.49411	1.0
192.10182	2.5
193.15857	10.5
195.17487	8.4
206.22823	1.1
231.05038	4.2
249.06049	4.4
268.08356	1.6
284.09927	2.5
286.09302	6.8
301.06961	1.6
343.17847	1.4
372.21521	2.4
375.58981	1.1
416.24283	14.1
435.19852	1.5
460.27017	9.4
478.27631	4.1
479.19095	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	478.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.4
53.03926	0.4
56.05026	0.4
58.06602	27.3
60.95775	0.4
61.02916	1.0
69.03436	3.8
69.18182	2.3
69.18609	1.1
71.07366	1.2
72.08153	0.9
73.02911	0.9
81.03390	0.9
84.53996	0.3
85.02905	4.5
86.52374	0.3
87.04455	1.1
91.05464	0.9
95.04960	0.4
97.02895	2.3
98.20696	0.6
99.04447	0.6
109.02887	0.7
115.05468	4.6
119.04945	0.8
123.04430	21.4
124.03964	0.7
124.04783	0.8
127.03941	1.1
131.04942	0.4
133.06499	0.5
135.04443	1.0
137.06004	5.9
138.46968	0.3
143.04932	10.0
145.06464	0.7
149.05980	0.8
152.82240	0.3
161.04622	0.6
161.05981	12.5
163.07555	1.2
165.07816	0.4
175.07536	0.8
178.08644	1.5
179.09415	1.2
180.10216	1.0
191.83687	0.3
192.10175	2.2
193.10980	1.1
207.08076	1.0
209.09570	0.5
225.09178	0.9
235.07567	1.2
239.99557	0.4
253.08661	1.4
268.07999	0.4
271.09641	5.7
273.11234	1.5
285.11069	0.6
315.14560	0.5
316.15433	26.5
317.15659	0.4
478.20728	100.0
479.20966	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76398	1.1
52.85061	1.2
55.01868	9.8
55.05508	7.4
57.03413	1.3
57.07060	2.0
60.83008	1.1
67.05509	4.1
69.03435	5.0
69.07076	16.7
71.04999	2.1
71.07752	2.8
73.02923	1.6
79.05484	6.5
81.03407	5.2
81.07068	15.2
83.04970	1.9
83.08627	8.1
84.04537	1.2
85.02905	5.3
85.06535	2.6
87.00831	1.4
91.05486	5.1
93.07066	12.4
95.08614	33.4
97.02882	4.0
97.06548	2.1
97.10178	2.5
98.97620	2.9
99.04427	1.5
99.08102	79.4
105.01888	5.4
105.07026	3.2
107.08607	26.0
109.02884	4.3
109.10170	6.4
111.08087	48.8
113.09650	3.3
116.58791	1.1
118.98032	1.0
119.08628	1.5
121.10156	44.9
125.09690	2.2
127.03907	9.1
135.11717	9.0
137.05946	2.4
137.13329	6.1
145.04968	4.6
147.06812	3.7
149.13280	3.6
161.06009	1.7
161.77490	1.1
164.07062	2.7
176.07013	1.3
176.10704	1.8
177.07869	2.6
177.16402	100.0
195.17470	39.5
204.10126	2.5
211.12721	1.0
231.05080	4.4
240.13185	1.2
248.07567	1.4
249.06172	2.4
254.42334	1.3
273.13574	1.2
284.09766	4.6
372.21844	2.0
387.20700	1.7
398.23041	1.9
416.24387	41.5
434.25262	3.0
460.27008	12.5
477.67615	1.6
478.17657	1.5
478.28091	12.5
478.38937	1.4
479.18741	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	478.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.2
57.03439	0.3
61.02922	0.5
69.03439	1.5
70.06583	0.5
70.61406	0.7
73.02942	0.2
81.03406	0.8
85.02909	2.1
89.03923	0.3
91.05483	0.5
97.02886	0.7
105.07014	0.3
107.04892	0.3
109.02908	0.4
115.05474	2.0
117.03384	0.5
118.06577	0.5
119.04954	0.5
123.04420	0.8
127.03894	0.4
133.06470	0.3
136.05212	0.5
137.05989	0.8
143.04921	3.6
145.02850	1.6
147.04408	0.6
150.06776	0.4
151.07550	5.9
158.02715	0.3
161.05998	5.4
164.07077	100.0
165.07426	0.7
165.09071	0.6
174.06697	0.2
177.05479	3.4
178.08626	0.5
189.09160	0.2
193.06461	0.3
194.69261	0.2
221.09836	0.2
242.11795	0.3
267.10101	0.3
268.11014	0.3
299.12778	1.7
316.11990	0.4
316.15460	4.5
326.12399	8.8
362.41745	0.2
478.20749	30.5
479.21127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64645	0.4
61.02924	1.0
68.05026	0.4
69.03419	1.9
70.13403	0.8
70.13798	0.8
71.04986	0.4
73.02905	1.0
77.50922	0.4
81.03439	0.5
85.02910	2.6
86.06075	0.8
86.84711	0.5
87.04457	0.5
91.05480	0.8
95.04923	0.6
97.02882	1.0
109.02879	0.6
124.01913	0.5
127.03941	0.6
132.04463	1.3
137.05992	1.5
137.71594	0.4
143.04926	0.7
151.07542	0.6
153.06976	0.6
161.05949	0.4
163.06358	0.6
164.07065	1.2
165.07057	1.0
166.07788	2.0
178.07648	1.0
178.08678	2.4
179.08562	6.6
180.08054	0.6
183.08067	0.5
189.07002	1.6
191.08549	3.0
193.06482	0.5
194.07272	3.3
195.08038	1.1
200.64075	0.4
204.08134	1.0
205.08951	0.6
206.07594	0.9
206.09641	7.1
207.08063	8.9
208.08972	0.7
211.07510	1.4
215.09395	0.4
217.08873	1.3
218.07147	0.5
219.08127	4.6
221.09755	0.8
222.09122	1.0
223.07565	1.3
223.09996	1.5
224.08342	4.2
224.10770	1.5
225.09164	1.3
226.10046	4.5
228.10239	0.7
232.07613	0.6
233.08337	2.0
234.06923	0.5
234.09111	6.1
235.07764	0.8
235.09898	3.9
236.07091	1.3
236.08687	0.5
237.09155	1.4
238.10022	2.7
239.10736	5.7
240.10216	1.7
241.10979	1.4
242.11670	0.5
245.96176	0.4
250.08643	13.3
251.09235	15.5
252.10162	5.3
252.15919	1.5
253.11038	1.0
254.11800	0.6
256.13361	1.6
258.11353	0.8
266.11789	11.2
267.12515	3.5
268.13306	8.0
269.14093	1.1
284.12775	7.6
288.16107	0.7
298.14398	1.9
299.15219	1.6
316.15439	17.5
347.53116	0.4
379.19675	0.5
478.20758	100.0
479.21072	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.6
55.80181	3.2
56.68225	3.3
57.07066	9.1
58.83728	3.3
61.12374	3.3
67.05510	38.9
69.07066	26.4
71.04999	9.7
71.08633	7.9
71.56931	3.7
79.05492	22.7
81.07060	100.0
83.08614	8.7
90.49345	3.4
91.05486	22.8
91.20601	3.2
93.07050	80.9
95.04941	3.4
95.08611	89.3
97.06541	3.8
97.10175	13.9
105.07044	59.4
107.08598	61.5
109.06517	7.0
109.10165	66.5
111.08082	10.0
111.11739	8.2
113.09640	7.5
117.07032	6.4
119.08589	85.7
121.10136	52.2
121.10927	5.2
123.08144	5.0
123.11730	27.0
131.08569	20.0
131.32776	3.1
133.10130	38.4
135.11671	34.8
137.09584	6.2
137.13263	8.6
139.07582	7.8
143.08626	6.0
145.10126	29.3
145.92677	3.3
147.11707	32.5
149.13257	44.0
157.10126	11.9
159.11710	40.8
161.13268	32.8
163.14847	31.2
171.11693	7.9
173.13272	24.3
175.14848	18.6
177.12714	5.0
177.16345	10.0
185.13242	4.6
187.14787	17.5
188.59885	3.4
188.74910	3.4
189.16394	22.2
191.14247	4.4
191.17963	6.7
197.13278	4.1
199.14868	8.9
201.16394	15.2
203.17929	16.6
213.16393	13.9
215.17940	13.5
217.19492	29.2
225.16438	4.8
227.18001	8.8
229.19533	9.5
231.21152	13.4
241.19614	3.5
243.21086	7.4
255.21074	4.5
257.22586	12.0
259.24292	3.6
271.24429	5.0
280.82303	3.6
285.25641	5.5
299.27432	3.9
323.27441	5.1
325.29013	3.4
327.30499	10.1
344.01883	3.7
419.36670	9.6
445.36761	6.8
459.39832	14.9
477.40778	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	13.7
55.05513	78.9
56.96541	9.7
57.03455	11.1
57.08334	5.3
58.73444	5.8
61.02912	11.2
67.05508	100.0
69.03429	11.6
69.07072	34.5
70.98308	9.1
79.05499	76.5
81.03414	20.0
81.07057	96.0
83.04964	7.0
83.08620	50.1
85.02907	11.4
89.06023	9.4
91.03942	7.6
91.05476	77.1
93.07051	45.0
95.04953	18.9
95.08607	43.3
97.02885	6.2
97.06516	11.0
97.10173	81.1
103.05473	11.0
105.07046	53.9
107.04947	12.8
107.08605	49.7
109.06516	12.8
109.10165	18.0
110.91704	5.1
111.08073	6.9
115.05471	12.5
117.07021	50.8
119.08582	28.6
121.06527	13.5
121.10141	16.5
121.78718	5.1
123.04417	5.9
123.08110	9.9
123.11742	6.9
125.09636	59.4
128.06218	9.8
129.06999	30.5
131.08580	43.5
133.06488	15.8
133.10120	20.4
135.08041	10.2
135.11710	13.5
137.05994	12.6
137.09492	6.2
137.13281	6.2
141.06952	10.2
143.08546	18.1
143.31166	5.8
145.06511	22.6
145.10126	14.3
147.08066	7.3
147.11679	11.7
149.09619	8.4
149.56326	5.9
153.09062	8.8
155.08530	12.2
157.06528	8.5
157.10190	11.4
159.11670	12.5
161.05948	5.5
161.13329	5.7
163.11192	6.0
165.07220	5.8
169.10118	12.2
171.08034	6.1
171.11618	11.3
173.13225	6.2
175.11252	5.7
181.10109	7.3
183.11746	6.3
185.13239	6.5
187.14871	10.8
189.11232	33.2
189.12694	7.9
195.11618	6.7
197.13242	19.1
215.14322	45.4
227.12732	30.8
233.15335	19.7
269.10580	6.1
301.06982	10.2
311.60538	5.1
336.26038	6.5
339.23398	9.2
349.16211	7.4
349.21603	21.3
367.22586	45.6
385.23788	56.7
398.24826	5.6
403.24792	24.7
441.26166	17.9
443.12042	7.0
459.22366	19.5
459.27887	90.5
477.29044	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	46.0
56.91357	4.4
57.07079	41.5
59.05003	9.6
67.05511	29.5
69.07072	59.3
71.05008	8.6
71.08630	33.3
77.83717	4.6
79.05504	25.0
81.07065	100.0
83.04979	10.3
83.08614	36.7
85.10194	21.7
87.04502	5.4
89.03397	3.8
89.06033	20.8
91.05516	6.5
93.07047	27.7
95.08611	79.2
97.10174	22.3
99.04483	15.7
105.07057	13.5
107.08593	25.3
109.06503	21.9
109.10165	50.4
111.04459	6.9
111.08051	6.0
111.11745	11.4
113.05951	5.2
119.08604	14.0
121.10139	29.0
123.08082	4.1
123.11733	28.5
125.05989	21.0
125.13321	5.7
127.03932	42.4
131.08638	9.2
133.08667	10.5
133.10170	12.4
135.11688	21.8
137.06000	98.3
137.13316	12.1
141.05505	7.5
145.10126	4.9
147.11777	11.9
149.09619	6.3
149.13300	10.6
151.07591	8.8
151.14888	5.4
153.05527	4.9
155.07111	9.0
157.10156	5.8
159.11726	9.4
161.09647	5.8
161.13199	5.1
163.14873	9.4
165.09123	11.1
165.16423	5.7
167.07050	10.1
171.11719	5.0
173.09648	5.5
175.11253	8.3
177.09138	10.4
177.11247	8.3
177.16399	7.8
179.07053	9.5
179.18013	5.1
183.06531	36.3
185.09680	8.8
187.11130	5.6
188.08406	4.9
189.09200	5.6
191.18054	5.0
195.10025	4.8
200.13985	3.9
201.12877	4.4
203.10703	35.8
204.66978	3.9
205.12280	5.2
207.10223	6.7
217.12296	8.4
219.13777	6.0
235.09665	22.4
275.27530	16.6
315.30524	9.5
330.42920	5.0
333.31610	6.1
347.22287	5.0
361.23373	6.6
365.59354	4.3
381.31595	6.8
399.32593	20.9
403.28476	4.3
417.33713	15.2
430.03448	4.4
441.33575	9.4
459.34723	45.0
477.31522	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	477.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01861	3.4
55.05510	13.6
55.59570	0.9
56.96553	1.2
57.03432	2.3
57.07064	1.8
59.04993	2.8
61.02915	1.8
63.86608	1.1
65.54156	1.0
67.05513	9.9
69.03432	13.2
69.07072	9.8
69.36576	8.5
70.06583	3.8
71.04981	4.2
73.02917	2.8
79.05489	2.9
81.03430	8.4
81.07066	14.2
82.07369	1.4
83.04988	17.5
83.08625	11.5
84.08131	1.1
85.02910	15.4
85.06551	7.5
87.00846	6.9
87.04487	1.5
89.05985	1.1
89.61219	1.1
91.05499	6.7
92.05817	1.7
93.07045	8.7
94.07396	1.4
95.04953	3.7
95.08614	11.7
96.08937	1.3
97.02892	6.1
97.06519	2.6
97.10164	3.5
98.97579	3.5
99.04454	3.7
99.08093	4.8
101.06013	2.4
105.01853	3.6
105.07035	6.1
106.07329	1.4
106.38008	1.0
107.08601	12.6
108.08931	1.4
109.02904	5.6
109.06525	1.6
109.10159	33.4
111.08086	3.2
117.01868	0.9
119.08588	14.7
120.08903	5.5
120.30895	1.2
121.10133	6.2
123.11705	16.5
125.09648	6.9
127.03910	9.0
127.07526	1.1
127.11213	13.0
131.08548	1.2
133.10141	12.4
134.10480	8.5
135.11714	9.5
136.07591	1.6
137.05974	2.6
137.09631	2.1
145.04988	2.6
147.11674	2.6
148.11961	1.1
149.09673	1.2
149.13255	5.1
151.11165	4.1
151.14735	1.1
159.02954	2.3
167.14307	12.9
169.12234	25.7
175.13324	1.6
175.14839	32.5
176.15172	42.4
177.05554	1.4
177.16389	4.4
185.15387	10.0
186.85912	1.0
193.15892	11.7
194.16188	2.8
209.15396	1.2
211.16945	68.4
229.17999	100.0
286.04727	1.2
301.07080	3.3
315.08484	2.0
345.61874	1.2
385.68829	1.0
416.24380	3.7
459.22247	1.4
476.68069	2.9
477.18329	3.7
477.26135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01854	1.7
55.05269	0.8
55.05515	10.6
55.39347	0.5
56.88750	0.5
56.96560	0.5
57.03428	1.6
57.07069	2.2
59.05004	2.6
61.02923	1.3
67.05238	0.5
67.05510	7.0
68.99790	0.6
69.03433	10.4
69.03787	0.5
69.07072	7.8
70.06580	1.6
70.56573	1.5
71.05015	3.8
73.02916	1.8
76.06850	0.5
79.05490	2.1
80.74264	0.5
81.03426	7.5
81.07069	6.8
83.04987	16.7
83.08633	10.0
84.08146	1.1
85.02912	12.8
85.06081	0.6
85.06548	7.5
86.09643	0.6
87.00835	5.2
87.04459	1.4
89.06048	0.7
91.03938	0.6
91.05465	2.5
93.07056	4.4
95.04967	2.2
95.08614	5.3
97.02906	4.3
97.06538	1.7
97.10179	2.5
98.97598	0.9
99.04436	3.1
99.08091	3.4
101.06023	2.1
103.04009	0.6
105.01870	2.2
105.07017	2.1
107.04911	0.7
107.08607	9.7
109.02896	5.6
109.06525	0.9
109.10167	30.6
111.08086	1.5
111.11726	1.0
113.06014	2.3
119.08591	2.3
121.10155	4.2
123.08096	1.3
123.11716	13.3
125.09642	6.5
127.03928	6.2
127.07579	1.1
127.11198	13.5
133.10153	3.3
134.10428	0.6
135.11708	6.6
137.05986	1.5
137.09596	1.7
145.04953	1.8
145.06387	0.5
147.11679	1.0
149.13263	5.7
151.11166	3.6
151.14865	1.2
153.12732	1.6
155.10710	0.7
159.02892	2.3
161.09628	0.5
163.04071	0.5
164.07010	0.8
167.14330	13.5
169.12256	24.5
175.14880	3.9
176.15019	0.5
177.05513	0.6
177.07813	0.8
185.15384	12.6
193.15895	9.0
209.15382	1.3
211.16946	59.6
220.77823	0.5
229.18011	100.0
230.18253	1.2
231.04974	1.1
253.18056	0.6
286.04630	0.7
301.07034	1.2
379.02423	0.6
416.24637	2.9
459.22110	1.7
460.27216	1.0
477.17993	0.5
477.23322	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	477.1032
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
70.06564	0.2
70.96019	0.3
81.03421	0.2
85.02900	0.2
91.05479	0.2
117.89906	0.1
119.04885	0.2
149.05998	0.2
153.01865	0.4
229.05028	0.3
258.05246	14.3
273.07996	0.1
284.06198	0.1
286.04724	34.8
287.05200	0.4
301.07062	100.0
302.07431	1.3
477.10352	5.3
477.26511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1372
Annotation	5,7,3'-Trihydroxy-3,4'-dimethoxyflavone 8-C-rhamnopyranoside
Peak:m/z	Relative Intensity
51.79736	0.6
51.96317	0.6
53.03934	1.3
55.01867	1.2
55.05511	3.5
57.03428	1.3
59.05011	0.7
61.02926	1.0
67.05488	2.7
69.03433	4.2
69.07068	3.1
70.06582	2.1
71.04990	1.1
71.36613	0.6
71.55964	0.5
71.56378	0.8
73.02924	0.9
79.05483	1.6
81.03418	3.1
81.07068	4.1
83.04993	4.3
83.08614	2.9
84.04478	0.8
84.08127	1.2
85.02914	4.7
85.06536	1.6
86.98048	0.6
87.00814	2.2
91.03941	1.0
91.05467	1.9
93.07033	2.4
95.04974	1.2
95.08602	3.3
97.02891	3.0
97.06528	1.5
98.97561	0.9
99.04439	1.4
99.08080	1.2
105.01846	1.7
105.03389	2.2
105.07013	2.5
107.08603	3.3
109.02887	3.4
109.10162	5.5
111.08099	0.6
119.08571	2.6
120.08901	1.1
121.06486	0.6
121.10125	2.0
123.08067	0.8
123.11676	2.5
125.09611	1.6
127.03914	4.6
127.11178	1.7
133.10078	3.2
134.10493	1.8
135.11705	2.1
137.05959	1.4
137.09602	1.3
145.10226	0.7
147.11674	0.7
149.13260	1.4
151.11177	1.4
159.02866	0.9
165.09091	0.8
167.14362	2.5
169.12231	3.6
171.39767	0.8
175.14828	2.8
176.15132	2.4
185.15381	1.5
191.14343	0.7
193.15857	3.5
194.16260	0.7
211.07574	2.1
211.16931	12.6
223.04507	1.2
229.08466	5.6
229.18004	15.5
231.04988	0.6
269.10040	2.6
271.04321	2.6
287.03897	0.6
301.07111	2.1
311.10977	6.9
355.09998	17.8
391.13699	4.3
416.24274	0.8
433.14716	31.8
477.13681	100.0
478.14450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
56.96568	29.9
57.03424	1.2
61.02930	1.2
65.47919	0.6
68.05047	0.7
69.03430	1.3
69.84413	2.8
70.06606	3.9
71.95266	0.6
72.08154	1.2
74.06091	1.5
75.82996	0.6
81.03394	1.0
84.96042	15.0
85.02917	4.3
86.06085	4.7
86.09696	3.1
91.05498	0.6
97.02917	1.3
97.85061	0.6
98.97592	57.9
101.07154	1.0
102.97068	1.5
104.88720	0.5
106.06551	0.6
109.02885	0.7
110.97573	16.5
112.99162	4.1
116.07117	8.2
116.98635	18.3
123.04467	1.0
124.99149	3.3
126.97073	1.1
127.03944	1.0
128.98610	13.1
131.00198	2.7
132.99713	0.9
134.99619	3.6
137.05997	1.3
140.00224	0.8
140.98593	3.8
143.00171	13.1
144.98083	2.8
146.99690	3.8
149.01288	1.0
151.00653	6.6
152.98621	1.1
153.72508	0.6
155.00175	1.1
158.99661	6.8
160.99190	1.2
161.01242	13.1
162.99196	1.3
164.07076	0.8
169.01732	8.6
169.15558	0.6
170.99625	5.7
174.99155	1.1
176.98494	4.3
177.00725	7.7
178.08646	1.0
179.00206	4.9
179.02254	3.4
181.01738	2.4
182.99660	2.1
185.12830	0.7
187.02786	5.0
187.14467	4.2
188.14787	1.2
189.00742	4.3
190.99998	0.6
193.01762	3.1
194.99683	23.9
195.01436	0.8
195.03267	3.2
197.01237	4.8
201.00688	9.7
205.06415	0.7
206.06880	0.7
207.01761	0.9
209.01167	2.0
211.02824	2.2
213.00728	46.4
213.04330	2.5
215.13913	2.5
218.01448	0.7
219.01762	41.9
223.02805	0.8
231.01740	6.2
235.02776	0.8
236.02318	1.2
237.00674	9.2
237.02702	36.4
238.09343	0.6
239.02065	0.7
242.03407	1.2
245.15018	2.6
249.00742	1.8
249.04312	1.2
250.08727	0.6
253.12309	0.8
255.01762	13.4
255.03854	0.8
255.05855	0.8
259.02890	1.6
261.00732	3.4
261.04239	0.6
263.02411	4.0
265.08609	2.0
266.09125	2.1
267.01773	1.4
277.03738	1.4
279.01794	9.4
279.04941	0.9
281.03354	6.1
283.09689	2.2
284.10025	2.3
291.01834	1.9
297.02817	4.5
298.10950	1.0
299.04471	0.9
299.11227	0.9
300.11954	1.0
303.01828	1.2
309.03229	2.9
314.13858	1.1
315.14197	2.1
316.15799	0.7
321.02780	10.8
321.06250	0.8
330.20224	0.8
331.95963	0.7
339.03918	100.0
339.07642	18.3
340.04227	0.8
357.04956	39.1
357.08752	11.7
362.05594	1.6
377.19406	1.9
380.06522	3.4
460.12347	2.7
477.10678	9.0
477.19556	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	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
51.97904	0.2
53.03941	0.9
55.01881	0.4
55.05517	6.4
57.03441	6.6
57.07070	0.7
62.06091	0.4
65.03947	0.9
67.05508	26.8
69.03432	0.3
69.07073	7.2
70.62678	0.3
70.63021	0.4
71.04979	0.5
71.58033	0.2
75.44745	0.2
79.05498	14.2
81.07061	23.0
83.04973	0.6
83.08623	2.9
83.73961	0.2
85.06548	0.6
91.05485	6.9
93.07048	15.0
95.04977	0.9
95.08612	19.2
97.06537	1.1
97.10178	0.8
98.06088	0.3
98.98474	0.5
99.08106	0.3
105.04529	0.4
105.07037	4.2
107.08601	7.3
109.06537	0.7
109.10160	6.9
110.52067	0.2
111.08127	0.5
114.14700	0.2
115.59288	0.2
117.06998	1.1
119.08587	2.9
121.10145	5.5
123.04462	0.2
123.08092	0.6
123.11736	1.8
124.01601	0.5
125.09596	0.3
131.08543	1.9
133.10143	1.9
135.11711	2.7
137.09619	0.3
137.13309	0.4
145.10120	1.5
147.11688	1.2
149.09584	0.3
149.13249	1.1
159.11745	0.7
161.13283	0.8
163.11165	0.2
163.14806	0.3
173.13287	0.6
175.14752	0.4
175.36151	0.2
187.14871	0.3
198.05280	0.4
216.06323	0.9
237.78441	0.2
261.22159	0.7
304.26352	1.7
312.76840	0.2
335.25806	100.0
336.26202	0.8
470.71555	0.2
481.92667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.6
55.05505	7.0
55.11613	1.0
57.03424	4.2
62.05788	2.0
62.06089	29.2
65.03928	1.3
67.05177	1.8
67.05511	24.4
67.91733	1.1
69.07063	8.4
69.87643	5.1
72.88004	1.0
74.04160	1.2
79.05491	15.2
81.06600	1.3
81.07056	21.1
82.56007	1.1
83.04986	1.3
83.08620	4.2
85.06513	1.0
89.80230	1.1
90.74400	0.9
91.05487	8.0
93.07040	19.1
95.04934	1.1
95.08611	18.3
97.06505	1.1
97.10124	1.7
98.06030	1.8
98.98470	7.8
105.07040	8.1
107.08607	9.0
109.10158	7.1
117.06994	1.8
119.08586	7.2
121.10133	7.8
123.11710	2.3
124.01613	2.5
131.08543	2.5
133.10117	4.0
135.11736	5.2
145.10115	3.0
147.11691	2.4
149.13257	2.7
155.01042	3.7
159.11673	1.9
161.13246	2.8
173.02077	2.8
173.13274	2.1
194.11768	2.9
194.66481	1.0
198.05296	2.2
216.06326	4.1
243.21042	2.7
261.22192	5.8
304.26346	17.0
317.24808	1.6
335.25803	100.0
336.26495	1.2
458.26639	6.6
458.39948	1.7
476.20432	1.5
476.27618	5.5
476.40771	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91285	1.0
53.03948	1.3
55.05520	6.0
57.03443	5.7
57.07080	1.4
65.03949	1.5
67.05510	28.8
69.07076	6.9
71.08629	1.2
73.05679	0.8
79.05503	15.4
81.07064	26.0
81.64674	0.8
83.08622	2.7
85.02937	1.3
89.06026	1.0
91.05479	9.9
93.07053	15.5
95.04955	1.9
95.08614	16.4
97.02914	1.0
97.06534	1.6
97.10166	1.9
105.07074	4.4
107.08604	7.8
109.06541	1.0
109.10169	6.2
117.07014	1.8
119.08598	3.1
120.28973	0.8
120.75397	0.7
121.10146	4.6
123.11721	2.1
129.05557	0.8
130.13719	0.8
131.08592	4.1
133.10149	3.2
135.11732	4.7
137.06010	1.9
145.10156	2.0
147.11699	1.9
149.13261	2.5
159.11710	1.7
161.13254	1.7
161.18140	0.8
163.14835	1.1
173.13307	1.4
187.14781	1.8
243.21194	1.7
261.22235	2.0
304.26376	2.6
317.24896	1.5
326.13864	1.3
335.25824	100.0
476.27722	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	476.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
55.05517	2.8
56.05021	0.6
57.03436	5.1
58.06599	1.8
59.04999	0.8
61.02926	0.9
61.35711	0.6
67.01881	0.6
68.05029	27.5
69.03440	3.6
69.40789	1.8
69.41222	2.6
70.06585	3.6
71.01359	0.9
72.08155	21.3
73.02933	3.6
77.55426	0.5
84.04525	0.9
84.08160	0.9
85.02908	6.1
86.06068	100.0
86.09701	8.1
87.04466	0.7
89.06028	1.9
94.33665	0.6
96.04497	2.1
97.02876	1.7
100.07613	3.4
103.03982	1.4
114.05534	1.3
114.09158	2.2
115.03947	2.2
116.07081	4.5
118.13551	0.6
121.02881	0.7
123.04443	0.9
128.07080	11.9
132.10211	2.2
133.04970	2.0
133.08598	0.8
137.05960	1.3
142.04962	0.6
147.04465	0.9
164.07022	3.9
178.08640	2.2
181.13358	3.1
185.12857	13.4
187.14459	2.6
199.14421	4.9
213.12413	4.0
215.13925	1.4
218.10228	1.3
223.29472	0.6
227.13916	2.3
239.14873	0.8
245.14973	66.2
265.08908	0.9
287.16068	5.0
295.05725	0.9
298.10889	1.4
299.11569	1.2
308.06436	1.7
314.13815	5.5
317.17035	1.6
326.07504	1.3
337.07053	1.4
338.07367	3.3
341.17029	1.4
344.21799	16.6
345.16577	9.5
356.08563	1.9
377.19199	55.8
386.22943	4.2
414.94690	0.7
422.09647	0.8
440.10776	1.4
458.11499	2.2
474.11780	0.6
476.12503	1.0
476.19174	6.3
476.26071	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	476.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.5
58.06596	2.2
59.05015	5.0
61.02924	1.1
69.03420	2.1
69.24686	1.0
69.25093	4.8
70.06590	1.3
72.08161	1.0
73.02896	0.6
73.90227	0.6
76.93204	0.5
81.03430	0.8
85.02920	4.5
86.09742	0.8
87.04472	1.8
89.06040	74.1
90.06355	0.7
91.05473	1.4
97.02889	1.4
103.07586	1.7
107.07084	0.9
109.02872	0.8
119.29121	0.6
121.02907	0.6
123.04459	0.8
124.03965	0.9
133.08620	33.2
137.05988	3.2
145.04947	1.4
147.04416	2.2
147.10094	0.8
151.07568	3.7
151.09631	3.4
161.05911	0.6
162.05508	1.6
162.25671	0.7
163.06322	1.5
164.07085	100.0
177.11224	5.9
178.08635	15.3
178.10106	1.1
191.12819	1.4
192.10278	1.4
192.13948	0.6
195.12231	3.2
201.25133	0.6
202.38243	0.6
221.13800	1.1
239.14919	48.2
279.18048	0.8
283.09604	0.7
284.06573	1.2
295.05933	0.8
297.19104	69.5
298.10992	0.7
299.11340	1.0
308.06451	1.0
313.07086	2.6
314.07529	6.4
314.10437	1.2
314.13855	20.1
326.07462	0.7
326.12347	3.9
338.07333	2.7
341.18509	0.7
356.08411	1.3
380.08337	0.8
440.10580	0.7
458.11475	1.6
476.19150	57.0
477.19446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.3
57.07053	1.4
59.04967	0.9
67.05502	4.3
69.03412	3.0
69.07063	5.3
70.06597	2.5
71.04996	1.5
79.05488	8.5
81.03398	3.7
81.07057	9.3
83.04963	0.9
83.08607	1.7
85.02895	3.3
91.05479	9.5
93.07043	10.7
95.08607	17.2
97.02861	2.7
99.08051	4.7
105.01838	1.6
105.07033	32.6
107.08598	17.1
109.02882	1.4
109.10148	4.4
113.09621	2.0
119.04919	1.0
119.08589	46.3
121.02866	1.0
121.10143	4.0
121.89181	0.8
123.07995	1.0
123.11677	3.1
127.03891	3.9
131.08597	1.1
133.10138	54.1
135.11696	27.7
137.05957	1.0
137.09586	3.9
145.04962	3.4
145.10141	1.5
147.11693	4.4
149.13258	2.3
160.12445	1.3
175.03883	1.5
175.14832	100.0
184.44386	0.8
191.07074	4.3
192.10156	1.0
193.15904	17.1
207.06483	4.0
231.05000	1.5
265.80426	0.9
271.05881	1.4
284.06348	1.9
288.03720	1.0
301.07059	2.6
367.22379	1.0
476.10074	1.7
476.19156	1.2
476.26266	1.8
477.08264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.6
55.05511	2.6
56.05038	1.2
56.96567	0.6
57.03188	0.7
57.03444	6.9
58.06604	4.5
61.02915	1.7
62.98876	0.5
68.05035	25.6
69.03444	3.4
69.07064	1.0
70.06598	9.3
71.01355	1.1
71.04999	0.7
71.56559	0.9
72.08163	18.8
73.02925	3.7
74.06079	2.4
75.04496	1.0
75.96355	0.6
79.05496	0.6
81.03421	1.6
83.04961	0.6
84.04518	1.1
84.08146	1.4
85.02909	8.4
86.06075	100.0
86.09714	13.4
87.04487	1.2
87.42153	0.5
88.03986	0.9
89.06045	0.8
91.05489	1.4
95.04961	0.9
96.04501	1.6
97.02914	3.0
98.97610	0.9
100.07624	2.9
100.11272	1.6
101.07148	1.6
101.73164	0.7
103.03978	1.4
105.07037	2.4
110.06025	1.3
113.07126	0.7
114.05544	2.0
114.09179	1.9
115.03960	2.0
115.05470	1.3
116.07101	17.8
121.02873	1.0
122.03185	0.7
123.04482	3.1
127.03918	1.3
128.07095	9.8
130.06552	0.8
132.10243	2.8
133.04990	2.1
133.06526	3.6
133.08652	0.9
137.05984	3.4
138.06371	0.9
138.09315	0.8
142.12300	1.3
143.11806	0.9
149.00548	3.5
151.07570	1.7
153.13879	1.2
161.05994	7.2
163.07582	0.7
164.07082	10.2
165.00055	1.0
178.08704	2.2
181.13429	2.1
185.12878	15.5
185.14473	0.6
187.14413	9.2
191.03423	0.7
192.10278	0.9
192.99612	2.5
193.08635	6.9
194.00400	1.7
199.14398	5.4
205.06633	1.2
206.11789	1.2
207.09149	1.8
208.09666	2.3
209.02710	8.0
213.12312	3.8
215.13939	5.3
218.10237	1.1
220.09828	0.8
221.10741	2.3
222.11115	3.4
223.12431	0.6
224.12634	1.8
227.13972	2.6
227.17519	1.5
229.15567	1.8
233.06071	1.2
237.09209	2.0
239.11902	1.6
240.12219	2.3
245.14987	66.3
246.15475	0.7
249.15625	2.7
250.14075	1.0
250.16228	2.6
257.15063	1.4
265.08615	5.3
266.81473	0.6
267.11295	0.8
268.11771	1.3
274.09262	0.6
279.17172	0.6
283.09689	4.9
287.16013	5.2
294.05298	0.7
295.05807	1.9
296.06128	0.8
297.18594	1.7
298.10776	4.3
299.11414	2.7
308.06409	2.0
309.07263	0.8
310.07834	1.1
314.07104	3.2
314.10632	0.8
314.13831	13.1
317.17181	1.8
326.07367	1.0
330.20239	1.2
337.07141	1.1
338.07428	3.4
341.17200	2.0
344.21848	17.0
345.16632	8.2
356.08575	3.1
377.19211	57.4
380.08615	1.6
386.22830	3.1
392.08722	0.8
394.15192	1.0
422.09732	1.6
426.17636	0.9
440.10611	1.6
444.18460	5.6
458.11844	2.6
476.12543	1.5
476.19327	21.5
476.26178	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	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.8
56.64304	1.6
57.07068	3.1
62.06843	1.7
67.05520	2.1
67.51955	1.8
69.03426	1.9
69.07072	7.2
69.52868	12.6
71.04984	2.8
73.96984	1.8
79.05488	9.6
81.03410	3.8
81.07053	11.7
83.04947	2.9
83.08596	1.9
85.02924	3.0
86.52457	1.5
87.00794	1.9
91.05493	9.6
93.07050	14.0
95.08042	2.5
95.08611	25.1
97.02867	2.5
99.08089	7.2
105.01871	1.5
105.07040	54.0
107.08600	26.3
109.02878	2.3
109.10155	3.4
111.51573	1.7
113.09611	3.4
119.08594	53.2
121.10153	3.6
123.11694	5.9
127.03899	4.0
133.10138	65.0
135.11700	37.8
137.09607	4.9
145.10219	1.9
147.11685	4.7
149.13319	1.9
151.07541	1.9
154.10948	1.9
172.44504	1.5
173.11565	1.6
175.14833	100.0
193.15898	18.9
198.15257	1.7
245.88609	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01868	0.9
55.05501	1.9
61.02917	0.5
67.05488	0.9
69.03439	2.9
69.06793	0.4
69.07071	4.5
71.04997	0.5
73.02888	0.7
76.52291	0.4
79.05478	0.8
79.63906	0.4
81.03417	3.0
81.07043	1.8
82.63638	0.4
83.08607	1.1
85.02428	0.5
85.02911	7.1
87.00832	3.0
91.05498	2.0
93.07028	1.4
95.08624	3.1
97.02885	2.9
99.04452	1.2
105.01866	3.3
105.07033	6.2
107.08600	2.6
109.02880	2.4
109.10159	1.5
117.01870	0.4
117.07005	0.9
119.08583	26.1
121.10157	2.2
121.28242	0.4
126.00105	0.4
127.03927	5.6
130.54509	0.4
131.08597	0.9
133.10135	22.3
133.94939	0.4
135.11658	2.1
137.09592	0.5
145.04970	2.8
145.10124	1.4
147.11691	4.3
159.02872	1.6
160.12451	0.9
173.13298	1.3
175.03839	0.4
175.14828	100.0
176.15160	1.0
177.16383	1.8
189.04115	0.4
193.15860	4.5
195.72517	0.4
207.06491	1.2
231.05000	1.2
340.91885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1918
Annotation	Dauricoside
Peak:m/z	Relative Intensity
56.96545	0.4
57.84503	0.3
58.06602	10.8
69.03412	1.0
69.86608	1.5
73.02877	0.4
77.03910	0.3
81.03381	0.4
84.95983	0.4
85.02911	1.9
85.03977	0.3
86.06039	0.4
91.05467	0.7
94.79990	0.3
95.65098	0.4
97.02882	1.0
105.07065	0.8
123.04433	18.3
131.04904	0.7
136.05202	0.5
137.05940	1.5
138.05513	0.6
143.04915	0.4
146.03607	0.5
146.33653	0.4
150.06720	0.5
151.06448	0.6
151.07552	10.0
152.07088	3.2
161.06003	0.5
162.05489	0.8
163.06271	0.6
164.07062	2.8
165.09102	1.4
176.07103	1.9
177.07770	0.8
178.08600	0.5
190.08534	0.7
191.09384	3.3
192.10197	3.3
223.07428	0.5
236.10635	0.5
237.02805	0.4
245.14943	0.4
251.07095	0.8
256.09717	0.5
268.13281	1.2
269.08130	0.6
270.07550	0.5
280.09949	0.6
282.11243	0.6
284.09186	1.3
285.09979	1.8
286.10651	0.4
296.12885	1.7
298.10745	48.8
299.11514	32.2
314.13861	91.9
315.14236	1.0
377.19080	0.4
476.19174	100.0
477.19775	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
53.59407	0.5
53.83513	0.6
55.05507	2.5
57.07070	2.2
59.04991	0.8
67.05508	5.9
69.03439	1.4
69.07071	4.9
70.06582	1.4
70.94930	0.7
70.95245	0.7
71.04979	1.1
79.05489	0.9
81.03410	1.0
81.07068	5.1
83.08614	1.0
85.02895	2.4
85.06558	1.3
87.00853	0.9
91.05479	5.0
93.07059	3.0
95.04964	0.8
95.08607	15.5
97.02895	1.1
97.06551	0.7
99.04441	0.8
103.03939	1.4
103.05458	0.8
105.07034	10.2
106.07401	0.6
107.08586	4.9
109.06500	1.1
109.10157	21.2
117.06979	1.0
119.04938	1.5
119.08582	34.9
121.02856	0.9
121.10149	3.1
123.08089	1.8
127.03911	2.6
131.08508	1.0
133.10132	45.0
134.10532	0.7
135.11688	8.1
137.09608	8.0
145.04953	1.6
145.10124	2.4
147.11691	8.4
149.13272	3.3
151.07510	0.8
151.14854	3.5
159.11736	0.8
160.12479	1.4
163.07449	0.8
173.13258	0.9
175.03986	1.5
175.14827	100.0
176.15160	0.9
191.06993	3.9
191.14337	1.4
192.14679	0.7
193.15886	34.0
207.06508	2.2
209.15355	1.9
210.15730	2.2
211.16907	0.7
227.16385	1.1
228.16748	1.4
255.09453	0.6
258.05228	1.8
286.04694	5.7
295.05862	0.8
301.07077	16.6
308.06332	0.8
320.06421	0.8
321.07367	1.3
325.07068	0.9
326.07297	1.1
338.07294	0.9
363.08334	0.9
374.00851	0.6
392.08533	3.7
411.15195	0.8
440.10321	1.0
476.10413	3.7
476.20151	1.5
491.20181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1917
Annotation	Fumiquinazoline E
Peak:m/z	Relative Intensity
51.20446	0.5
52.77775	0.5
53.03935	1.0
55.01853	0.5
55.06461	0.5
57.03414	1.5
57.03669	0.4
60.04507	0.4
60.13658	0.5
61.02905	1.8
66.35889	0.4
69.03432	6.1
69.97179	2.2
70.06582	1.4
71.04971	1.0
73.02904	0.6
75.16077	0.5
78.41193	0.5
81.03385	2.2
85.02448	0.5
85.02912	7.9
87.04447	1.5
91.03999	0.6
91.05454	2.0
97.02886	4.6
99.04423	0.6
104.66155	0.5
109.02856	1.6
121.02880	1.4
125.29155	0.5
127.03887	1.5
128.04947	3.6
132.38899	0.5
135.04398	0.8
143.04837	0.6
145.02798	0.7
156.04457	5.7
164.07094	2.9
165.06978	2.9
172.03923	0.9
178.07802	0.9
179.07204	0.7
179.08556	5.9
180.08029	1.1
186.05519	7.0
189.01903	0.6
189.07007	6.4
190.02321	0.9
191.03423	0.5
191.07230	5.0
191.08504	0.6
193.06554	4.0
193.08160	0.7
195.08049	1.0
204.08113	1.5
205.08896	3.1
206.09656	20.2
207.02844	0.7
207.06546	0.8
207.08102	7.8
208.07579	1.2
208.11221	0.9
209.05949	2.1
211.06218	0.7
216.08163	1.5
217.06573	8.5
217.08749	1.1
219.06641	0.8
220.07591	1.1
222.06787	0.6
223.07625	4.2
226.93547	0.5
233.08360	3.5
234.09154	26.7
235.07785	6.8
236.10533	0.7
237.09206	3.7
238.08667	7.7
239.07022	1.6
247.07664	4.0
248.07057	16.3
249.07773	11.8
250.29727	0.5
252.10197	1.4
262.08646	9.1
263.09354	0.9
264.10208	100.0
265.08588	1.6
266.11725	5.6
267.08960	1.5
282.08490	0.8
282.11246	15.4
294.05103	1.9
295.05560	3.4
296.06290	1.1
296.12811	11.5
307.05984	0.8
308.06354	4.1
309.07016	1.0
310.07901	1.1
314.10617	0.7
314.13943	2.6
320.06332	0.9
325.07272	1.3
326.07440	3.4
335.23248	0.6
337.06955	2.4
338.07428	8.7
351.08643	0.5
352.09174	1.0
355.08029	0.9
356.08401	4.7
368.08438	0.5
380.08347	3.2
387.74594	0.5
392.08487	1.1
404.08240	0.9
422.09570	1.8
440.10681	2.7
444.16623	11.9
458.11664	6.3
476.19177	65.9
477.19650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.9
55.05506	2.9
57.03419	6.9
57.07066	1.8
59.04987	3.1
61.02927	3.1
63.10515	1.7
67.05495	4.0
69.03433	17.7
69.07069	6.4
69.25813	16.3
71.04986	6.6
73.02907	3.4
76.81395	1.7
79.05484	5.7
81.03426	8.3
81.07066	12.6
83.04963	2.2
83.08598	5.3
85.02910	39.5
85.06546	3.6
87.00833	19.4
91.05471	7.5
93.07022	9.2
95.04966	16.0
95.08609	8.3
97.02892	10.8
97.06538	25.6
99.04469	8.5
99.08073	4.1
105.01881	21.2
105.07036	18.2
107.08604	15.1
109.02900	10.5
109.06521	42.7
109.10172	15.0
111.08087	3.2
115.07588	9.5
117.01833	2.3
119.04929	2.3
119.08577	12.2
119.43996	2.0
121.02872	4.1
121.06438	1.9
121.09421	2.2
121.10168	20.9
123.08064	6.1
123.11695	4.1
125.05958	2.5
125.09594	3.5
127.03926	22.3
127.07520	2.4
131.08569	11.0
133.10144	47.7
135.08034	7.6
135.11673	5.9
139.11156	2.4
145.04982	7.9
145.10077	3.6
147.04349	2.7
147.11693	31.3
149.13251	5.8
151.11189	4.0
153.09126	20.3
158.10873	3.8
159.02954	3.9
163.11269	1.7
163.14795	6.6
165.12747	10.1
167.14256	2.2
171.10150	3.3
173.13280	26.5
175.03920	3.8
181.54236	1.7
191.12646	3.5
191.14308	40.7
206.74884	1.6
207.06601	11.1
209.15373	100.0
225.14960	1.7
227.16435	60.8
230.53474	1.6
231.04984	4.6
267.20224	1.9
291.93469	1.8
294.05182	4.5
295.05865	3.3
297.07562	2.9
307.05994	7.9
325.07166	10.2
337.07043	13.7
355.08151	3.8
391.07855	2.4
421.08893	4.9
439.10156	9.5
457.11310	8.6
475.11319	3.9
475.21677	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01871	3.0
55.05506	2.4
56.96574	1.7
57.03435	4.1
57.67919	1.1
58.06594	2.2
61.02922	2.6
65.03934	1.4
67.05510	6.1
68.99787	1.4
69.03426	8.3
69.07064	3.7
69.22414	10.5
70.06580	4.4
71.05009	14.5
72.08161	2.0
72.66504	1.0
73.02908	2.9
75.17816	1.1
79.05484	3.5
81.03424	9.2
81.07069	6.5
83.04985	3.9
83.08640	1.7
84.04504	1.4
84.08142	1.9
85.02915	19.2
85.06535	4.5
86.09686	4.0
87.00831	7.0
87.04451	1.2
91.03956	2.1
91.05491	8.7
93.07053	7.5
94.06547	1.3
95.04977	82.1
95.08592	4.9
97.02914	8.8
97.06528	4.6
98.97582	1.4
99.04463	46.4
99.08083	1.8
101.06021	2.3
103.05491	1.6
103.95230	1.0
105.01871	5.3
105.07040	7.4
107.04983	1.1
107.08612	9.6
109.02880	10.5
109.06519	3.6
109.10158	8.2
110.06850	1.2
111.04442	2.1
111.08109	1.6
115.07578	1.8
119.04941	3.9
119.08572	4.7
120.08107	1.8
121.02898	1.4
121.06492	2.4
121.10137	6.0
123.08077	4.1
123.11694	2.8
125.05980	1.9
125.09641	2.0
127.03929	12.7
129.01904	1.2
130.05037	2.0
131.04916	2.9
131.08569	4.3
133.06479	1.5
133.10143	18.2
134.98296	1.1
135.08067	2.9
135.11694	1.9
136.06187	2.2
137.05991	9.1
137.60963	1.0
139.11148	1.9
145.04990	5.1
145.06425	1.0
145.10092	1.4
147.04431	1.5
147.11687	2.7
149.05986	2.7
149.09615	1.5
149.13271	4.7
151.07526	6.2
151.11194	4.2
153.09122	31.4
159.02847	2.4
159.11769	1.3
161.06009	1.5
161.09590	2.5
163.07530	1.7
163.14807	2.2
164.07072	2.6
165.05580	1.1
167.07111	2.8
169.12224	2.0
173.13254	10.7
175.07585	1.3
175.15001	1.4
176.14340	1.5
177.05515	2.2
177.14659	1.8
179.10600	1.3
184.07368	3.9
191.14336	16.8
209.15387	100.0
213.03925	2.3
227.16422	33.3
231.04857	1.7
243.08806	1.3
245.12653	1.1
271.06165	1.7
307.06470	1.3
313.19846	1.2
314.23083	1.0
325.07120	1.9
337.07077	1.9
354.20209	1.5
361.07407	1.2
376.21039	1.3
391.08105	1.6
443.74139	1.7
444.24704	2.4
457.11038	1.4
457.25345	1.5
466.25735	1.9
475.09927	2.1
475.17563	2.0
475.25278	7.5
475.32574	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	475.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.9
55.05506	2.9
57.03419	6.9
57.07066	1.8
59.04987	3.1
61.02927	3.1
63.10515	1.7
67.05495	4.0
69.03433	17.7
69.07069	6.4
69.25813	16.3
71.04986	6.6
73.02907	3.4
76.81395	1.7
79.05484	5.7
81.03426	8.3
81.07066	12.6
83.04963	2.2
83.08598	5.3
85.02910	39.5
85.06546	3.6
87.00833	19.4
91.05471	7.5
93.07022	9.2
95.04966	16.0
95.08609	8.3
97.02892	10.8
97.06538	25.6
99.04469	8.5
99.08073	4.1
105.01881	21.2
105.07036	18.2
107.08604	15.1
109.02900	10.5
109.06521	42.7
109.10172	15.0
111.08087	3.2
115.07588	9.5
117.01833	2.3
119.04929	2.3
119.08577	12.2
119.43996	2.0
121.02872	4.1
121.06438	1.9
121.09421	2.2
121.10168	20.9
123.08064	6.1
123.11695	4.1
125.05958	2.5
125.09594	3.5
127.03926	22.3
127.07520	2.4
131.08569	11.0
133.10144	47.7
135.08034	7.6
135.11673	5.9
139.11156	2.4
145.04982	7.9
145.10077	3.6
147.04349	2.7
147.11693	31.3
149.13251	5.8
151.11189	4.0
153.09126	20.3
158.10873	3.8
159.02954	3.9
163.11269	1.7
163.14795	6.6
165.12747	10.1
167.14256	2.2
171.10150	3.3
173.13280	26.5
175.03920	3.8
181.54236	1.7
191.12646	3.5
191.14308	40.7
206.74884	1.6
207.06601	11.1
209.15373	100.0
225.14960	1.7
227.16435	60.8
230.53474	1.6
231.04984	4.6
267.20224	1.9
291.93469	1.8
294.05182	4.5
295.05865	3.3
297.07562	2.9
307.05994	7.9
325.07166	10.2
337.07043	13.7
355.08151	3.8
391.07855	2.4
421.08893	4.9
439.10156	9.5
457.11310	8.6
475.11319	3.9
475.21677	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.3
57.03433	5.3
59.05002	3.8
61.02943	2.6
65.66464	2.4
67.05492	4.9
68.28277	3.0
69.03430	19.4
69.07056	4.8
70.13212	12.5
71.04996	7.0
79.05499	5.3
81.03403	9.8
81.07071	13.7
83.04987	4.3
83.08625	3.0
85.02431	4.3
85.02911	44.6
85.03379	5.1
85.06556	2.8
87.00847	15.9
87.65593	2.6
91.05470	10.2
93.07037	9.2
95.05000	14.3
95.08603	6.6
97.02905	10.1
97.06526	22.9
99.04452	7.7
105.01865	18.4
105.07033	16.3
107.08604	15.0
109.02878	8.1
109.06532	45.4
109.10201	12.7
111.08060	3.8
115.07568	8.4
119.04898	6.5
119.08594	11.9
121.10159	21.4
123.08044	3.6
123.11745	3.4
125.06030	3.4
125.09637	3.2
127.03924	19.1
131.08574	10.2
133.10149	51.2
135.07999	6.1
135.11713	5.3
139.11183	4.2
140.87903	2.8
145.04907	7.8
145.10139	6.2
147.11716	32.1
149.13278	4.9
151.11212	3.8
153.09145	18.1
159.02948	3.0
163.14850	7.7
165.12770	6.7
167.14365	3.3
171.10194	2.8
173.13263	27.5
175.03906	11.6
191.14308	45.3
207.06551	18.8
209.15384	100.0
227.16463	63.4
227.18599	2.3
231.05020	2.7
237.34264	2.6
249.06233	3.1
297.07587	3.0
307.05920	7.0
325.07214	7.5
336.17557	2.6
337.07068	8.7
386.75269	2.8
421.09558	2.9
439.10220	5.7
457.11276	5.1
475.10809	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	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01863	3.9
55.05507	8.6
55.27259	1.8
56.30830	1.8
57.03427	6.5
57.07072	3.9
58.06594	4.5
58.95452	1.5
59.05001	2.6
61.02919	4.1
61.20110	1.7
61.28756	1.6
64.12993	1.6
67.05502	6.2
69.03438	18.4
69.07070	9.7
70.06593	30.3
71.04993	9.6
71.57259	2.5
73.02905	2.3
74.06084	6.7
79.05504	7.2
81.03415	15.5
81.07066	10.8
83.04985	4.9
83.08627	7.8
85.02910	36.8
85.06570	4.5
86.09721	5.7
87.00846	14.7
87.04462	2.7
91.05497	14.4
91.12712	1.7
93.07036	12.5
95.04971	39.7
95.08585	9.8
97.02899	11.2
97.06538	21.1
97.12508	1.8
99.04456	18.0
99.08058	4.1
103.05437	2.5
105.01857	13.4
105.07040	15.8
107.04958	2.4
107.08594	15.9
109.02905	8.6
109.06528	31.5
109.10139	11.7
111.08091	3.1
117.07013	3.3
119.04955	7.8
119.08611	12.9
120.08109	6.3
121.02883	16.4
121.06526	1.8
121.10159	23.7
123.08079	13.9
123.11722	2.8
125.09630	4.5
127.03913	22.0
127.08651	3.3
131.08566	11.2
133.02850	2.0
133.10133	46.5
135.08067	6.9
135.11681	5.5
137.05975	11.6
137.09628	2.4
138.06337	2.4
139.11189	3.6
145.02892	2.9
145.04985	7.5
145.10033	4.3
147.04388	1.7
147.11693	30.7
149.09641	3.7
149.13274	7.8
151.07544	5.1
151.11163	3.2
153.09094	26.3
153.12715	1.7
155.08157	2.5
159.02925	4.0
161.05875	2.0
161.13306	2.4
163.11150	2.1
163.14822	5.2
165.12743	12.2
166.08626	3.6
171.10190	6.0
173.13261	19.4
175.03915	3.7
175.14851	5.4
176.14355	2.0
177.14658	2.0
184.07422	2.2
187.03848	2.7
189.01936	2.1
191.07109	3.9
191.14322	49.0
192.07352	2.4
201.01782	2.8
201.05606	1.8
203.03413	6.4
207.02859	2.0
207.06549	5.4
207.08237	2.3
209.15381	100.0
215.03412	2.1
217.04997	2.4
219.02893	2.5
227.12927	3.0
227.16423	91.0
229.15520	6.5
231.05013	4.3
243.02948	2.0
249.12268	2.3
271.05960	3.3
283.06049	6.4
286.17575	2.5
291.06473	2.4
294.05396	3.7
295.06039	6.7
297.07574	5.7
299.05579	2.4
307.06122	11.4
308.06772	4.1
309.07474	4.6
313.07178	2.7
313.20044	3.2
319.05923	4.4
320.06866	6.8
321.07623	7.2
325.03546	3.3
325.06982	21.7
333.07498	5.0
335.05496	2.7
335.09326	3.9
337.07007	18.3
347.05646	2.7
349.06973	13.7
351.08585	2.8
353.06708	4.2
355.08090	3.2
361.07062	20.4
362.07706	2.3
363.08774	7.3
365.10574	3.0
375.08542	4.5
377.06308	2.6
379.08102	6.6
388.77509	2.1
391.08148	42.3
403.08411	2.4
421.09006	5.0
429.09839	4.3
439.10229	14.6
447.10822	4.6
457.10965	10.7
475.10211	42.6
475.25055	11.9
475.32654	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	475.124
Annotation	Germanaism B
Peak:m/z	Relative Intensity
50.39504	0.4
53.00874	0.4
53.03941	0.7
55.01855	1.5
55.05480	0.6
56.96573	0.4
57.03412	1.1
58.06572	0.4
61.02915	0.7
65.03921	0.8
67.05463	1.0
68.99783	1.3
69.03422	2.2
70.06583	0.6
71.57181	0.4
73.02899	1.2
79.05449	0.9
81.03416	2.5
81.07023	1.5
83.04943	0.9
84.04474	0.5
84.08131	0.4
85.02904	7.2
86.09695	0.9
87.00812	0.4
91.05483	3.8
93.07017	1.0
94.27964	0.4
95.04946	1.4
95.08577	1.3
97.02861	1.4
98.97540	0.7
99.04431	1.2
103.03945	3.4
103.05444	0.7
103.22123	0.4
105.01883	0.4
105.03365	1.0
105.07001	0.8
107.04916	0.5
107.08589	1.0
109.02867	3.0
109.06489	0.7
109.10133	0.9
115.05434	0.6
117.06973	0.5
119.04935	5.1
119.08521	0.5
121.02870	11.3
121.06493	0.6
121.10125	0.5
123.00772	0.7
127.03893	1.7
131.04900	1.3
131.08554	0.4
133.02802	0.6
133.10120	1.2
135.04410	0.8
136.06163	0.7
137.02293	0.5
137.05986	2.6
138.03223	0.4
141.01782	1.5
145.02844	4.8
145.04890	0.8
147.04327	0.7
147.83580	0.5
149.02353	3.3
151.03885	1.1
151.07524	1.0
153.01797	1.4
159.04420	0.6
161.05893	0.5
161.95482	0.4
163.03929	5.9
163.07524	0.7
165.01830	14.3
167.03407	4.7
169.02771	0.4
171.04510	0.5
172.63232	0.4
173.02342	0.5
173.06044	0.4
175.07515	0.5
177.01839	2.3
177.05487	1.8
178.99762	0.5
179.03387	0.5
181.04996	1.0
183.02890	5.1
184.07301	0.7
187.03912	3.9
189.01845	0.9
190.02530	0.4
191.03397	2.1
191.14253	0.7
195.02893	3.3
197.00862	0.5
202.06186	0.4
205.04990	2.7
209.15346	1.7
211.07494	0.5
215.03365	2.7
227.07024	0.6
227.16461	0.8
229.05002	1.6
233.04431	1.6
239.07024	1.4
243.02864	2.2
243.06625	0.8
249.05540	0.4
253.05003	0.6
255.06548	1.3
256.07306	1.4
261.03943	0.8
267.06543	14.0
267.09445	0.7
269.07880	0.4
270.05215	5.2
271.06021	11.1
273.03799	0.7
277.08646	1.1
279.06531	4.1
281.04935	0.7
281.08066	12.1
283.06021	80.4
284.06778	14.2
285.07507	1.3
289.08405	1.0
291.06451	0.9
294.05075	0.7
295.06027	26.0
295.09622	7.6
296.06592	0.5
297.03958	2.3
297.07568	6.7
299.09195	0.9
305.08054	8.7
307.06024	5.6
308.06784	7.9
309.04111	1.6
309.07547	33.6
311.05557	3.1
313.07056	100.0
314.07379	1.1
319.05978	2.0
321.07599	1.0
323.05847	1.2
323.09125	33.3
325.07147	3.2
325.10590	0.5
326.07892	0.4
333.07608	13.0
335.05487	1.3
337.07062	51.2
339.05090	0.5
343.08237	0.7
349.07190	1.1
351.08630	7.2
355.08209	2.6
361.07074	16.4
365.10117	0.7
367.08109	1.3
379.08133	98.8
380.08478	1.3
393.09827	0.4
397.09222	4.1
415.10040	1.3
421.09213	3.6
439.10281	35.5
453.23734	0.6
457.11319	25.4
475.12369	16.7
475.17578	0.4
475.26709	0.6
475.32462	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	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
59.34373	0.3
60.95405	0.2
61.02924	0.3
65.03947	0.4
67.05506	1.1
69.03432	1.8
69.07072	0.3
69.67302	0.6
69.67694	1.5
71.05000	0.6
79.05494	5.3
81.03426	0.6
81.07068	1.0
83.04986	0.3
85.02909	0.7
85.06549	0.5
86.46363	0.2
86.56799	0.3
87.00864	0.3
90.26537	0.2
91.03946	0.3
91.05478	5.5
91.06006	0.4
93.07049	2.5
95.04975	5.3
95.05566	0.5
95.08611	4.5
97.02923	0.3
97.06541	0.3
105.07041	3.5
107.08599	14.2
109.02872	0.4
109.06533	3.1
109.10138	2.0
112.03206	0.3
115.05430	1.5
117.07022	4.2
119.05058	0.3
119.06030	0.7
119.08578	0.5
121.06503	0.3
121.10155	0.8
123.08077	0.3
129.07024	0.4
131.08575	2.6
133.10141	2.5
135.08060	100.0
136.08389	0.5
137.05991	1.0
144.09383	0.3
145.04988	0.3
145.10114	0.7
147.11679	0.8
149.09602	1.8
149.13246	0.7
158.10876	0.5
173.13274	5.0
191.14313	78.2
192.14651	0.9
209.15363	1.1
222.19125	0.3
296.40308	0.3
384.21353	0.5
439.15497	0.3
474.23022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
59.34373	0.3
60.95405	0.2
61.02924	0.3
65.03947	0.4
67.05506	1.1
69.03432	1.8
69.07072	0.3
69.67302	0.6
69.67694	1.5
71.05000	0.6
79.05494	5.3
81.03426	0.6
81.07068	1.0
83.04986	0.3
85.02909	0.7
85.06549	0.5
86.46363	0.2
86.56799	0.3
87.00864	0.3
90.26537	0.2
91.03946	0.3
91.05478	5.5
91.06006	0.4
93.07049	2.5
95.04975	5.3
95.05566	0.5
95.08611	4.5
97.02923	0.3
97.06541	0.3
105.07041	3.5
107.08599	14.2
109.02872	0.4
109.06533	3.1
109.10138	2.0
112.03206	0.3
115.05430	1.5
117.07022	4.2
119.05058	0.3
119.06030	0.7
119.08578	0.5
121.06503	0.3
121.10155	0.8
123.08077	0.3
129.07024	0.4
131.08575	2.6
133.10141	2.5
135.08060	100.0
136.08389	0.5
137.05991	1.0
144.09383	0.3
145.04988	0.3
145.10114	0.7
147.11679	0.8
149.09602	1.8
149.13246	0.7
158.10876	0.5
173.13274	5.0
191.14313	78.2
192.14651	0.9
209.15363	1.1
222.19125	0.3
296.40308	0.3
384.21353	0.5
439.15497	0.3
474.23022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01862	1.8
55.05505	1.0
57.03429	1.5
57.07073	1.0
59.04996	0.9
61.02923	1.1
67.05508	4.5
67.28815	0.7
69.03441	4.3
69.07047	1.3
71.05000	3.7
71.30820	0.6
71.57160	0.7
73.02925	1.0
79.05497	3.6
81.03419	4.3
81.07063	3.4
83.04982	0.7
85.02911	8.9
85.06555	3.2
87.00826	3.7
91.05484	5.7
91.80578	0.7
93.07064	3.9
95.04984	3.1
95.08613	4.2
97.02891	3.0
97.06525	2.9
98.97516	0.8
99.04446	1.7
105.01877	3.6
105.07043	8.8
107.08607	8.3
109.02863	3.1
109.06526	69.3
109.10162	17.6
110.06853	0.7
111.08085	1.7
117.07020	1.8
119.04906	0.7
119.08578	4.2
121.10162	4.1
123.08086	9.4
127.03929	6.3
131.07591	1.0
131.08575	16.7
133.10141	33.6
135.08064	29.2
135.09119	1.4
137.06010	1.1
143.08546	1.9
144.09389	1.2
145.05019	3.1
145.10110	3.3
147.11691	3.6
149.09608	3.4
149.13245	2.2
151.07501	1.7
153.09126	2.5
158.10916	2.6
159.02896	2.6
163.14812	1.1
173.13277	33.7
175.14847	0.7
177.07870	1.1
178.08577	0.8
181.91600	0.6
191.14320	100.0
192.14688	1.4
202.08646	0.9
209.15381	67.3
211.07773	0.6
231.04926	1.3
247.14867	0.6
301.95633	0.6
322.16541	1.9
357.67093	0.6
381.10471	0.6
406.06244	0.6
452.19778	0.7
474.18338	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
55.01860	2.4
55.05517	1.3
57.03443	7.5
61.02917	2.2
67.05505	2.2
67.60754	0.8
68.99789	2.9
69.03436	15.3
70.06577	0.8
70.74007	0.9
70.74323	1.8
71.04992	3.5
73.02914	3.2
77.53048	0.8
79.05495	2.1
80.05016	1.1
81.03423	20.7
81.07060	2.7
83.01344	1.1
83.04987	0.8
83.08662	0.8
84.04437	0.9
85.02907	22.8
87.00829	2.9
87.04444	0.7
89.39613	1.0
91.05474	4.2
93.07043	1.7
95.04976	1.7
95.08624	2.7
97.02898	29.6
98.97605	1.1
99.04470	6.3
101.02386	49.3
103.03985	0.8
103.05482	1.1
105.07018	2.5
107.04951	2.6
108.04489	12.1
109.02888	25.7
109.06531	3.4
109.10162	2.4
115.03905	1.3
119.03425	100.0
119.08566	1.8
120.89761	0.7
121.06531	1.4
121.10150	1.2
123.08086	1.1
126.05550	3.7
127.03925	35.1
131.03421	9.5
131.08524	1.3
133.10123	1.7
135.08075	2.1
137.05966	2.4
145.04970	12.7
145.10098	1.0
147.11684	1.4
151.07553	1.0
154.06252	5.4
161.04482	2.8
161.06049	1.2
163.07509	5.6
164.07056	1.4
173.04477	17.0
173.05832	0.6
173.13321	1.0
175.14816	1.6
191.14275	4.5
195.08388	1.1
195.10172	21.6
207.10095	0.9
209.15350	3.8
221.39206	0.8
226.07112	1.3
227.05573	3.8
244.08231	3.1
245.06598	12.9
255.10150	0.8
262.09216	5.4
263.07611	2.5
280.10269	1.0
349.70789	1.7
474.29596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06626	0.7
61.12959	0.3
64.05360	0.2
69.03436	0.6
69.62260	1.3
69.62679	0.5
70.06614	1.2
72.08167	1.0
72.71738	0.4
81.03449	0.3
84.04527	0.8
84.08165	0.5
85.02947	1.1
86.09754	0.7
97.02920	0.6
109.02920	0.5
121.02898	0.4
126.05549	0.7
127.03931	0.4
128.04974	4.6
129.06677	0.5
132.04439	0.3
136.07623	0.5
137.06017	0.4
144.06573	0.8
148.54431	0.3
148.95778	0.3
150.05565	0.9
156.04449	11.8
158.06087	1.0
174.05630	0.4
181.96082	0.3
186.05615	0.8
187.06424	0.3
188.07083	24.4
189.07751	0.7
193.03120	0.5
207.09152	0.9
208.09584	1.0
212.27194	0.3
221.10706	0.8
222.11125	1.1
224.12689	0.4
233.08455	0.8
239.11928	0.4
240.12218	1.0
250.08781	0.3
254.08102	0.5
267.08731	0.4
267.11353	0.5
268.09589	4.9
280.09674	0.7
282.07663	1.0
283.08478	0.5
296.05981	0.6
296.09195	9.1
297.09967	11.7
312.12317	100.0
313.12714	1.6
345.13367	0.5
394.14685	1.1
412.15842	0.3
457.11078	0.4
474.17596	15.3
475.18250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68826	0.2
55.05509	0.2
70.69724	0.2
70.70063	0.4
79.05517	0.2
81.07063	0.2
87.04443	0.2
95.08598	0.2
109.10132	0.2
119.08586	0.2
134.98181	0.3
145.02873	0.2
158.10402	0.2
165.08899	0.2
177.05386	0.4
234.96825	0.1
336.06955	0.2
473.34518	100.0
474.35022	1.7
475.41443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07052	0.4
59.04979	0.3
62.78292	0.3
63.21155	0.2
67.05495	0.4
69.07059	0.4
69.88082	1.4
71.08620	0.6
77.39937	0.3
85.10178	0.4
106.64832	0.3
134.98256	0.7
165.09138	0.3
205.12167	0.4
339.28049	0.5
406.85120	0.3
473.34525	100.0
474.34888	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1738
Annotation	Raloxifene
Peak:m/z	Relative Intensity
50.20673	0.3
52.76553	0.3
55.66988	0.4
56.96516	0.4
66.49013	0.3
69.90341	1.6
70.06537	0.4
72.92776	0.4
84.04472	0.3
85.02908	0.5
93.44016	0.3
98.97534	0.4
104.04967	0.4
105.03374	0.5
105.05778	0.4
111.05575	3.1
120.04447	2.4
122.59821	0.4
123.05515	0.6
125.05843	0.9
126.06634	2.0
132.04457	22.7
133.05232	0.5
134.06027	5.1
137.04643	1.6
137.05809	0.4
146.02292	0.3
151.05031	0.6
151.06152	7.9
159.09074	0.3
165.07660	0.4
194.06754	4.3
195.07483	0.7
202.09790	1.7
208.08255	0.6
216.11324	0.7
227.09302	0.5
230.09325	1.7
232.10710	0.8
242.09280	4.7
255.08630	0.5
257.10257	4.5
258.08740	0.8
259.09329	0.7
259.11914	10.5
284.11426	6.1
300.18808	0.3
302.12473	13.8
302.15933	0.7
312.12387	1.2
315.02728	0.4
327.11884	2.9
342.06946	0.5
345.13068	100.0
346.13336	1.3
360.05505	0.6
456.16125	1.5
474.17279	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27537	0.4
57.42846	0.3
61.02918	0.4
69.03461	0.4
70.30904	1.3
73.02905	0.6
81.50210	0.3
85.02899	0.8
86.09724	0.3
97.02935	0.4
121.02930	0.4
122.58373	0.3
137.02373	1.1
137.06010	0.4
143.03159	0.5
161.02231	0.3
161.06001	0.4
177.07913	0.7
187.76912	0.4
189.01826	0.9
203.03481	0.4
203.05283	5.4
207.02931	1.0
207.13901	0.6
225.15063	0.4
245.05199	0.8
249.14641	3.6
251.11287	0.5
251.12654	0.4
269.12415	0.6
281.72351	0.4
284.07056	0.4
293.13126	1.7
295.06042	1.6
310.04871	1.0
311.05597	0.7
311.14673	13.4
313.07089	1.7
320.18588	0.5
323.05441	2.9
324.06247	0.6
325.07071	1.2
329.06491	0.5
335.05597	0.5
337.07080	0.4
341.06604	4.8
342.07376	0.7
348.20117	0.8
349.07153	0.5
353.06607	5.7
353.14410	0.5
367.08112	0.7
369.05994	1.2
370.21301	0.4
371.07516	0.5
383.07635	0.5
393.05829	0.5
395.07779	1.2
411.19943	1.3
413.16977	1.6
429.22653	0.6
437.08456	1.7
451.23730	2.0
451.73831	0.5
455.09668	2.9
456.08969	0.4
463.76151	0.4
473.19943	100.0
474.20343	2.3
490.50616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.2
55.01871	4.2
55.05515	2.8
57.03442	3.7
58.91943	1.8
67.05510	22.5
69.03437	15.7
69.07069	2.4
70.06590	4.7
71.04996	2.3
79.05491	3.4
81.03430	15.4
81.07064	15.4
83.04993	2.4
84.08163	2.1
85.02911	84.5
85.06544	7.2
86.09706	4.9
87.00829	11.9
87.04454	2.7
89.06033	14.9
91.05492	7.8
93.07054	7.1
94.68599	1.9
95.04963	3.5
95.08611	63.7
97.02895	14.9
99.04452	7.3
103.03939	2.8
105.01870	14.7
105.07042	8.5
107.04990	2.7
107.08586	10.1
108.09962	1.9
108.52380	1.9
108.57751	1.9
109.02880	13.9
109.06535	4.1
109.10169	8.3
113.06021	7.8
119.04901	2.8
119.08577	16.2
121.06526	3.5
121.10133	11.0
123.08102	21.0
123.11710	59.0
125.06019	3.8
127.03921	19.8
131.08560	2.6
133.07742	2.1
133.08601	9.2
133.10112	3.9
135.11688	11.0
137.02359	8.3
137.09642	3.0
145.04970	6.1
147.04449	3.3
147.08002	4.1
147.11705	13.1
149.09628	30.5
151.07529	6.0
159.02899	3.2
161.13312	10.6
163.11197	8.8
165.12808	4.3
167.10710	4.8
179.03453	3.7
179.14368	3.7
189.01894	4.9
189.03937	2.9
189.12769	21.1
203.03418	2.8
207.02953	4.8
207.13820	100.0
213.03906	3.0
225.12822	3.8
225.14885	44.1
231.04996	3.1
255.06699	5.1
283.17300	2.0
295.06009	6.5
309.07416	2.7
310.04752	4.4
311.05457	7.4
313.06985	4.1
323.05493	19.4
324.06314	4.5
325.07053	4.0
337.06982	2.8
338.08047	3.3
341.06534	34.8
349.07040	2.8
352.05994	2.5
353.06564	17.5
354.97519	2.5
367.08240	9.2
377.06659	2.9
381.09760	3.4
383.07614	2.5
391.08124	4.1
394.60519	2.7
395.07617	16.6
407.07626	4.4
419.07590	6.9
425.08545	5.5
437.08789	12.0
455.09811	20.6
473.10898	17.7
473.20081	11.3
473.29977	3.0
493.07556	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	472.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90752	0.7
66.51901	0.6
67.05489	0.8
69.03391	0.8
69.38575	2.7
69.39004	3.8
72.22431	0.7
79.05475	1.1
81.03381	1.1
84.04473	2.4
85.02872	1.0
91.05446	2.2
95.04922	1.0
97.02852	1.2
97.06509	1.2
98.20717	1.3
107.04939	3.3
108.05733	1.1
111.00773	0.9
112.33740	0.7
115.05456	10.4
116.18368	0.8
119.04916	0.8
124.05113	0.8
126.03140	4.1
127.03870	1.0
133.06374	0.9
134.05998	1.8
135.04391	1.2
136.05162	2.2
137.05974	5.9
143.04933	31.9
145.06421	1.2
146.05974	1.3
147.08083	1.0
149.05928	1.0
150.06767	1.9
151.07552	54.7
158.07220	1.4
160.05222	4.6
161.05959	1.2
162.05516	37.6
163.06306	8.7
165.05402	1.3
165.09158	3.9
172.07584	3.7
174.05441	1.2
174.06760	4.5
175.06241	6.2
175.07539	15.7
176.07085	11.4
176.15131	0.8
177.07861	59.3
178.08650	52.7
188.07021	1.7
189.07681	1.6
189.09126	2.9
191.07037	1.7
200.07004	2.0
201.07765	2.0
202.06892	1.2
202.08647	14.2
204.10178	4.6
205.08583	1.3
206.02080	0.8
216.10155	1.9
217.07336	2.3
230.08138	1.9
231.08833	3.9
232.09702	35.6
244.09732	1.2
249.09204	1.5
250.09804	1.3
253.08571	1.1
253.12206	1.7
260.09152	1.6
267.10077	1.5
279.10022	1.0
280.10922	1.6
281.11688	1.3
282.12057	1.2
283.09564	0.8
294.11127	1.0
295.12204	1.3
296.09793	1.0
299.12656	0.9
302.10349	2.9
303.10962	6.3
306.11264	0.8
308.09305	1.6
308.12814	3.2
310.10751	2.0
311.12766	2.1
313.14285	4.1
320.12796	1.3
322.10785	1.7
323.11639	4.5
324.12531	0.8
326.13925	1.2
332.12836	1.4
334.10635	1.3
336.12314	0.8
338.13934	12.3
340.15359	3.7
348.12320	5.1
349.13181	1.3
350.13956	1.1
352.15079	1.0
364.15378	6.9
366.13431	1.0
382.16516	100.0
383.16959	2.4
410.19672	0.9
425.69583	0.8
426.19318	3.4
428.20782	15.5
429.20538	0.8
454.18637	97.8
455.19052	2.1
472.19489	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	473.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13112	0.6
55.01628	0.8
55.01876	11.3
57.15219	0.7
69.03424	0.8
70.02962	1.3
71.23600	0.7
72.04532	4.2
75.92272	0.6
79.22606	0.6
82.43439	0.7
83.06105	5.0
84.04509	23.3
85.02898	1.7
90.05562	3.1
97.02900	1.8
98.76328	0.7
107.06108	1.2
109.07648	2.7
114.58821	0.6
121.06492	1.6
123.05560	0.9
126.05519	68.0
127.03935	1.2
129.06610	10.7
130.05011	1.4
132.04462	0.7
135.05545	1.1
136.06175	0.7
137.05977	1.6
138.09091	1.0
139.02098	1.3
141.06577	2.1
144.06561	46.9
147.02652	8.3
149.00613	0.8
151.02177	1.9
151.06268	2.2
153.06578	5.9
154.05066	0.9
155.01624	15.5
155.08154	1.9
159.07637	2.9
165.03629	1.0
167.01591	4.1
169.03198	3.6
171.99097	0.7
175.02138	9.7
181.03165	0.8
181.06079	10.2
184.04327	3.7
186.05867	1.9
192.04742	1.5
193.03192	39.4
195.04858	0.9
199.07124	5.7
210.05763	3.8
221.02440	0.8
237.45811	0.8
270.10855	1.8
290.88287	0.7
309.09085	2.8
310.07419	3.1
327.10065	8.9
344.12756	100.0
345.12903	0.7
346.13483	0.8
366.11346	1.4
384.12250	7.7
433.41821	0.7
455.15961	15.9
473.10895	0.8
473.17038	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	471.3658
Annotation	Glyceryl tri(2-ethylhexanoate)
Peak:m/z	Relative Intensity
54.29424	0.2
64.43141	0.2
71.42593	0.5
79.55286	0.2
83.28841	0.2
83.64357	0.2
100.12840	0.2
217.74307	0.2
426.34595	0.3
459.25238	0.3
471.36597	100.0
472.36972	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	471.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34159	0.2
66.91603	0.2
70.72276	0.6
98.26176	0.2
98.46319	0.2
102.56337	0.2
116.15215	0.2
133.08731	0.2
157.22337	0.2
309.33749	0.2
471.36591	100.0
472.36926	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.5
55.01876	10.5
55.05521	1.2
57.03447	6.6
61.02929	8.2
61.36031	1.5
67.41348	1.2
68.99791	3.1
69.03078	1.9
69.03435	30.4
70.18398	5.1
71.01344	1.1
71.04974	4.6
73.02915	10.3
79.05484	2.3
81.03422	31.7
81.07088	1.5
85.02908	100.0
85.06516	2.4
87.00832	42.4
91.03960	3.1
97.02895	56.8
98.06050	2.1
99.03851	1.3
99.04457	18.4
102.52307	1.1
105.01871	65.8
105.03388	23.0
107.59874	1.2
109.02883	39.1
109.84832	1.2
111.04431	1.9
115.03929	1.6
117.01840	3.7
123.04424	4.9
127.03919	99.2
129.01842	4.2
137.10580	1.4
145.04964	69.4
147.02902	2.6
159.01691	2.4
159.02895	27.6
165.09190	1.6
168.00966	1.4
177.03893	2.1
189.03897	2.5
189.09154	3.5
193.08711	1.7
211.09669	3.4
213.03935	5.6
231.05011	35.3
240.78470	1.3
249.06090	12.1
253.08669	2.5
265.08469	2.4
267.10138	1.6
268.11014	2.0
270.08890	1.7
279.10284	2.5
280.10947	2.3
281.11758	2.0
282.12469	1.9
285.11182	4.6
296.10535	2.9
311.12863	2.6
315.10483	2.7
349.77216	1.2
356.18701	2.4
382.16391	16.0
398.19522	2.0
426.19086	2.1
428.20605	2.8
454.18692	21.5
472.21094	2.4
492.93781	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49496	1.9
55.05524	2.8
57.07080	100.0
58.04213	2.6
59.05009	27.2
62.98274	2.7
69.07067	3.3
70.71855	3.1
70.72201	2.5
71.08637	80.5
72.05775	3.4
73.02939	3.0
73.05264	1.7
73.06554	3.0
83.08634	2.7
85.06590	1.3
85.10190	78.3
87.04485	5.2
88.05231	2.2
89.06034	12.7
90.01915	18.9
95.08617	3.3
95.89034	1.9
97.10175	4.6
99.11737	14.7
103.07591	5.5
107.64894	1.6
109.10143	2.0
113.13304	4.6
117.09130	5.0
124.93800	3.1
133.08629	4.6
141.16420	4.6
152.15628	3.4
155.17937	10.1
156.96368	5.0
183.17491	2.9
199.20428	3.3
212.21277	1.9
213.22104	10.9
222.09741	5.5
240.10725	8.2
257.24838	3.6
284.18085	2.7
293.81412	1.7
298.14899	2.4
437.20490	5.9
469.23053	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	470.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.1
56.05051	1.7
56.96560	1.6
58.06328	1.1
58.06613	2.8
69.03444	2.4
69.07082	2.9
70.06595	7.9
72.04536	1.3
72.08157	3.6
79.05500	2.5
81.07060	2.0
82.06587	1.0
84.04533	3.9
84.08170	4.1
85.02920	3.0
86.09702	10.5
91.05514	4.7
93.05766	1.9
94.06577	3.0
97.02911	1.7
98.09693	1.7
98.97571	2.6
101.02945	1.0
103.05457	1.3
104.05059	1.3
105.07059	1.7
106.06554	14.1
106.07144	1.4
107.04956	21.2
107.07384	2.0
108.08157	3.2
109.02956	1.2
109.06554	1.3
116.98665	1.4
117.05753	1.9
118.06534	5.4
119.04964	1.1
120.04504	1.2
120.08167	2.3
123.04430	1.0
125.06032	1.6
127.03966	1.8
129.10275	1.5
130.06534	44.9
130.07472	2.2
131.04965	1.7
132.08199	2.4
132.10229	1.9
135.04478	1.7
135.05569	2.2
136.07651	3.5
137.05984	59.9
138.05533	2.4
143.97466	1.2
143.99498	1.2
148.06381	1.0
149.06053	2.1
150.05507	1.8
154.06583	1.2
156.08112	1.3
161.06041	1.4
162.09149	1.4
163.08693	1.2
164.07047	5.0
167.07318	2.0
168.08141	2.0
177.06682	3.4
178.03572	1.0
178.05093	4.5
179.07104	1.9
179.08585	1.8
180.08144	2.9
181.08910	1.5
183.09155	2.0
191.07352	2.6
194.09766	4.5
195.09381	1.3
204.08209	4.8
205.06110	1.9
205.09030	2.5
206.08003	1.5
206.09740	22.8
206.11534	1.9
207.09308	3.2
208.09802	2.0
208.11559	1.9
209.10847	2.2
215.58681	1.2
218.09848	2.1
219.09128	5.8
219.15053	3.8
220.09962	8.8
221.10724	17.7
221.12625	1.3
222.11595	6.7
222.13493	1.9
223.12309	23.9
231.15045	1.8
233.10721	8.1
234.11481	2.2
235.12302	33.9
236.13019	1.9
239.11887	2.4
245.12932	1.2
247.12260	3.1
248.09564	2.1
249.10411	4.6
253.12167	3.0
254.10553	2.7
255.07846	1.5
261.10269	7.2
263.11792	11.8
263.14063	1.2
265.15506	9.3
267.11459	4.2
273.11325	5.3
277.08234	2.5
277.15543	1.6
279.11331	5.2
281.13016	3.5
289.09753	2.1
290.13135	3.5
294.11432	1.5
306.12408	18.6
307.10748	17.2
307.14011	1.1
308.11725	2.8
309.14594	3.0
318.12292	1.3
325.12039	2.9
339.13593	3.6
341.08145	2.1
348.20703	14.0
348.24341	1.3
374.18646	15.8
394.21280	100.0
402.18216	6.9
420.19473	3.9
426.24036	1.4
438.20251	45.2
439.20636	2.3
470.12360	1.9
470.23157	46.9
471.23395	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.0
53.92310	1.7
53.95349	1.7
55.01866	5.0
55.05518	7.5
56.96558	3.0
57.03415	3.9
57.07054	2.2
61.02925	3.6
67.05511	12.6
68.99776	4.2
69.03432	38.7
69.07072	9.9
70.53072	4.8
71.04995	10.1
73.02901	2.5
79.05489	8.0
81.03426	51.6
81.07066	31.4
83.04958	3.4
83.08622	2.9
85.02437	3.4
85.02911	41.4
85.06559	2.7
87.00831	20.5
91.05489	11.9
93.03043	1.5
93.07053	17.7
95.08604	25.7
97.02907	11.3
97.10169	1.9
97.69764	1.6
98.97585	3.5
99.04459	15.9
103.05403	2.0
105.01846	7.4
105.07035	19.7
107.04969	2.2
107.08607	16.6
109.02882	39.5
109.06532	2.3
109.10173	20.9
111.08058	2.6
115.03947	2.8
119.08597	15.5
119.46910	1.7
121.06519	4.3
121.10140	18.5
123.08101	2.5
123.11680	5.6
125.09602	2.3
127.03925	100.0
129.01865	3.1
129.07001	2.3
131.08530	3.7
133.10168	11.1
135.08015	2.3
135.11688	7.4
137.05942	3.3
137.13354	1.8
143.08577	2.1
145.04955	3.5
145.10106	5.2
147.02895	2.0
147.11684	22.5
149.09636	2.5
149.13211	6.1
157.10120	2.0
158.99728	1.6
159.02856	3.4
159.11687	3.3
161.13240	6.3
163.14719	3.3
165.06898	1.7
173.13248	1.6
175.11034	2.1
175.14861	2.9
177.16428	1.9
189.03885	1.8
189.12770	1.6
198.02176	1.6
201.16444	3.0
203.14328	1.7
203.17964	33.6
205.19508	4.7
213.03949	2.4
217.31395	1.6
221.19043	7.9
231.05002	17.6
239.20009	2.5
245.19138	1.7
433.22079	2.6
451.22736	3.3
468.68207	4.2
469.18698	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.0
55.01866	1.9
55.05520	0.8
57.03436	1.9
59.22709	0.7
69.03437	11.2
69.68594	3.6
71.05003	4.8
79.05521	0.8
81.03426	22.4
81.07047	3.1
82.07380	0.7
83.04993	4.2
85.02887	1.9
91.05471	0.8
93.07050	1.8
95.04958	0.7
95.08615	1.6
97.02908	0.6
97.06535	1.6
99.04462	11.1
103.03947	1.8
105.07021	1.0
105.87368	0.7
107.08540	0.7
109.02893	10.2
109.06520	1.9
110.77995	0.7
117.05499	3.1
118.06532	1.8
121.06524	3.3
122.06848	2.0
127.03905	3.1
133.10158	0.8
145.07643	4.0
147.08112	1.0
147.09181	8.1
147.11681	1.3
148.12010	1.6
173.07118	9.1
175.08681	11.6
175.11131	1.4
176.11505	1.2
182.15384	0.7
190.07286	0.7
190.13147	1.5
191.08170	100.0
192.08340	0.7
198.14883	0.8
199.08656	1.2
200.11537	1.0
203.08308	0.7
208.14169	0.8
210.14862	1.2
211.13354	0.7
212.13528	0.7
215.11861	0.8
217.12233	1.6
218.12552	2.8
230.14815	1.2
231.11218	0.8
233.09103	1.0
235.13370	1.2
236.13680	4.4
253.14368	3.3
254.14682	6.0
271.10809	2.4
272.15881	0.8
289.11871	7.3
289.16360	0.7
290.16785	1.2
307.12906	29.7
325.13950	30.9
331.12869	9.3
337.07285	0.8
349.13962	6.5
354.24014	0.9
355.08142	2.2
364.33435	0.8
371.15601	1.8
382.22089	0.6
389.16913	3.2
397.14023	3.9
405.09738	0.8
409.09207	0.9
415.15039	10.2
433.09818	1.1
433.16010	11.3
451.10806	1.5
451.17102	10.9
469.11282	2.0
469.33966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2106
Annotation	CARAPIN-8 (9)-ENE
Peak:m/z	Relative Intensity
51.38435	0.2
54.14547	0.2
54.46622	0.2
60.62761	0.2
69.41898	0.3
69.42307	1.1
70.06586	0.2
74.29195	0.2
78.49367	0.2
81.03396	0.2
84.08153	0.2
94.52819	0.2
120.08060	0.2
121.06539	0.3
127.03891	0.2
136.03952	0.2
137.02411	0.3
137.05965	0.4
163.11577	0.2
164.06993	0.2
256.89682	0.2
297.06168	0.2
305.15726	10.8
310.57632	0.2
347.17249	0.3
467.21042	100.0
468.21384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70761	0.8
55.05510	1.8
57.03417	1.8
57.07077	100.0
59.05004	37.0
69.07056	2.2
70.81364	2.2
71.08635	93.0
83.08625	4.6
85.10185	98.4
86.10499	0.9
87.04458	1.6
89.06034	45.5
97.10191	1.4
98.98466	2.7
99.11741	13.7
99.24934	0.9
100.98934	0.8
101.09655	3.5
103.07568	1.7
107.07059	1.2
110.33260	0.8
113.13981	0.9
117.09146	8.3
118.74443	0.8
130.08694	0.9
131.10684	1.0
133.08601	18.2
134.47864	0.8
139.14758	0.9
141.15326	1.5
141.16376	14.0
143.29222	0.7
147.10196	4.6
151.09653	1.0
155.01051	2.7
175.09677	0.8
177.11226	20.0
191.12747	1.1
195.12296	16.5
199.20572	29.1
229.48831	0.8
235.15356	6.7
239.14891	1.0
240.23380	1.9
253.16469	10.1
257.24728	20.3
283.17575	5.7
293.19583	2.7
311.20728	1.0
314.27707	5.5
451.36209	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	468.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.9
55.05504	1.8
56.58796	0.8
57.07079	100.0
59.05008	12.1
69.07057	1.5
70.14314	3.6
71.08634	71.5
83.08612	1.9
85.10187	63.3
87.04479	1.7
89.06036	45.7
99.11724	12.1
103.07591	6.0
106.16582	1.1
113.13287	4.1
130.62115	0.9
133.08609	53.2
141.16389	1.0
149.33386	1.0
155.17958	10.3
175.09656	1.6
177.11229	11.7
195.12285	1.7
200.56996	1.0
213.22142	9.5
219.14397	0.9
221.13814	7.5
238.72917	0.8
239.14903	27.4
257.24734	5.3
267.27277	0.9
279.18155	7.3
283.17319	2.2
297.18961	4.5
314.27734	1.6
342.49332	1.0
451.36371	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	466.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
57.03453	4.7
57.07077	100.0
59.05002	55.2
69.07054	2.5
70.72321	2.7
71.08633	77.6
82.68302	1.1
83.08627	2.6
85.10184	64.2
97.10166	2.7
99.11732	13.4
101.06001	2.1
101.09652	3.4
103.07587	6.7
111.11728	1.2
113.13311	4.5
115.07536	2.6
117.09135	20.7
142.23178	1.0
155.17952	8.3
161.11729	3.4
162.80388	1.0
179.12784	1.9
199.20627	1.0
213.22131	19.3
219.15935	3.2
230.00156	1.0
237.16849	1.6
255.34134	0.9
261.35718	0.9
271.23425	1.1
271.26328	19.6
329.30466	1.3
421.03378	1.1
438.32816	1.3
449.38382	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	466.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.0
57.03436	4.6
57.07079	100.0
59.05005	85.2
69.07076	2.2
69.87943	6.0
71.08634	99.5
73.32578	1.0
78.11111	1.0
83.08614	4.2
85.10187	98.5
89.06045	1.3
97.10199	2.2
98.21400	1.5
99.08118	1.4
99.11736	13.1
101.06036	1.3
101.09651	6.2
103.07573	3.3
111.11758	1.0
117.09141	29.6
141.16382	12.4
158.11726	1.2
161.11765	1.4
167.54143	1.1
175.13297	7.9
193.14366	1.1
199.20570	29.1
213.22069	2.0
233.17422	1.9
240.23251	4.3
251.18626	1.5
257.24780	32.0
315.29041	3.3
345.83047	1.2
449.38486	9.4
494.71225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
57.03435	1.6
57.07080	100.0
59.05007	28.9
69.07059	2.3
69.39878	1.6
69.40285	5.2
71.08636	72.9
73.02515	1.6
73.02922	32.0
82.46944	0.8
83.08649	3.8
85.10188	62.9
87.04465	1.3
89.06038	2.4
97.10178	2.2
99.11742	11.7
101.06047	1.3
101.09662	2.6
102.44260	0.8
113.13285	5.5
114.78741	0.7
117.05515	1.1
117.09158	10.2
133.08612	1.9
141.16467	0.9
151.09686	2.6
155.17952	11.2
161.08018	1.1
162.24011	0.8
169.83241	0.8
179.09161	1.9
199.20560	1.5
209.13840	2.5
213.22156	18.1
219.12338	2.3
235.71439	0.8
237.13370	1.6
254.24971	0.8
257.24777	1.6
271.26334	12.6
308.12589	0.7
345.67905	0.8
356.28061	0.8
421.35266	2.4
466.37054	2.5
477.76306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81770	1.2
55.05513	2.4
57.03416	1.3
57.07080	95.1
58.81993	1.1
59.05007	44.8
61.35535	1.1
62.88366	1.0
69.07072	2.6
71.08637	100.0
71.56818	1.9
73.02922	49.4
73.64487	1.0
83.08617	4.1
85.10190	91.4
87.04473	2.0
89.06025	3.5
97.10142	2.6
99.11727	9.4
101.09650	7.7
115.56565	1.1
117.05515	1.8
117.09136	16.0
141.16411	12.2
158.01331	1.1
175.09680	3.7
179.66881	1.0
193.14421	1.3
199.20580	23.7
233.13826	1.7
240.23166	2.2
257.24814	25.2
315.28769	1.8
421.35089	2.2
466.37558	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	465.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
56.96559	0.6
57.03449	1.0
61.02917	1.4
66.48727	0.6
67.05506	1.8
69.03436	3.2
69.07069	1.4
71.04980	0.8
71.56140	0.7
73.06552	1.6
77.57065	0.5
79.05490	1.3
81.03423	1.9
81.07056	2.8
81.89171	0.6
83.08625	1.1
85.02903	3.6
85.06523	0.6
86.09689	0.9
87.00881	0.6
91.03972	1.5
91.05485	2.9
93.07045	0.8
95.08596	1.5
97.02873	2.0
99.04451	0.8
101.06019	1.3
105.07030	1.7
107.08569	0.8
109.02883	2.3
109.10155	1.0
118.20553	0.6
119.04932	0.9
119.08640	0.7
121.10146	1.0
127.00095	0.6
127.03918	3.7
129.07053	0.9
129.95152	0.5
133.10124	0.7
136.06213	0.9
137.05968	3.9
137.76913	0.6
145.09996	0.6
147.04352	1.3
147.11684	1.1
157.10251	0.6
161.05920	0.6
164.07108	2.1
173.06026	1.0
177.05527	0.8
184.07448	0.8
185.04204	0.9
185.07561	0.6
201.05243	3.2
202.62445	0.6
207.06488	0.7
213.04028	0.9
216.07587	22.8
217.08401	8.2
227.05315	1.7
238.06920	0.8
240.10658	0.6
267.15903	0.7
271.04233	2.4
285.12625	0.6
285.16928	1.4
295.10303	1.2
303.04990	0.7
361.12598	0.8
375.71381	1.1
379.13480	4.2
403.13348	0.9
421.14728	28.4
465.13715	100.0
466.14099	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45304	0.2
55.01847	0.3
57.03432	0.5
61.02924	0.9
69.03429	2.3
70.06594	0.4
70.78876	0.4
70.79200	0.5
73.02933	0.6
73.79353	0.3
81.03400	0.9
85.02917	3.7
87.04452	0.5
91.05468	0.9
95.05008	0.3
97.02891	2.0
99.04493	0.3
105.07038	0.4
109.02873	0.7
109.06538	0.3
109.98048	0.2
115.05471	4.1
118.06528	0.6
119.04919	0.7
122.03653	0.5
123.04427	1.6
127.03916	1.0
127.38132	0.3
133.06505	0.5
137.05981	13.7
143.04924	8.0
145.04971	0.4
147.04439	0.8
151.03911	0.4
151.07553	1.2
161.05984	9.8
164.07071	100.0
165.07445	0.9
175.07535	0.9
179.08543	0.8
207.08083	1.0
225.09126	0.6
235.07533	0.8
239.10672	0.4
253.08574	0.9
255.15552	0.3
285.11237	4.7
302.13855	9.6
326.12320	6.2
335.47525	0.3
464.19186	52.4
465.19662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.4
57.03429	6.4
57.07080	100.0
59.05008	50.5
59.95476	1.5
69.07055	6.9
69.67918	10.2
70.46332	1.6
71.08639	94.6
71.93519	1.6
75.04480	3.6
78.59605	1.4
79.05462	1.9
81.07039	2.8
83.08606	4.7
84.18796	1.6
85.10189	96.0
90.18346	1.5
91.05468	4.0
93.07034	1.8
95.08616	3.3
97.06542	9.0
97.10172	3.2
98.21432	2.5
99.11736	13.8
101.09675	3.0
115.07574	31.7
117.09139	18.4
119.08543	3.1
137.13226	1.7
141.16412	11.3
171.13841	2.7
173.11789	3.5
191.12764	2.7
199.20587	32.6
240.23282	2.5
257.24734	32.4
323.84262	1.9
358.45493	1.8
446.37015	2.7
464.39221	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	465.1374
Annotation	Keyakinol
Peak:m/z	Relative Intensity
70.80894	0.9
81.07064	0.4
85.02900	0.3
105.07014	0.4
121.75170	0.3
122.06008	0.9
127.00031	0.3
127.03915	0.3
142.62422	0.3
167.03233	0.4
169.92780	0.3
176.04489	0.6
185.04190	0.7
201.05234	1.4
216.07579	11.8
217.08359	8.9
217.10358	0.5
227.05251	1.2
238.06900	0.5
247.59802	0.3
256.07953	0.5
259.63947	0.3
271.04266	2.1
295.10367	0.5
379.13580	4.6
403.13577	0.7
421.14703	28.4
422.15082	0.5
465.13702	100.0
466.14008	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	464.1918
Annotation	Naamidine B
Peak:m/z	Relative Intensity
53.82876	0.3
55.01845	0.3
57.03441	0.5
61.02929	0.6
69.03428	2.2
70.21388	1.2
71.04993	0.4
73.02915	0.6
81.03398	0.9
85.02917	3.1
87.04451	0.5
87.99015	0.2
91.05456	1.0
92.56840	0.3
94.36514	0.3
97.02898	1.5
104.02380	0.3
105.07036	0.4
109.02880	0.5
115.05466	4.5
118.06559	0.5
119.04947	0.9
122.03650	0.3
123.04462	1.7
127.03962	0.5
133.06503	0.7
135.82417	0.2
137.05992	14.0
143.04935	8.4
143.05801	0.2
147.04396	0.8
151.07538	1.0
160.98781	0.2
161.04668	0.3
161.05998	7.8
164.07080	100.0
165.07524	0.6
175.07527	0.7
178.08595	0.4
179.08563	0.6
207.08099	1.1
210.06879	0.4
225.09105	0.9
235.07552	0.5
253.08537	0.5
267.10239	0.4
283.09717	0.3
285.11215	4.2
302.13879	9.1
315.27921	0.3
326.12344	8.1
464.19205	65.0
465.19513	1.2
483.64755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1922
Annotation	Naamidine B
Peak:m/z	Relative Intensity
53.03944	0.4
55.01868	0.4
57.03430	0.7
58.06594	0.7
61.02914	0.9
69.03437	3.0
69.23970	2.8
70.06580	0.6
72.69914	0.3
73.02917	0.4
79.05479	0.3
79.19071	0.3
80.90607	0.3
81.03410	1.1
85.02905	4.9
87.04453	0.5
89.06032	0.9
89.47620	0.3
90.00629	0.3
90.06403	0.3
91.05472	1.2
97.02915	1.8
97.59315	0.3
98.20780	0.5
99.04496	0.4
107.04978	0.3
107.11205	0.3
109.02885	1.1
115.05473	3.8
118.06541	0.5
119.04932	1.1
121.02902	0.5
122.03625	0.5
123.04453	2.2
127.03927	0.7
131.04993	0.3
133.06572	0.6
137.02419	0.3
137.05988	14.2
143.04930	8.8
147.04427	0.9
149.05948	0.4
151.07573	1.6
159.04755	0.3
161.04649	0.3
161.05995	10.2
164.07080	100.0
165.07397	1.1
175.07516	0.8
179.08557	0.5
201.21805	0.3
207.08107	1.2
225.09183	0.7
235.07574	0.8
239.10875	0.3
253.08649	1.1
267.10233	0.4
275.62283	0.3
283.17471	0.6
284.17856	0.3
285.11200	5.6
285.18118	0.7
302.13879	9.5
326.12344	18.1
363.47427	0.3
464.19208	45.1
465.19479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.01868	2.0
55.05515	12.3
57.07080	28.1
67.05530	7.1
69.07071	22.6
71.08632	24.2
71.15334	2.3
71.52619	1.5
79.05484	3.4
81.07065	21.1
82.05408	1.4
83.08632	13.5
85.10183	9.9
88.05740	1.6
88.76437	1.4
89.44507	1.7
91.05479	4.1
93.07029	6.6
95.04946	1.6
95.08610	14.9
97.02993	1.4
97.06526	2.7
97.10160	9.7
99.04426	3.9
105.07036	4.0
105.17814	1.3
107.08598	5.8
109.06522	12.9
109.10172	5.7
111.08054	2.4
111.11718	5.8
119.08585	4.5
119.44189	1.3
121.10160	4.9
123.08058	10.6
123.11679	3.6
125.06016	11.1
125.09634	2.8
125.13303	1.7
127.07561	39.0
131.08551	2.3
133.10132	4.0
135.11746	2.3
137.06026	4.0
137.09610	2.4
139.07544	100.0
149.05998	4.5
149.09650	3.5
151.07552	6.6
161.13313	1.8
163.07596	2.9
165.09103	3.5
167.07047	5.3
175.14803	1.8
177.09114	14.7
179.10692	1.5
189.12892	1.7
195.10095	1.4
197.96190	1.3
238.38361	1.5
301.28928	4.0
319.29959	9.7
333.20154	1.6
337.59094	1.4
342.80115	1.5
347.33057	14.7
373.30902	3.7
399.36108	3.1
403.35834	4.0
417.37204	13.8
427.35684	5.1
445.36786	54.9
463.37839	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	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05514	14.8
57.07082	32.8
58.33225	1.4
67.05502	6.3
69.07075	22.9
71.04640	1.0
71.08278	1.9
71.08637	22.9
71.09399	1.6
79.05503	5.4
81.07067	19.2
83.08629	17.8
85.06575	1.6
85.10191	15.8
88.06035	1.0
91.05489	2.5
93.07049	6.4
95.08616	16.0
97.02888	1.5
97.06528	3.8
97.10166	9.2
99.04451	4.9
104.56025	1.1
105.07012	5.9
107.04963	1.7
107.08598	5.2
109.06542	13.7
109.10166	9.1
110.97571	1.0
111.08073	2.0
111.11715	5.9
118.79722	1.2
119.08572	5.2
121.06538	2.6
121.09341	1.2
121.10159	4.9
123.08092	12.3
123.11705	4.3
125.06008	15.9
125.09678	1.6
125.13275	2.6
127.07564	41.8
127.08478	2.6
129.25180	1.4
131.08592	1.5
133.10149	2.9
135.08070	3.3
135.11714	2.2
137.05992	6.2
137.09631	3.8
139.07552	100.0
145.10207	1.4
147.11713	2.5
149.05978	3.5
149.09573	2.9
149.13298	1.8
151.07523	7.6
151.11182	1.2
157.10095	1.5
159.11714	1.2
161.09534	1.8
161.13251	2.5
163.07518	3.4
165.09111	2.9
167.07068	4.8
168.96265	1.2
169.08643	1.1
175.11192	2.5
175.14830	1.4
177.09132	14.5
179.10710	1.4
191.10667	1.5
191.14345	1.5
191.18059	1.5
193.12289	1.4
195.10104	2.0
200.83698	1.1
201.12938	1.3
203.14369	1.3
207.13887	1.2
215.89476	1.4
233.15874	1.0
249.14813	2.3
249.18457	1.9
289.29312	1.1
301.28909	4.7
319.29965	13.1
347.33069	13.6
373.31024	3.4
385.34784	2.2
399.36078	3.0
403.35519	2.5
417.37344	17.6
427.35873	3.9
445.36829	73.5
463.37860	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3788
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05515	52.0
57.06868	5.9
57.07084	69.8
60.28321	4.8
64.13347	5.8
65.93197	5.3
67.05506	19.5
69.07078	98.5
69.51360	39.6
71.08632	47.6
79.05501	14.4
81.07064	52.1
83.08627	53.6
85.10197	28.0
91.05482	16.7
93.07043	30.2
94.99064	5.8
95.08617	53.2
97.10184	37.7
100.90115	6.5
105.07026	34.1
107.08603	61.2
109.06516	22.9
109.10147	34.9
111.08111	22.2
111.11734	27.3
119.08614	42.6
121.10147	27.0
123.08099	21.7
123.11707	16.4
125.06007	14.4
125.13273	16.4
133.10153	29.0
135.08054	32.0
135.11711	13.4
137.09657	10.5
137.13225	11.9
139.07596	8.6
145.10170	15.7
147.08029	8.9
147.11694	28.1
149.09618	14.3
149.13280	9.2
151.07544	18.6
157.10184	7.1
159.11664	10.1
161.09682	11.7
161.13281	25.2
161.85889	5.5
163.07542	7.7
167.07092	11.7
173.13341	14.8
175.07532	7.5
175.11314	7.6
175.14908	8.3
177.09146	14.3
177.12746	7.6
179.07033	8.9
179.10677	9.8
181.08653	23.5
189.12775	14.9
191.14334	8.2
193.08597	11.1
193.19505	6.3
203.14261	14.3
209.16353	6.5
217.15834	7.7
234.08792	8.0
235.13231	11.0
249.14926	11.3
287.05771	11.0
291.19662	10.3
301.21591	7.7
305.21088	12.0
307.29935	6.9
319.22754	10.6
322.17899	7.7
333.24203	16.9
347.25803	13.2
357.35104	38.3
375.28741	6.8
375.36414	10.6
385.34512	11.5
389.30475	8.4
399.36505	38.2
417.37335	31.9
427.35599	34.3
445.36792	100.0
463.37903	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	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.3
52.26062	1.6
53.03943	6.2
54.06884	1.5
55.01863	5.8
55.05516	29.8
57.03438	8.3
57.07072	3.1
58.06607	1.9
62.88555	1.5
65.03950	5.5
65.72466	1.5
66.46877	1.5
67.05508	80.5
68.79839	1.6
69.03423	1.9
69.07068	23.5
69.97840	4.0
69.98225	3.6
71.04990	4.6
75.06564	1.4
75.41252	1.9
75.99477	1.5
78.70978	1.5
79.05495	60.4
79.70723	1.6
81.03467	1.9
81.07059	72.5
83.04970	5.2
83.08609	13.7
85.06548	4.5
91.05484	77.1
93.07050	60.5
95.04996	8.4
95.08612	51.7
97.02858	2.3
97.06521	9.5
97.10179	6.1
99.08090	2.1
101.06025	2.0
103.05469	4.6
105.07034	79.6
107.04947	4.8
107.08601	29.9
109.06533	9.1
109.10168	14.6
110.33524	1.7
111.08101	3.9
113.06015	1.7
115.05422	4.2
117.07019	37.9
119.04976	1.8
119.08584	49.7
121.06499	7.9
121.10154	20.5
123.08092	5.7
123.11707	2.3
125.09649	2.8
125.83920	1.7
128.06238	3.6
129.07010	20.8
130.07788	1.7
131.08575	59.3
132.05151	1.7
133.06522	3.2
133.10130	27.8
135.08080	6.3
135.11678	8.9
137.05934	2.3
137.09677	2.5
141.07005	9.0
143.08574	24.7
145.06470	2.7
145.09024	3.7
145.10120	35.9
147.08060	8.9
147.11711	10.2
149.09641	9.1
149.13306	3.9
151.03903	1.7
155.08548	10.9
157.10139	14.0
159.08099	2.2
159.11722	14.8
161.09560	1.9
161.13268	3.5
163.11174	1.7
167.08571	4.5
169.10150	10.0
171.11711	11.0
173.13309	5.5
175.11172	1.9
177.09039	1.9
177.96858	1.6
181.10153	6.8
183.11752	7.6
185.13304	6.8
187.11252	2.9
187.14906	4.3
188.40710	1.6
195.11700	3.4
195.13985	1.6
197.13289	6.0
199.14931	4.2
201.12741	1.9
202.47957	1.7
203.14494	1.8
205.16122	2.3
207.11772	2.0
209.13329	6.6
211.14906	4.1
213.16553	2.4
215.14236	2.0
219.13916	2.6
223.14897	4.0
225.16418	3.3
233.15430	6.1
235.16969	2.5
237.16531	2.3
239.18069	2.3
247.16998	7.4
259.17123	2.9
261.18610	4.5
273.18497	3.2
287.05530	15.9
287.19992	2.6
325.25195	9.3
333.54843	1.8
335.23630	14.2
343.26315	20.7
353.24777	40.0
361.27448	3.3
371.25803	58.7
389.26880	89.1
427.28458	4.1
445.29529	27.9
463.19812	3.5
463.30615	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3058
Annotation	Tupichigenin A
Peak:m/z	Relative Intensity
50.39109	0.9
53.03952	3.2
55.01883	2.6
55.05515	16.8
57.03444	6.0
57.07077	1.4
58.06593	1.3
59.04996	1.1
65.03948	3.1
67.05511	40.3
69.03423	2.7
69.07075	18.9
69.65627	6.3
71.04996	2.1
71.08625	1.4
73.06560	1.0
79.05497	37.3
81.03429	1.9
81.07064	43.2
83.04987	3.4
83.08627	8.2
85.02926	1.5
85.06560	3.2
91.05486	50.0
93.07050	38.6
95.04967	5.9
95.08608	27.2
97.06543	5.8
97.10165	3.3
99.08105	3.5
103.05469	2.5
105.04521	1.6
105.07040	45.4
107.04969	4.6
107.08604	22.6
109.06533	5.0
109.10159	10.9
111.08109	3.5
115.05479	3.7
116.06232	1.2
117.07029	24.0
119.04949	2.0
119.08586	29.0
121.06536	5.8
121.10145	14.6
123.08104	4.3
123.11725	3.3
125.09682	1.1
128.06241	4.5
129.07007	16.4
130.07793	1.9
131.08583	34.2
133.06519	2.2
133.10144	18.0
135.08115	2.9
135.11670	6.6
137.06023	1.8
137.09607	3.7
141.07011	5.1
142.07834	1.9
143.08575	17.5
145.06479	2.7
145.10127	22.0
147.08121	3.9
147.11743	5.5
149.09657	4.7
149.13290	4.3
151.11119	1.7
155.08553	7.7
157.10147	9.8
159.08055	1.9
159.11693	10.7
161.09602	1.7
161.13274	2.3
163.11171	2.1
167.08609	2.5
169.10089	6.8
171.08083	1.4
171.11726	9.1
173.09705	1.5
173.13176	2.3
177.12805	1.9
179.08527	1.3
179.14359	1.8
181.10187	4.6
183.11705	5.5
184.07317	1.3
185.13319	4.2
187.11206	2.2
187.14859	3.6
189.12793	1.2
195.11755	4.4
195.13750	2.0
197.13348	3.3
199.14871	4.7
209.13400	2.7
211.14854	3.4
213.12788	1.7
213.16286	1.4
219.17455	1.4
221.13382	1.2
223.14877	2.2
225.16406	1.3
227.14580	1.3
233.15503	3.3
235.17033	1.5
237.16426	1.6
243.17336	1.1
247.17035	2.9
251.48839	1.2
255.17581	1.5
259.16962	2.1
261.18640	1.3
271.16928	1.3
273.18539	1.9
275.20352	1.2
287.05530	16.5
287.20248	1.4
313.07263	1.5
325.21826	1.2
325.25327	5.6
335.23770	6.4
336.20438	1.1
343.26373	12.9
351.25449	2.3
352.30487	1.2
353.24817	27.3
353.29028	2.1
371.25797	37.1
389.26944	37.4
427.28644	4.3
445.29520	100.0
446.16013	1.2
446.29874	3.0
463.18860	3.0
463.30640	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03952	4.5
55.01863	2.8
55.05516	15.6
56.96555	1.3
57.03437	6.3
57.07064	2.2
58.06599	0.9
59.05024	0.8
61.02919	1.6
65.03934	2.5
67.05509	68.1
69.03403	1.2
69.07075	23.6
71.04996	4.8
71.08615	1.1
71.56029	1.1
79.05497	43.5
81.03446	3.8
81.07063	84.2
82.17808	0.8
83.04989	7.0
83.08144	1.0
83.08627	16.7
85.02888	1.4
85.06556	3.5
91.05489	29.8
93.07050	61.0
95.04969	5.8
95.08610	24.5
97.06545	11.1
97.10171	2.0
98.97605	1.2
99.08099	2.9
105.04511	1.2
105.07040	15.3
107.04964	1.5
107.08605	32.9
109.06506	2.9
109.10165	5.1
111.08072	6.7
113.09667	0.7
117.07039	10.7
119.06046	0.7
119.08595	8.0
121.06525	3.5
121.10159	18.8
123.08131	1.3
123.11752	4.0
125.09618	1.0
128.06194	0.9
129.07005	2.6
131.08578	14.3
133.06479	1.1
133.10138	13.2
135.08061	2.4
135.11703	10.9
137.05920	1.0
139.11203	1.5
143.08566	2.5
145.10135	3.1
147.11703	2.7
149.09679	1.4
149.13268	32.2
151.11140	1.4
153.09094	0.9
155.08591	1.8
157.10117	2.2
159.11705	16.3
159.30820	0.7
161.13261	0.8
167.14343	1.4
168.19684	0.9
169.10152	1.6
171.11778	1.7
173.13300	1.3
177.12729	7.0
181.10083	1.2
181.12331	0.7
183.11774	1.2
185.13219	1.0
195.11967	1.5
195.13803	20.9
197.13252	0.7
213.14900	3.1
229.07458	1.0
233.15440	1.0
239.59236	0.7
251.16518	1.7
259.16324	0.7
287.05524	11.0
335.23370	1.0
339.91293	0.7
343.26370	2.2
353.24838	3.2
364.41376	1.0
371.25714	4.1
389.27048	5.1
406.59189	0.8
445.29599	11.5
463.19138	3.8
463.30591	100.0
464.30856	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	463.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.01867	4.5
55.05260	2.9
55.05513	27.8
57.03428	7.9
57.07064	3.9
58.22532	1.8
65.03938	2.4
65.06134	1.7
67.05511	62.0
69.03410	2.8
69.07077	25.9
69.84379	10.5
71.04991	5.2
79.05498	54.1
81.03410	2.8
81.07061	63.6
83.04985	7.4
83.08630	12.4
85.02888	2.3
85.06548	4.7
90.70778	1.6
91.03984	2.1
91.05486	72.2
92.05843	3.5
93.07046	55.9
95.04982	10.8
95.08610	43.5
97.02952	2.2
97.06531	7.3
97.10175	5.4
98.20684	2.0
99.08068	2.4
103.05468	4.6
105.07033	67.6
107.04964	4.6
107.08596	30.9
109.06530	8.4
109.10178	12.1
111.08104	3.3
115.05473	3.9
117.07033	28.9
119.04990	2.1
119.08588	37.1
121.06510	9.4
121.10159	20.6
123.08048	5.3
123.11707	3.3
128.06239	5.5
129.07027	24.5
131.07590	2.8
131.08577	53.2
132.08980	2.0
133.06479	3.9
133.10130	25.1
135.08047	6.7
135.11726	7.5
137.05963	3.3
137.09631	4.3
141.07019	8.6
142.07774	4.4
143.08568	25.5
145.06523	5.3
145.10127	30.3
147.08099	5.8
147.11693	7.2
149.09650	5.3
149.13290	4.7
151.03957	3.1
151.11136	2.6
155.08569	13.9
157.10153	14.6
159.11702	15.4
161.09654	5.0
161.13332	4.7
167.08546	3.8
169.10147	11.9
171.11697	10.1
171.17810	1.9
173.09579	2.6
173.13304	5.8
175.11263	4.0
177.12808	2.7
181.10114	5.2
183.11761	10.9
184.07404	2.7
185.13293	7.9
187.11230	2.8
187.14865	3.8
195.11757	5.6
197.13281	8.0
199.14870	4.7
201.12813	2.2
205.83925	2.0
209.13338	3.0
209.56766	2.0
211.14827	3.7
215.14462	2.8
223.14957	3.5
225.16479	3.6
227.14375	3.5
233.15402	4.4
237.16603	2.3
241.15987	2.3
247.17029	6.4
259.16852	2.2
269.10654	2.1
273.18549	4.4
287.05484	17.4
313.06848	2.3
325.25412	7.6
335.23734	8.8
343.26361	18.8
353.24765	37.1
371.25812	58.6
389.26877	60.0
427.28513	4.6
445.29474	100.0
463.18808	6.0
463.30615	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01871	2.5
55.05513	20.1
57.03442	7.4
57.07071	9.4
58.23142	2.0
59.04986	6.1
65.03950	3.9
67.05513	55.9
69.07065	21.3
71.05000	4.7
71.08644	12.9
73.14871	1.8
79.05498	42.4
80.09775	1.8
80.99088	2.2
81.07059	53.9
83.04997	3.4
83.08624	6.9
85.06554	3.2
85.10194	4.7
89.06028	12.4
91.05486	61.2
93.07044	42.9
95.04964	7.9
95.08614	34.2
97.06467	3.9
97.10166	3.8
103.05496	3.0
105.04494	2.6
105.07033	63.4
107.04958	7.6
107.08607	24.3
107.83115	2.3
109.06525	8.0
109.10191	10.6
111.08104	3.4
115.05480	4.2
116.06197	2.3
117.07029	28.3
119.08589	36.7
121.06491	5.7
121.10155	18.7
123.08102	4.5
128.06235	4.6
129.07019	22.4
130.07813	2.8
131.08578	52.3
133.06483	4.8
133.08618	9.8
133.10144	20.1
135.08014	4.0
135.11716	6.8
137.09721	2.7
141.07010	7.7
142.07742	3.1
143.08583	21.4
145.06474	5.2
145.10135	34.9
147.08051	7.9
147.11705	7.3
149.09660	4.7
149.13232	2.3
149.40021	1.9
151.74931	1.9
155.08603	10.6
155.09764	2.8
157.10101	12.4
159.08144	2.3
159.11710	14.0
161.09532	3.1
161.13287	4.6
167.08574	5.8
169.10088	11.4
171.11769	10.8
173.13258	5.5
175.11194	2.3
177.11244	4.4
181.10126	5.4
183.11681	5.8
185.13293	6.2
187.11151	5.0
187.14830	4.3
189.12700	2.7
195.11789	4.3
197.13290	8.5
199.14841	3.0
207.11909	2.4
209.13239	4.4
211.14853	5.4
213.12791	2.5
213.16386	3.4
219.13841	1.9
223.14844	4.8
233.15460	3.3
237.16458	2.5
245.15466	2.9
247.16911	3.1
255.17494	2.8
259.17001	3.9
261.18658	2.4
271.16992	2.0
273.18451	3.6
287.05594	8.8
287.20303	3.0
298.19489	2.3
325.25217	8.2
335.23495	9.5
343.26328	15.5
353.24768	39.8
363.76361	1.9
371.25824	47.6
389.26874	47.6
406.72382	2.1
427.28305	4.6
445.29532	100.0
447.04810	1.9
463.30585	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	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01871	2.5
55.05513	20.1
57.03442	7.4
57.07071	9.4
58.23142	2.0
59.04986	6.1
65.03950	3.9
67.05513	55.9
69.07065	21.3
71.05000	4.7
71.08644	12.9
73.14871	1.8
79.05498	42.4
80.09775	1.8
80.99088	2.2
81.07059	53.9
83.04997	3.4
83.08624	6.9
85.06554	3.2
85.10194	4.7
89.06028	12.4
91.05486	61.2
93.07044	42.9
95.04964	7.9
95.08614	34.2
97.06467	3.9
97.10166	3.8
103.05496	3.0
105.04494	2.6
105.07033	63.4
107.04958	7.6
107.08607	24.3
107.83115	2.3
109.06525	8.0
109.10191	10.6
111.08104	3.4
115.05480	4.2
116.06197	2.3
117.07029	28.3
119.08589	36.7
121.06491	5.7
121.10155	18.7
123.08102	4.5
128.06235	4.6
129.07019	22.4
130.07813	2.8
131.08578	52.3
133.06483	4.8
133.08618	9.8
133.10144	20.1
135.08014	4.0
135.11716	6.8
137.09721	2.7
141.07010	7.7
142.07742	3.1
143.08583	21.4
145.06474	5.2
145.10135	34.9
147.08051	7.9
147.11705	7.3
149.09660	4.7
149.13232	2.3
149.40021	1.9
151.74931	1.9
155.08603	10.6
155.09764	2.8
157.10101	12.4
159.08144	2.3
159.11710	14.0
161.09532	3.1
161.13287	4.6
167.08574	5.8
169.10088	11.4
171.11769	10.8
173.13258	5.5
175.11194	2.3
177.11244	4.4
181.10126	5.4
183.11681	5.8
185.13293	6.2
187.11151	5.0
187.14830	4.3
189.12700	2.7
195.11789	4.3
197.13290	8.5
199.14841	3.0
207.11909	2.4
209.13239	4.4
211.14853	5.4
213.12791	2.5
213.16386	3.4
219.13841	1.9
223.14844	4.8
233.15460	3.3
237.16458	2.5
245.15466	2.9
247.16911	3.1
255.17494	2.8
259.17001	3.9
261.18658	2.4
271.16992	2.0
273.18451	3.6
287.05594	8.8
287.20303	3.0
298.19489	2.3
325.25217	8.2
335.23495	9.5
343.26328	15.5
353.24768	39.8
363.76361	1.9
371.25824	47.6
389.26874	47.6
406.72382	2.1
427.28305	4.6
445.29532	100.0
447.04810	1.9
463.30585	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	463.3056
Annotation	3-Dehydroecdysone
Peak:m/z	Relative Intensity
51.02386	0.8
53.03942	3.2
54.29060	0.9
55.01867	2.7
55.05513	15.9
56.36627	0.8
57.03440	5.5
57.07085	1.0
60.08173	1.7
62.56363	1.1
63.18359	0.8
65.03934	3.3
67.05508	45.1
68.88989	1.1
69.06721	1.3
69.07070	15.6
70.02035	3.4
71.04979	2.7
71.07365	1.2
79.05500	35.9
79.05965	1.7
81.01724	0.8
81.07062	46.3
83.04998	2.7
83.08611	7.3
85.06552	2.7
86.09704	6.3
91.05484	54.7
93.07049	36.1
95.04985	6.8
95.08615	27.9
97.06548	4.4
97.10156	3.5
99.04462	1.3
99.08102	1.2
103.05453	1.8
105.04555	1.0
105.07035	42.7
107.04963	3.2
107.08599	20.5
109.06548	4.3
109.10172	9.2
111.08079	1.5
115.05494	2.4
117.07021	22.6
119.04960	1.6
119.08590	29.0
121.06512	6.7
121.10155	12.3
123.04453	1.1
123.08085	4.7
125.00005	4.3
125.09654	1.1
128.06229	3.2
129.07030	14.7
130.07808	1.1
131.08577	37.8
133.06511	3.4
133.10147	20.0
135.08076	3.8
135.11694	6.1
137.05977	2.7
137.09654	2.1
139.11198	1.4
141.06967	5.5
142.07748	1.2
143.08566	15.6
145.06517	2.8
145.10132	21.9
147.08072	4.4
147.11700	5.4
149.09656	4.6
149.13239	3.4
151.11223	2.0
155.08575	8.0
157.06432	1.2
157.10117	9.1
159.08116	1.5
159.11693	8.9
161.09633	3.5
161.13315	2.5
163.11229	1.5
167.08638	3.6
169.10138	7.9
171.08083	1.4
171.11665	8.0
173.09685	1.2
173.13261	4.8
175.11154	1.5
175.14838	1.4
181.10138	4.0
183.11681	5.9
184.07361	18.4
185.13281	5.0
187.11166	1.7
187.14847	3.6
189.12790	1.1
195.11691	3.2
195.13652	1.2
197.13307	4.1
199.11136	1.1
199.14937	3.0
201.16374	1.8
209.13310	3.3
211.14870	4.7
213.12791	1.8
213.16512	1.7
215.14449	1.8
217.15889	1.8
219.17514	1.2
221.13310	1.2
221.15291	1.3
223.14832	2.4
225.16393	2.7
227.14421	2.2
229.15999	0.9
233.15390	1.7
241.15855	1.4
245.15219	2.0
247.17033	2.8
249.56789	0.9
255.17436	1.6
257.19110	1.1
259.17017	2.0
261.18561	2.9
271.16769	1.4
272.20224	3.9
273.18454	2.0
273.77124	0.9
287.05579	4.3
325.25232	4.9
330.24567	1.0
335.23682	5.9
343.26306	9.4
353.20462	1.4
353.24771	26.1
371.25848	38.1
389.26859	37.9
409.27704	1.0
417.30035	1.3
427.28439	3.4
435.31039	1.1
445.29529	100.0
446.30341	2.2
449.51932	1.0
463.30569	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	463.3035
Annotation	Ranmogenin A
Peak:m/z	Relative Intensity
50.49290	1.1
55.05508	2.2
56.48927	1.0
56.96566	2.3
58.06618	1.1
61.01373	1.1
61.02932	1.4
67.05534	5.3
69.07074	2.7
73.09069	1.1
79.05487	4.0
81.03376	1.5
81.07056	7.1
86.32111	1.1
91.03958	1.2
91.05489	2.6
93.07049	4.5
95.08617	4.1
97.02912	1.5
98.97618	1.4
101.98094	1.1
105.07043	3.1
107.08612	2.8
109.06493	1.3
109.10119	1.6
113.00074	1.7
119.08611	1.6
121.10217	1.2
131.08522	1.3
135.58630	1.0
151.03922	3.1
184.07373	2.9
195.13702	1.4
199.38684	1.3
228.96666	1.4
243.09093	1.9
267.08896	1.7
281.71072	1.3
285.10101	1.5
287.05548	13.3
317.18140	1.9
320.18713	1.2
329.46216	1.1
335.25867	2.9
349.15985	2.3
445.29309	48.5
445.35535	2.5
446.29477	1.3
454.22003	2.3
463.30359	100.0
464.30875	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	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88856	1.2
51.49141	1.3
53.03947	4.6
55.01875	3.9
55.05265	1.6
55.05516	24.6
57.03437	8.7
57.07072	1.7
57.90641	1.2
58.02634	1.2
59.05005	1.4
65.03948	3.4
67.05511	57.3
68.70705	1.2
69.07067	20.6
69.48930	7.9
71.04992	4.0
77.03949	2.2
79.05499	45.7
81.07065	56.7
82.56865	1.2
83.04982	4.6
83.08620	10.1
85.02922	1.3
85.06554	4.0
91.05486	65.6
93.07055	40.8
95.04981	4.7
95.08611	35.9
97.06537	6.5
97.10172	5.5
103.05433	1.9
105.07037	62.7
107.04982	4.5
107.08600	24.3
108.39123	1.2
109.06522	4.7
109.10159	11.5
111.08082	1.9
115.05486	4.6
117.07027	31.3
119.08588	38.0
121.06533	5.5
121.10167	19.4
123.08057	2.2
123.11708	2.8
125.09601	2.1
126.39954	1.5
128.06219	4.8
129.07005	18.9
131.08586	53.0
133.06548	3.7
133.10139	24.5
135.08095	5.8
135.11732	8.0
137.06027	1.1
137.09639	3.6
141.06998	8.8
142.07886	1.5
143.08559	22.9
145.06508	4.9
145.10138	34.8
145.11288	2.0
147.08061	5.3
147.11703	9.0
149.09619	3.0
149.13272	1.6
151.11214	1.4
155.08583	11.9
156.09360	1.8
157.10112	16.4
159.08051	3.0
159.11661	12.2
161.09608	2.5
161.13274	4.3
163.11198	1.7
167.08617	3.8
169.10115	10.2
171.08165	1.8
171.11681	11.1
173.09587	2.9
173.13196	7.0
175.11186	1.7
177.05562	1.9
177.12804	1.9
181.10135	4.8
183.11635	6.0
184.07408	3.4
185.13283	6.1
187.11212	2.3
187.14853	3.4
191.14339	1.4
195.11742	5.4
195.13670	1.4
197.13254	7.2
199.11252	1.9
199.14941	3.6
201.12738	2.6
205.15877	1.7
209.13339	3.8
211.14920	5.4
213.12704	2.5
215.14401	1.6
221.13409	1.6
223.12924	1.3
223.14899	3.6
225.16429	3.0
227.14453	2.3
229.15840	1.5
233.15378	4.1
241.15871	2.9
243.17723	1.6
245.15385	1.7
247.16998	5.1
255.17586	3.2
259.16949	2.3
260.10361	1.3
261.18552	3.5
263.59262	1.3
272.20142	1.9
273.18549	4.3
275.20032	2.2
287.05551	3.4
287.20053	1.9
325.25174	8.3
329.25156	1.8
335.23621	11.0
343.26306	18.7
353.24805	41.0
361.27533	3.1
371.25830	55.1
389.21866	3.2
389.26868	59.2
417.30258	1.8
427.28360	5.2
445.29535	100.0
446.29718	1.6
463.30585	76.4
472.70578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.187
Annotation	CAY10593
Peak:m/z	Relative Intensity
56.05033	0.6
56.96567	0.3
58.06604	48.9
67.92448	0.2
69.03430	0.4
70.06618	1.2
70.23670	0.9
70.24038	0.5
82.84266	0.2
84.08158	0.4
85.02918	0.5
86.47800	0.3
89.06035	0.6
89.12793	0.2
89.13441	0.2
91.05469	0.5
98.21540	0.3
98.97613	0.5
107.04979	0.3
114.30269	0.2
121.06560	0.3
127.03951	0.4
129.10229	0.3
131.04980	0.3
133.08659	0.3
137.06021	0.9
143.04860	0.2
146.05995	0.4
147.04530	0.3
149.06004	0.7
160.07687	0.2
161.08368	0.4
164.07085	4.2
165.07449	1.8
167.03305	0.2
167.07216	0.3
174.09132	0.8
175.09987	0.3
176.10698	1.5
192.08807	0.3
220.08369	0.5
225.11142	0.3
233.02371	0.2
237.11041	0.5
244.16457	0.3
252.10429	0.3
253.10982	1.0
254.11243	1.7
263.07074	0.4
268.13364	2.1
269.10760	0.4
269.13660	6.2
283.17508	0.7
284.17850	0.8
287.05417	1.4
291.10229	0.4
300.12228	1.3
301.07309	0.5
301.09070	0.3
301.12625	2.7
303.10107	0.4
305.07935	0.4
315.10312	0.4
319.09674	0.7
321.07605	0.3
329.08005	0.5
330.08621	0.3
331.09601	1.2
333.11359	0.3
343.09531	0.5
345.11301	0.6
347.09171	0.3
348.12183	0.5
349.07278	0.5
358.12976	0.3
360.12183	0.3
371.09079	0.3
372.12390	0.8
374.13785	0.5
375.08691	0.6
377.09979	0.3
389.10522	0.4
392.15125	0.5
400.11829	1.3
402.13553	1.2
417.18112	0.5
418.12735	0.7
420.14523	2.7
430.14948	0.4
431.18915	0.8
434.16037	0.5
445.17676	3.9
446.17804	0.3
449.76428	0.3
463.18576	100.0
464.18903	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	463.1238
Annotation	5,2',6'-Trihydroxy-7-methoxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
57.69844	0.1
57.93690	0.1
69.03436	0.2
71.04998	0.2
81.07063	0.2
85.02901	0.2
85.06490	0.1
91.05494	0.2
92.93201	0.1
95.08603	0.2
95.76113	0.1
97.02868	0.2
98.21499	0.3
109.02834	0.2
121.02870	0.8
121.10197	0.2
137.05986	0.3
149.21878	0.1
153.01863	0.3
191.03360	0.2
203.03401	0.3
219.02875	0.4
229.04933	0.3
229.13268	0.1
257.04318	0.1
258.05264	14.2
277.25876	0.2
286.04736	34.2
287.05273	1.0
298.04794	0.3
299.05579	0.2
301.07074	100.0
302.07404	1.6
309.07501	0.4
310.83588	0.1
313.07077	1.2
314.07794	0.2
321.07639	0.7
335.05417	0.4
337.07120	0.9
343.08148	1.0
349.07053	0.5
353.10306	0.2
365.06464	0.4
367.08115	0.6
379.08118	0.2
397.09283	0.4
409.08939	0.2
409.29532	0.1
427.10266	0.3
435.10666	0.3
445.11267	0.3
463.10388	4.1
463.18301	0.4
463.24765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	Swertiajaponin
Peak:m/z	Relative Intensity
50.94953	1.0
57.03445	1.4
81.03465	1.2
82.24399	1.0
84.61861	1.1
85.02937	1.8
87.62162	1.0
98.21515	2.8
105.03400	1.1
108.60548	1.0
109.02866	1.8
121.02753	1.6
149.05997	1.6
150.27463	1.1
151.03914	3.3
157.74677	1.2
165.01854	9.9
167.03429	2.5
175.03900	2.5
183.02875	1.7
195.02945	1.3
243.06696	1.8
257.04605	1.4
268.07281	1.3
270.05240	2.1
271.06097	2.4
282.05136	6.5
285.07581	1.3
286.04684	1.6
296.06860	6.7
297.07556	3.6
298.04718	19.5
300.06131	5.8
301.07120	6.2
309.07483	1.6
310.04672	5.2
310.08417	4.0
311.09097	4.4
312.06281	1.5
313.07074	100.0
314.07776	6.9
320.06851	1.5
324.06348	12.7
325.07092	6.9
325.10452	1.7
327.08640	3.2
328.05804	15.1
335.09427	1.9
336.06387	2.0
337.07123	2.5
338.07910	7.0
339.04913	2.7
339.08643	19.5
343.08148	76.7
348.06375	2.2
351.08597	1.8
352.05753	2.4
353.10217	13.8
363.08624	4.7
364.05576	2.6
366.07516	1.4
367.08133	50.7
376.05490	2.4
379.08179	14.2
381.09778	2.7
391.08081	8.3
394.06985	3.4
397.09219	35.2
409.09219	24.1
416.46759	1.2
427.10278	32.1
445.11343	24.2
463.12283	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	462.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66011	1.0
53.03962	1.3
55.05516	10.3
57.07089	5.4
67.05516	16.2
69.07071	17.2
70.04082	2.6
70.04491	2.0
71.05000	12.8
71.08634	2.3
79.05505	7.9
81.07062	34.7
83.05008	1.3
83.08617	11.0
85.06544	12.4
89.32610	0.9
90.49265	0.9
91.05474	5.7
93.07050	25.0
95.08609	70.2
97.06520	3.8
97.10175	5.4
98.21414	1.5
99.04456	3.8
99.08114	2.2
99.79047	1.2
101.06013	1.6
103.49841	1.0
105.07039	18.4
107.08602	42.8
109.06531	2.1
109.10161	45.0
111.08103	3.1
111.11763	2.4
113.09642	11.7
115.07574	2.5
119.08588	25.9
121.10147	31.9
123.08104	2.0
123.11715	20.3
125.09665	2.0
127.07572	2.3
129.09203	1.4
131.08578	3.5
133.10144	34.5
135.08051	1.9
135.11707	20.9
137.09598	3.9
137.13255	10.1
139.11191	1.9
145.10141	11.2
147.11699	28.2
149.09657	2.5
149.13266	20.6
151.11223	5.1
151.14839	2.1
153.09143	1.2
157.10107	1.4
159.11699	9.1
161.13261	17.4
163.11177	3.7
163.14838	14.7
165.12721	2.1
165.16374	1.9
167.10742	4.0
173.13268	9.2
175.14833	16.0
177.12842	2.1
177.16388	10.3
179.14320	1.3
181.12239	5.8
185.13243	1.5
187.14825	11.5
189.16396	25.0
191.14337	2.5
191.17921	5.5
193.15869	4.2
195.13812	3.8
196.57436	1.1
199.14861	2.5
201.16351	7.9
203.14296	1.2
203.17957	15.0
205.15895	3.8
205.19516	1.6
207.17456	10.2
215.17982	5.5
217.19576	5.3
219.17471	3.8
221.19005	7.9
223.16942	3.2
229.19640	2.8
231.21156	2.7
233.18996	2.4
235.20590	1.4
237.18462	5.4
241.19443	1.6
243.21004	1.3
245.22641	2.3
247.24309	1.5
251.20142	2.6
257.22595	2.7
263.19955	1.6
263.24017	1.6
271.24207	2.9
272.96567	1.2
277.21881	1.2
289.25275	2.5
290.00122	1.2
299.89728	1.1
303.73010	1.1
321.24695	1.2
391.33633	3.9
409.34671	42.7
409.40195	2.2
427.35748	71.0
428.36124	2.1
445.36813	100.0
446.36755	1.6
462.26541	3.8
462.39474	27.5
463.37955	4.6
486.39328	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	Setaricin
Peak:m/z	Relative Intensity
54.96156	0.9
56.58841	0.8
57.03443	1.0
61.02932	0.9
65.06932	0.8
69.18816	5.2
69.19244	3.8
74.28363	0.7
79.01844	0.8
85.02905	2.1
85.83425	0.9
88.95029	0.8
96.32880	0.8
113.71601	0.8
121.02885	1.4
124.03916	1.7
125.95762	1.0
137.02306	1.6
149.05986	2.3
151.03911	5.4
151.04955	0.9
165.01855	8.1
167.03320	1.1
173.67810	0.8
175.03935	2.0
177.01813	2.0
185.63472	0.8
195.02876	1.1
217.04947	0.8
229.04817	0.8
233.04482	1.0
243.02914	1.5
243.06396	1.2
257.04254	1.0
268.07886	1.6
270.05243	4.0
271.06024	2.2
282.05328	4.0
285.07657	1.7
286.04791	2.0
286.08212	1.3
296.06827	8.1
297.07501	3.1
298.04739	21.4
298.08130	1.1
299.05356	2.2
300.06311	6.3
301.07141	4.5
308.06836	1.0
309.07465	1.1
310.04645	4.1
310.08267	3.4
311.05612	1.6
311.09085	4.4
312.06174	3.7
313.07059	100.0
314.07819	7.8
320.06906	1.7
323.05521	1.0
324.06232	10.4
325.07181	7.9
325.10654	1.8
327.08524	4.1
328.05804	14.3
330.11517	0.8
335.09079	1.3
336.06287	2.4
337.07043	2.2
338.07870	7.5
339.04904	1.3
339.08600	15.3
341.06564	1.6
343.08130	82.6
344.08307	0.9
348.06216	1.3
351.08389	1.7
352.05692	1.3
353.06494	0.8
353.10214	16.7
355.07919	1.5
363.08472	1.6
364.05600	2.1
366.07211	1.6
367.08154	41.7
373.09326	1.6
376.05643	1.8
379.08124	10.5
381.09586	3.8
383.88132	0.9
391.08121	7.7
394.06631	1.6
397.09222	29.1
409.09216	18.5
427.10266	29.9
428.48444	1.0
445.11285	23.9
446.11414	1.2
463.06119	1.5
463.12372	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	462.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	1.6
61.02943	0.5
63.66153	0.5
69.03434	1.3
69.85946	2.4
69.86337	1.0
70.06594	0.6
81.03429	0.8
84.04517	0.7
85.02916	3.6
86.71744	0.6
87.04472	1.2
89.06034	74.0
97.02888	1.3
98.20667	0.6
107.07059	1.3
133.08609	34.6
136.15144	0.6
151.09563	0.7
164.07082	1.3
177.11234	12.1
195.12325	2.5
221.13914	1.3
239.14978	1.7
253.10973	0.9
268.13385	2.1
283.17520	100.0
284.17789	0.8
300.12393	2.0
317.06146	0.6
426.09036	0.8
462.17212	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	462.2125
Annotation	Glucoerysodine
Peak:m/z	Relative Intensity
50.38486	0.3
56.29451	0.3
60.42236	0.3
69.03402	0.4
70.83861	0.8
73.88873	0.3
78.41856	0.3
85.02890	0.7
91.05440	0.7
97.02882	0.5
107.04967	0.4
121.63945	0.3
129.09096	0.3
151.07588	0.7
159.62442	0.3
169.17004	0.3
175.00908	0.3
179.08534	0.8
181.06433	0.4
190.07777	0.7
191.08560	6.1
193.08882	0.9
196.11221	0.8
197.11972	0.4
206.09538	0.5
207.08078	1.2
208.08916	0.8
208.11194	3.3
210.09084	1.6
213.07933	0.4
215.09459	0.3
218.07277	0.6
219.08049	6.6
220.08923	0.6
222.09128	0.8
224.07202	1.7
224.10693	4.6
225.11462	5.5
229.07571	0.4
235.07513	0.3
236.08310	3.0
236.10709	7.5
237.09174	0.4
237.11462	0.8
238.08641	6.3
239.09311	1.5
251.10965	4.9
252.10249	4.6
253.10988	23.9
266.11761	2.7
268.13330	100.0
269.13693	1.0
300.12637	0.5
300.16025	1.3
342.67456	0.3
348.88712	0.3
379.21301	0.3
430.18628	9.3
438.15768	0.3
462.21304	29.9
463.21671	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1762
Annotation	Cephalezomine J
Peak:m/z	Relative Intensity
58.06641	2.2
69.03455	1.0
69.61611	1.0
69.61914	3.5
70.06647	0.7
85.02966	2.2
88.04032	0.6
89.06084	0.8
97.02884	0.6
102.23426	0.5
105.07053	0.6
116.69777	0.5
123.04509	2.1
127.04018	1.2
133.68253	0.5
137.06041	1.7
137.47028	0.6
138.05533	1.0
141.36594	0.5
145.04866	0.6
147.04457	0.6
151.07588	1.2
152.07129	1.6
152.83316	0.5
162.05507	1.1
163.06317	0.6
164.07063	5.9
176.07144	1.4
191.08679	2.0
208.11263	1.2
219.08144	2.9
222.09070	0.6
222.11017	0.7
223.12238	0.9
224.07199	1.0
224.10754	1.5
224.12607	1.1
225.11519	2.0
236.08542	1.0
236.10785	3.5
238.08727	1.7
239.09398	0.7
251.10706	1.7
252.10236	1.9
253.11044	9.2
254.11989	1.5
266.11819	0.7
268.13358	36.8
282.11295	2.4
284.09192	34.6
285.09988	40.1
300.12317	100.0
301.12607	1.5
359.02771	0.7
373.09891	0.7
430.18634	3.3
462.17392	90.8
463.17712	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
53.03941	3.2
55.01863	2.7
55.05510	1.3
57.03421	2.1
58.06583	0.6
61.02916	0.9
65.03923	0.9
69.03432	13.9
70.47190	1.6
70.47585	1.6
71.04981	2.2
71.93772	0.6
73.02905	1.1
74.46545	0.6
78.03459	16.3
80.05034	1.4
80.14996	0.7
80.53238	0.8
81.03419	21.3
85.02904	23.0
87.00835	5.7
87.04454	0.8
89.03922	7.0
91.05466	4.6
93.03410	1.8
93.07008	0.8
95.04971	1.8
96.04504	2.9
97.02892	7.1
99.04472	4.1
100.11255	1.7
105.01869	5.0
105.07015	0.9
106.02917	56.0
107.05000	1.2
109.02881	16.2
111.04442	2.9
114.40676	0.9
117.03384	19.6
119.04941	2.8
121.06558	1.0
124.03957	100.0
125.05988	5.0
127.03928	13.2
134.03613	0.8
135.04396	1.1
137.05989	1.8
145.02856	43.6
145.04959	3.8
148.08876	1.1
149.05966	7.6
151.07549	41.0
153.05478	11.4
159.02954	1.5
162.03160	1.7
163.03918	1.3
164.69820	0.8
165.09160	2.5
166.05011	1.1
176.28929	0.7
177.05469	63.6
179.10681	11.0
179.58667	0.7
186.05486	1.3
188.08386	0.7
195.06552	9.5
196.06096	1.1
197.11743	15.1
203.03494	1.0
208.06061	0.8
210.15099	0.8
221.11821	0.9
231.04961	2.1
232.06113	1.2
250.07103	24.7
268.08160	63.4
287.12659	4.4
298.81290	0.9
305.13858	3.5
313.07114	1.8
343.08096	1.9
389.81549	1.2
391.13852	0.8
444.12924	7.2
445.08591	0.9
453.34396	1.4
462.08249	0.9
462.14081	10.9
462.28687	1.1
463.10175	2.6
464.07190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.0
51.15044	1.6
51.40918	1.3
53.03947	7.6
55.01883	9.6
55.05262	2.2
55.05513	34.3
56.31372	1.3
56.96563	2.5
57.03441	13.5
57.07056	1.9
59.04982	1.7
65.03931	6.3
65.69839	1.5
67.05508	74.3
69.03421	4.0
69.07075	25.0
69.51842	2.7
69.52261	7.9
71.04980	4.4
73.02932	1.5
73.06557	1.6
79.05497	62.4
80.85636	1.3
81.03409	3.7
81.07062	62.3
83.04976	6.6
83.08225	1.7
83.08631	17.9
85.02892	3.1
85.06531	5.6
86.09662	1.9
89.05998	1.8
91.05486	84.6
93.06474	3.0
93.07044	56.4
95.04984	11.0
95.08610	39.7
97.06535	9.1
97.10166	6.2
99.08073	2.7
103.05465	4.0
105.04504	3.2
105.07035	60.1
107.04964	12.9
107.08591	24.6
109.06516	7.7
109.10157	16.7
111.08079	4.6
115.05460	11.7
116.06213	2.5
117.07021	48.1
117.07854	2.8
119.04936	3.9
119.08585	41.0
121.06499	11.1
121.10146	14.6
123.08075	6.5
125.09607	4.5
127.07561	1.4
128.06224	12.7
129.05551	1.9
129.07013	48.6
130.07787	3.2
131.04951	4.0
131.08575	60.9
133.06493	13.9
133.08600	2.1
133.10136	22.3
135.08069	8.1
135.11707	7.9
137.09630	5.0
141.06996	19.5
142.07794	6.2
143.08554	46.0
144.09303	3.4
145.06490	13.8
145.10126	31.5
147.08058	10.6
147.11726	8.3
149.09601	9.9
149.13281	2.6
151.07465	2.1
151.11208	2.3
153.07016	4.0
154.07729	3.7
155.06021	1.6
155.08560	32.4
156.09322	3.2
157.06509	3.6
157.10135	25.9
159.08121	7.3
159.11708	11.3
161.09659	7.4
161.13268	2.3
163.11157	3.3
165.06981	3.3
166.07732	1.7
167.08586	12.3
168.09326	2.6
169.10110	21.9
171.08049	5.5
171.11705	17.5
173.09694	5.5
173.13240	5.8
175.11209	5.0
175.14877	2.2
177.12755	3.3
178.07922	1.7
179.08553	5.7
180.09300	1.6
181.10135	12.5
183.08064	2.1
183.11690	11.9
185.09651	4.4
185.13304	10.7
187.11221	3.3
187.14845	5.2
189.11203	2.1
189.12743	3.4
193.10130	5.0
195.11766	13.0
197.09581	2.4
197.13191	8.6
199.11273	3.4
199.14841	4.4
201.12715	3.0
203.10608	1.8
203.12532	1.9
203.14334	2.0
207.11713	4.5
209.13319	10.9
211.11205	3.4
211.14749	7.7
213.12775	9.6
213.16466	1.8
215.14311	7.8
217.15910	2.8
219.11781	1.7
221.13239	8.0
223.14877	9.9
225.12767	6.0
225.16370	2.4
226.38664	1.7
227.14349	3.9
231.13753	2.6
231.17487	3.3
233.13277	2.5
233.15425	2.5
235.14807	5.2
235.16978	2.3
237.16409	2.3
239.14333	8.0
239.18057	2.6
241.15877	2.0
243.13785	2.9
243.17474	2.4
245.15318	4.5
247.14777	2.1
247.17020	1.5
249.16437	2.4
253.15913	4.2
255.17389	2.2
257.15433	7.0
259.17014	5.5
267.17480	2.3
269.05591	1.5
271.16989	9.6
273.18478	2.1
275.20169	2.4
285.18457	2.1
315.21164	2.6
323.23785	8.6
333.22137	12.2
341.24725	18.6
351.23169	44.3
359.26035	2.7
369.24237	71.2
387.25284	48.6
387.30011	3.2
405.26541	2.5
415.28482	2.6
425.26859	6.4
443.11462	2.0
443.27948	62.7
461.29010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01873	8.7
55.05515	34.1
55.35512	2.7
57.03439	12.5
59.55750	2.8
65.03926	3.7
66.56937	3.1
67.05172	5.6
67.05511	74.7
69.07077	28.5
70.81118	6.8
71.05008	8.6
79.05499	69.1
81.07067	70.7
83.04982	7.7
83.08626	24.4
91.05492	81.6
93.07054	62.8
95.04974	9.2
95.08622	46.5
97.06538	10.0
97.10161	9.4
103.05476	6.5
105.07041	65.4
107.04974	11.6
107.08607	23.3
109.06534	7.2
109.10176	19.8
111.08090	8.1
113.09634	3.5
115.05482	11.5
117.07039	49.9
119.04899	5.0
119.08595	39.2
119.11205	3.0
121.06523	11.7
121.10110	19.8
123.08110	5.8
125.09655	4.3
128.06262	18.9
129.07028	61.8
131.04930	4.7
131.08578	73.0
133.06483	9.9
133.10123	25.2
135.08058	9.7
135.11684	7.0
137.09613	5.9
141.07010	29.7
142.07773	3.7
143.08571	52.4
144.09369	4.6
145.06476	14.2
145.10130	32.8
147.08075	11.7
147.11653	7.7
149.09616	10.9
152.77238	3.3
152.78342	3.5
153.07082	6.1
154.07782	4.7
155.08588	45.8
157.06584	5.9
157.10136	34.4
159.08101	5.1
159.11678	17.9
161.09700	6.8
161.13197	4.2
163.11253	7.1
165.07007	7.6
167.08617	20.3
169.10149	26.7
171.08063	5.4
171.11714	21.9
173.09599	6.7
173.13290	7.4
175.11209	7.0
177.12816	4.9
179.08563	8.6
181.10129	18.2
183.11696	13.6
185.09621	3.5
185.13297	8.5
187.11241	6.8
187.14809	4.9
193.10176	8.4
195.11816	17.1
196.07051	3.1
197.09630	3.9
197.13268	12.3
199.11188	3.8
199.14783	9.2
203.14406	4.8
207.11821	7.7
209.13277	11.1
211.11279	3.3
211.14825	7.4
213.12810	7.1
213.16325	3.3
215.14348	14.1
217.15781	5.4
221.13237	14.6
223.14827	12.8
225.12614	4.6
225.16458	5.9
231.13748	4.7
233.13330	5.1
235.14784	8.7
237.16411	4.6
239.14305	8.4
243.17589	3.6
245.15382	5.9
253.15921	9.2
257.15414	8.2
259.17047	4.6
269.15207	3.4
271.16907	11.7
285.18671	3.5
289.17938	4.1
307.63400	3.3
315.21338	6.2
323.23679	9.0
333.22198	26.9
341.24838	18.8
351.23209	67.1
357.21375	3.2
364.69839	3.2
369.24283	53.0
387.25363	24.1
425.26740	10.9
443.28009	100.0
461.29083	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55930	0.5
53.03938	1.5
55.01864	2.6
55.05510	6.2
57.03418	1.1
57.07072	1.3
61.02918	0.7
61.06289	0.6
64.16555	0.5
67.05518	3.5
69.03129	0.6
69.03440	7.0
69.06723	0.9
69.07073	12.4
70.86751	0.8
70.87079	0.8
71.04981	2.6
71.08624	0.7
73.02904	0.7
79.05496	4.3
80.46866	0.6
81.03411	3.5
81.07059	12.7
83.05010	0.7
83.08197	0.8
83.08618	6.7
85.02910	11.7
85.06560	3.3
87.00836	5.8
91.05485	3.1
93.07046	11.7
95.08613	23.3
97.02890	4.0
97.10186	4.2
99.04457	1.7
99.08099	15.6
105.01858	7.1
105.07036	3.1
107.08599	28.4
109.02884	3.4
109.10155	6.9
111.08078	4.8
111.11720	0.8
113.09671	1.4
119.08560	1.2
121.02927	0.6
121.10150	44.3
123.11679	1.2
124.03967	0.7
125.09646	6.5
125.13145	0.6
127.03924	8.3
131.04918	0.8
133.10146	0.7
135.11713	7.8
137.05937	0.8
137.13255	5.6
139.11139	1.2
145.04967	3.9
149.13300	3.0
155.69975	0.6
159.02884	1.2
167.62703	0.6
175.14838	0.8
177.16391	100.0
178.16757	0.9
195.17455	24.0
213.18498	30.0
231.05017	1.7
249.06108	1.4
283.06100	0.8
309.07324	0.8
311.05533	0.9
313.07098	1.3
314.10565	1.0
379.08310	0.8
425.08600	1.2
431.15329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.7
55.01876	12.2
55.05516	28.0
57.03448	12.5
57.07059	5.7
58.06595	1.7
59.04994	2.6
61.02934	8.3
65.03935	1.9
67.05515	13.3
67.19080	1.7
68.99786	6.1
69.03435	65.3
69.07070	43.9
69.18746	9.0
69.19170	9.9
70.06604	2.4
71.05000	15.8
73.02924	9.9
74.00653	4.7
79.05508	8.8
81.03422	62.1
81.07057	31.0
83.04996	12.2
83.08629	9.5
85.02912	100.0
85.06544	19.3
87.00838	42.0
91.03914	2.3
91.05470	15.4
92.05817	1.9
93.07060	15.5
95.08056	2.7
95.08617	37.7
96.08993	1.9
97.02894	34.4
97.06532	8.2
97.10176	12.2
98.21571	3.2
98.97546	3.0
99.04461	23.3
99.08096	31.1
100.11297	2.3
103.05472	30.8
105.01862	26.1
105.07034	7.7
107.08599	24.5
109.02892	55.4
109.10165	17.3
111.08099	3.4
111.11737	10.7
113.09641	8.8
115.03948	2.3
117.01862	7.7
118.79359	1.6
119.04958	2.6
119.08593	5.7
120.08118	2.0
121.06474	4.8
121.10158	30.0
123.11687	9.7
125.09620	7.2
127.02975	4.7
127.03922	95.0
127.11176	1.9
129.01852	8.7
131.04933	59.3
133.06451	2.5
133.10104	6.0
134.05998	3.2
135.11722	17.6
137.05995	8.6
137.13248	16.0
139.11174	6.4
145.04982	30.5
147.02913	5.0
147.11671	2.0
149.06027	3.5
149.13217	3.4
151.07469	3.4
151.14867	3.9
153.12750	15.0
155.87531	1.6
159.02902	31.3
161.05981	7.0
163.07559	18.0
164.06990	1.8
165.09114	1.8
167.07050	2.7
177.03896	1.9
177.16405	63.4
180.06541	2.0
189.03952	2.9
193.15863	3.2
194.08195	4.5
195.17459	85.3
196.08806	2.5
201.05408	3.4
206.01146	5.9
213.03929	3.5
213.18507	76.0
219.17432	2.4
221.15202	1.7
231.05003	22.9
241.06137	2.1
249.06059	3.7
283.05896	2.7
299.09113	7.8
309.15079	3.7
325.10861	3.0
337.10641	3.6
354.38217	2.0
417.24609	4.4
443.22385	3.2
448.97104	1.7
461.09866	4.1
461.18063	2.3
461.23434	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	461.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
65.82088	0.6
69.03395	1.8
70.23392	0.7
71.45663	1.0
78.18346	0.8
79.05447	0.8
81.03352	2.1
85.02870	1.4
91.05411	2.1
91.05955	0.7
93.05742	0.7
97.02843	3.1
104.04929	0.9
104.62451	0.8
106.06536	1.7
108.08047	2.7
109.02888	0.8
117.05692	0.7
127.03849	1.1
130.06535	18.2
131.06029	0.9
136.07562	4.9
153.06935	0.9
154.06503	0.9
164.07002	0.8
165.06941	2.6
167.07248	1.0
167.08563	1.2
168.06828	0.9
168.08081	3.8
180.08020	2.4
181.07478	0.9
181.08836	1.8
182.08415	1.0
183.09120	1.4
191.07129	1.2
192.08235	3.7
193.07483	4.5
193.09026	1.3
194.09747	11.2
195.09137	2.5
197.10831	0.7
204.08095	6.3
205.07571	2.3
206.08241	8.9
206.09920	1.1
207.09181	29.9
208.09961	17.6
210.09070	2.8
211.08658	1.0
219.09157	3.4
220.09970	4.8
221.10744	71.6
222.11543	7.5
223.12311	64.4
223.14189	0.9
224.12685	1.0
231.09100	1.3
237.10191	1.6
238.10960	0.9
239.11815	44.8
240.12277	1.1
249.10254	16.9
249.61261	0.7
252.08971	2.8
253.09636	0.9
253.13330	2.8
254.10474	3.9
267.11310	33.8
268.11795	0.9
269.12759	0.8
278.80554	0.8
281.12860	2.4
281.75949	0.7
285.12396	1.8
299.13940	8.9
309.12357	3.1
329.34604	0.9
333.12332	3.1
369.14725	1.6
393.14459	12.2
411.15582	8.8
425.17136	12.6
429.16614	100.0
430.16785	1.3
443.18192	17.3
451.75229	0.9
461.19229	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	461.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32632	0.4
69.55692	3.0
91.05460	1.6
91.19805	0.4
94.81984	0.4
106.06521	0.8
118.06446	0.6
130.06558	4.0
131.06032	1.1
132.06848	0.7
136.07564	0.6
165.06982	1.1
167.07289	1.0
167.08594	0.7
179.08551	0.8
180.06689	0.5
180.08086	2.4
181.07491	0.9
181.08858	1.9
182.08307	0.7
182.09698	0.9
183.09149	1.2
191.07237	0.9
192.08092	0.9
193.07591	2.5
193.09079	0.6
194.09744	7.5
195.09093	3.4
196.11220	1.4
199.28992	0.5
204.08089	2.5
206.08173	1.7
206.10010	3.2
207.09143	15.5
208.09970	21.8
209.86818	0.5
219.09201	1.5
220.09926	1.3
221.10751	27.6
222.11501	6.5
222.82909	0.5
223.12311	100.0
224.12605	0.8
237.10085	0.6
239.11801	9.5
243.50140	0.5
249.10271	3.2
253.13400	0.7
254.10629	0.7
267.11304	60.6
268.11649	0.6
285.12415	0.7
299.13922	15.3
309.12405	0.9
393.14359	1.3
411.15527	0.9
429.16592	22.8
430.16687	0.7
461.19205	19.5
473.27899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80560	6.4
55.05510	18.8
57.07062	8.5
67.05505	37.3
69.07072	57.5
71.04994	7.7
74.33183	6.9
79.05492	31.8
81.07063	98.7
82.57312	6.1
83.08618	13.8
91.05479	37.2
91.54113	7.1
93.07047	62.7
95.08607	100.0
97.10173	13.5
105.07047	34.1
107.08614	89.4
109.10157	83.2
111.11713	8.7
119.08607	45.7
121.10155	64.9
123.11693	36.0
133.10129	32.6
135.11699	65.6
137.13249	10.2
145.10144	12.7
147.11711	18.4
149.13281	22.1
153.12778	7.7
159.11739	12.9
161.13327	16.9
163.14861	14.6
175.14842	14.8
177.16367	12.6
189.16396	10.8
191.17921	31.3
203.18013	9.3
217.19241	7.9
334.23801	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	461.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18588	0.4
64.98890	0.4
69.03426	2.8
70.28245	1.5
71.04974	0.6
79.05510	0.4
80.04987	0.6
81.03397	0.8
85.02888	1.7
85.75912	0.4
91.05472	2.8
93.05772	1.4
97.02914	2.2
98.97561	0.5
99.04485	0.5
104.05005	1.0
106.06565	4.7
108.04463	0.7
108.08118	3.0
118.06538	1.0
121.05299	0.6
121.06470	0.5
127.03942	0.6
130.06529	30.5
131.06020	0.9
136.06139	0.6
136.06410	0.6
136.07574	7.2
137.05954	0.5
144.08118	0.6
150.05510	0.9
154.06570	0.5
156.08047	0.6
165.07016	2.1
166.06543	0.7
167.07265	1.4
167.08546	0.9
168.06787	0.6
168.08099	4.0
169.07567	0.8
177.07079	0.7
179.08607	1.1
180.08092	3.9
181.07549	1.5
181.08989	2.2
182.08293	0.8
182.09671	0.9
183.09140	1.5
186.68291	0.4
187.08632	0.5
191.07303	2.6
192.08147	3.2
193.07527	4.3
193.09108	0.5
194.09743	12.9
195.09149	5.4
196.11240	1.4
197.10811	0.7
204.08096	6.0
205.07402	0.7
205.09042	0.8
206.08038	6.3
206.09779	4.4
207.09164	33.7
208.09950	23.8
209.10509	0.8
210.09181	2.3
215.08109	1.2
219.09236	2.1
220.09940	3.9
221.10736	70.1
222.11522	14.9
223.12302	100.0
224.12668	1.0
231.09143	0.7
237.10217	0.8
238.08687	0.7
238.10924	0.7
239.11801	22.2
249.10233	18.4
252.08977	1.0
253.13420	4.1
254.10503	5.6
254.14262	0.6
255.14999	0.8
267.11298	50.3
268.12045	1.8
270.09830	0.7
281.12863	2.6
285.12311	3.4
299.13898	26.9
305.12976	0.5
309.12524	1.0
319.10739	1.2
333.12433	2.1
393.14441	4.6
411.15500	8.6
425.17096	6.6
429.16599	77.4
430.17136	0.8
443.12109	1.0
443.18179	17.5
461.19196	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	460.1963
Annotation	SCHEMBL12931307
Peak:m/z	Relative Intensity
55.01873	3.7
57.03419	1.0
59.04979	0.7
70.02953	4.9
70.06590	1.6
70.08657	0.9
70.09000	3.3
72.08156	0.8
73.02919	19.8
85.02899	2.7
87.00815	1.0
87.04470	0.8
89.06030	9.7
91.05499	1.0
92.50597	0.7
93.07015	0.8
98.05987	0.8
99.08076	0.9
99.86289	0.7
101.02387	1.5
105.07051	0.8
108.04475	1.5
113.02390	4.4
115.40481	0.8
121.02882	2.7
126.05543	1.2
127.03920	1.3
131.03406	2.3
131.04929	1.0
133.08598	6.7
148.07672	0.8
151.07564	1.4
154.05011	4.0
165.09120	1.5
167.08591	1.1
172.06082	6.0
175.35965	0.9
177.11218	2.1
190.08606	1.3
193.16003	0.8
195.08017	2.2
200.10725	3.1
205.10751	1.8
208.08890	1.8
216.10246	2.1
218.11760	1.8
222.09229	1.0
223.07649	1.7
224.08354	3.8
224.10561	1.3
227.10741	1.5
229.10944	1.3
229.96182	0.7
230.11732	1.0
232.08951	1.3
233.09785	0.7
234.09248	0.9
235.07547	1.0
236.10693	1.7
238.10031	7.1
238.12213	1.6
239.10760	5.8
240.10110	4.1
242.11745	8.3
244.13182	0.8
249.09265	1.0
249.11450	1.0
250.12384	1.1
251.10645	3.0
252.10379	1.4
254.11827	4.4
255.12529	3.9
256.13309	7.8
257.11786	0.9
263.10678	3.5
264.10043	4.1
265.10971	3.2
266.11758	9.0
267.10095	1.1
267.12659	2.0
268.13309	3.6
269.11557	1.2
270.12149	1.4
270.14890	8.4
272.12817	3.7
274.14389	2.0
277.12106	0.8
278.11829	1.8
280.13342	18.2
281.11450	0.8
281.14246	4.6
282.11383	2.1
282.14865	3.9
284.12830	3.2
293.11792	0.9
294.15125	0.8
295.05640	3.2
297.13623	1.1
298.14435	14.2
299.15042	0.8
305.16183	0.8
306.14868	0.9
308.06522	3.4
309.06970	1.0
310.07788	1.0
312.15930	5.7
313.16736	0.9
316.15448	3.7
317.11752	0.8
320.06372	1.2
326.07474	0.9
330.17026	9.6
334.08099	1.0
334.14603	0.8
337.06958	1.7
338.07443	6.2
340.11990	0.9
349.13431	0.8
356.08527	5.2
363.12210	1.4
380.08948	1.2
380.14905	6.0
392.14651	0.8
398.16153	1.3
406.09982	3.2
410.15936	3.5
412.17438	2.5
415.25342	2.4
424.11032	2.6
424.16818	0.9
428.17017	1.7
430.18692	10.9
442.12112	4.9
442.18625	8.4
460.19641	100.0
461.19949	2.2
478.18976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
53.03944	7.4
55.01876	6.8
55.05513	1.9
56.96577	0.9
57.03443	5.9
58.06610	1.1
60.04520	1.0
61.02937	4.3
66.07680	0.7
67.05528	1.5
68.60194	0.9
68.99789	2.0
69.03432	25.3
69.07068	3.1
70.17496	1.9
70.17891	1.6
71.04986	3.7
73.02914	6.0
74.27028	0.8
77.67967	0.8
78.03468	4.1
79.05486	2.8
80.05019	1.6
80.86803	0.8
81.03421	28.6
81.07047	2.3
81.43161	0.8
83.05009	1.3
83.08604	1.1
84.08170	1.3
85.02910	70.2
87.00836	27.9
87.04482	1.7
91.03978	2.0
91.05473	4.6
93.07025	1.7
95.04977	1.6
95.08609	2.2
97.02897	25.2
97.06535	1.7
98.06041	1.0
98.97596	1.8
99.04455	9.9
103.03937	1.4
103.05491	2.4
105.01873	20.6
105.07034	7.3
106.02930	15.7
107.04219	1.2
107.04960	26.2
107.08602	3.6
108.04475	7.3
109.02883	32.0
113.37093	0.9
115.03910	1.8
115.05476	1.8
117.01888	3.5
117.07030	1.2
119.08585	8.9
120.05765	1.2
121.10151	1.9
122.06018	1.6
124.03962	28.6
125.05981	1.4
126.05506	3.2
127.03924	49.1
129.01846	4.0
131.08534	1.0
133.10144	12.1
135.08046	9.4
135.11710	3.7
137.05997	1.6
145.04965	20.6
145.07652	0.8
146.06047	1.0
146.19115	0.9
147.02905	2.8
147.04482	1.3
147.06798	1.3
149.05945	1.0
151.07524	2.0
159.02898	14.2
159.08144	1.8
163.07553	32.4
164.07109	1.7
167.07022	12.3
175.14842	13.0
180.07809	1.8
187.07500	1.4
189.03912	1.7
195.10178	100.0
201.82922	0.9
207.10185	2.9
213.03981	2.5
219.10225	1.9
219.69995	0.8
230.06593	3.4
231.05022	11.3
248.07617	5.8
250.07112	9.5
266.08716	2.1
268.08173	13.0
273.13626	0.9
285.11349	1.6
286.09171	1.2
289.34164	1.1
290.13879	1.6
299.09167	1.4
303.12317	3.0
308.14944	2.5
390.13345	3.6
390.63498	1.2
398.22885	1.0
416.24274	13.5
445.16162	5.3
451.08298	0.9
460.17728	1.7
460.22128	2.0
460.27960	7.7
461.17349	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	460.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
55.01873	8.0
55.05524	0.8
57.03441	5.1
60.04526	1.0
61.02930	5.2
68.99789	2.5
69.03433	26.2
69.07039	0.4
69.45423	2.6
71.01363	0.7
71.05001	4.3
73.02924	6.3
79.05505	0.7
80.05030	0.7
81.03422	26.2
81.07070	0.4
83.01348	1.1
84.04511	0.6
85.02909	70.4
87.00835	29.1
87.04490	1.2
91.03959	2.2
91.05492	1.7
93.03436	0.7
93.07040	0.5
95.08634	0.7
96.04492	0.6
97.02900	28.2
98.06059	1.1
99.04465	12.2
101.02407	0.5
103.05480	4.4
105.01872	28.0
105.07047	2.4
107.04948	5.9
107.08572	0.8
108.03791	0.8
108.04487	9.0
109.02889	29.5
115.03944	1.3
115.05460	0.8
117.01863	4.2
120.05701	0.5
121.06531	0.7
121.10157	0.5
124.03982	0.7
126.05537	4.6
127.03927	49.9
128.04279	0.6
129.01836	3.3
131.04916	1.3
133.10139	0.7
135.08057	5.3
139.03900	3.3
141.01822	0.4
144.06561	0.6
145.04968	25.1
147.02879	2.6
154.06255	26.7
159.02904	18.1
163.07558	24.5
167.07085	1.9
175.14844	0.5
177.03949	1.1
177.16452	0.7
180.07866	1.1
189.04015	1.1
195.10182	100.0
196.10561	1.0
207.10146	1.1
211.16817	0.5
212.05568	0.8
213.04002	2.8
219.10188	0.5
230.06635	3.1
231.05023	11.0
248.07669	6.5
249.06053	1.9
266.08740	2.0
285.11081	1.2
303.12415	1.1
340.12195	0.4
395.17010	0.5
415.88281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01883	0.6
55.05505	0.5
61.02933	0.8
67.05504	0.5
69.03437	2.4
69.07068	0.7
70.06599	4.8
70.22455	0.3
71.05016	0.6
71.57017	0.6
72.08179	0.6
73.02917	0.7
73.06564	1.6
76.02254	0.4
79.05490	0.7
81.03439	1.4
81.07079	0.6
83.04987	0.6
84.08183	0.5
85.02912	3.7
85.06546	0.5
86.09708	2.6
87.00838	1.1
87.04475	7.3
89.06039	100.0
89.64078	0.4
90.06384	0.4
91.05492	1.3
91.07594	0.9
93.07059	0.8
95.04971	0.4
95.08621	1.0
97.02891	1.2
99.04451	0.7
99.08096	2.4
105.01897	1.2
105.07040	1.0
107.04978	1.0
107.07081	2.3
107.08604	0.7
109.02882	1.4
109.10167	1.1
110.07206	0.4
117.09163	0.5
118.06545	0.4
119.04937	0.9
119.08612	1.3
121.02892	0.6
121.10223	0.7
123.04383	0.5
123.11706	0.4
127.03922	2.6
130.08650	1.3
131.07042	2.0
133.08617	55.5
133.10043	2.4
135.10129	0.6
135.11734	1.0
136.07629	0.5
137.05980	0.7
137.09651	1.0
145.02843	0.6
145.04945	0.6
146.06041	1.6
147.04430	0.8
147.08067	0.3
151.07545	0.7
157.09749	0.7
159.02872	0.9
161.06020	0.4
165.05489	0.8
165.09222	0.4
170.05727	1.7
175.09761	0.7
175.14850	1.3
177.05496	0.9
177.11238	14.3
179.07060	0.9
182.08192	0.5
193.06560	0.5
193.08626	2.7
193.15892	2.2
211.07539	0.3
211.09695	1.3
211.16995	2.0
221.13820	2.1
227.03540	0.4
231.04951	0.5
239.14883	0.8
259.14529	0.5
283.17389	0.5
287.57474	0.4
297.07462	1.5
298.07449	0.4
309.07452	0.7
321.07611	0.4
325.06461	0.5
326.07297	0.7
327.07809	0.8
327.14087	0.6
339.08081	0.9
353.06223	0.6
354.06918	1.0
355.07001	2.5
391.80121	0.4
398.16452	0.4
415.25366	0.9
423.09808	0.9
441.10846	1.7
459.11203	2.6
459.22473	0.5
459.27975	0.9
460.19550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01875	9.1
55.05510	51.8
56.63409	1.8
56.96543	2.7
57.03416	7.1
59.04983	2.6
61.02943	1.8
62.68029	1.5
65.03940	3.4
67.05504	46.3
69.03406	7.6
69.07062	17.9
71.04961	2.7
79.05490	50.9
81.03392	2.3
81.06589	2.0
81.07056	33.0
83.04957	5.3
83.08613	25.0
85.02898	3.3
85.06532	2.0
86.48833	1.8
89.05996	1.9
91.05482	39.5
93.06584	2.0
93.07048	23.1
95.04926	4.9
95.08141	1.6
95.08610	17.7
97.10171	45.9
98.97601	3.1
103.05462	17.6
105.03393	2.5
105.07030	24.8
107.04929	5.9
107.08592	25.3
109.06488	3.7
109.10142	10.0
111.08042	3.0
111.67820	1.9
115.05476	9.2
117.06232	2.7
117.07020	46.8
119.08575	17.0
121.06475	3.8
121.10134	6.2
123.08021	3.1
125.08767	2.4
125.09636	40.6
128.06181	6.5
129.07011	25.3
131.04892	6.3
131.08566	35.0
133.06490	9.7
133.10110	7.3
135.08066	10.1
135.11653	1.7
135.48932	1.9
137.05977	3.4
137.09572	3.6
141.07013	12.7
141.07921	2.5
142.07747	3.7
143.08563	16.8
145.06511	11.8
145.10127	12.9
147.07965	3.4
147.11617	3.4
149.09633	3.7
153.06982	4.5
153.09071	3.2
155.08557	15.9
157.06453	7.7
157.10085	3.7
159.08025	4.7
159.11629	5.9
165.06923	1.9
165.09070	6.4
167.08492	6.7
168.09377	2.4
169.10110	11.0
171.07970	4.5
171.10271	3.0
171.11688	7.5
172.93094	1.6
173.11836	1.9
173.13217	3.1
179.08508	2.2
181.10139	3.7
185.09642	3.5
185.13196	4.4
187.14801	16.0
189.11218	25.5
189.12839	1.5
195.11691	5.6
197.13290	16.6
205.10254	2.4
209.13243	2.2
211.11063	2.1
213.12709	6.2
215.14310	74.4
227.12770	27.2
233.15295	2.7
235.14708	1.8
237.12813	1.7
241.12254	5.7
245.13799	2.7
251.14224	2.4
253.15784	2.7
255.13788	3.4
269.15219	2.3
271.16898	6.8
304.09814	3.5
321.22220	2.3
331.15601	2.2
331.20190	2.8
339.23145	6.5
349.17511	2.9
349.21460	13.8
357.23944	1.8
367.22699	34.2
385.23666	22.4
403.24713	6.2
441.26343	70.5
449.84537	1.8
459.27698	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01856	1.0
55.05499	3.0
57.03419	1.4
67.05484	4.6
68.65640	1.0
69.03436	6.4
69.07066	5.0
70.73726	3.0
71.04996	2.7
79.05479	2.3
79.61729	0.9
81.03443	4.9
81.07066	5.5
83.04964	1.7
83.08598	2.5
85.02901	13.0
87.00824	4.8
91.05484	5.0
93.07055	3.7
95.08613	10.7
97.02881	3.9
97.06522	1.7
97.10179	1.1
99.04449	2.5
99.08103	1.1
105.01851	4.1
105.07005	2.3
107.08608	6.8
109.02872	3.1
109.06501	2.3
109.10155	14.8
111.08103	6.5
118.06640	1.0
119.08595	12.5
121.10133	6.3
123.08096	8.2
123.11726	6.0
125.09612	1.6
127.03922	6.2
127.11103	1.0
131.04942	1.2
133.10132	15.1
135.11684	14.4
137.09604	18.6
137.10594	1.7
145.04927	2.1
147.11710	2.1
149.13303	6.4
151.11206	2.3
151.14766	1.6
159.02885	1.5
165.12747	3.7
165.16383	1.4
175.14828	24.1
176.15085	1.3
192.73222	0.9
193.15898	24.3
194.08087	2.5
211.16939	100.0
212.17389	1.8
231.05020	1.2
391.22021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01871	2.2
55.05507	4.0
56.96556	1.5
57.03432	3.2
57.07091	1.9
59.05001	2.6
61.02922	2.0
67.05515	5.4
67.46531	0.9
69.03436	13.3
69.07068	10.4
70.95558	2.3
71.05003	7.8
73.02907	3.0
79.05509	5.8
81.03425	8.7
81.07060	20.9
83.04982	2.3
83.08626	4.5
85.02909	27.8
85.06553	1.7
86.09716	2.1
87.00836	12.6
87.04474	3.7
89.06025	1.3
91.05487	7.4
93.07041	12.2
95.04959	3.3
95.08618	17.0
97.02903	9.7
97.06542	11.0
97.10142	1.4
98.97552	1.4
99.04459	4.8
99.08094	1.9
105.01871	8.9
105.07052	6.4
107.04982	1.5
107.08611	10.3
109.02888	7.8
109.06519	8.2
109.10168	7.9
111.04455	2.0
111.08072	1.4
111.11703	1.6
115.07572	1.2
118.36760	0.9
119.05018	1.2
119.08608	9.9
121.10133	7.8
122.23570	1.0
123.08076	7.5
123.11716	32.7
125.09689	2.0
125.13229	2.4
127.03923	15.4
128.98619	1.0
129.01894	1.3
131.08560	2.1
133.10147	17.6
135.11708	16.9
135.25839	1.1
137.05975	2.3
137.09622	4.2
137.13237	2.0
141.12712	1.2
145.04977	5.0
145.10069	1.2
146.83626	1.1
147.07861	1.1
147.11687	2.6
149.09613	1.2
149.13274	12.3
151.07405	1.3
151.11192	39.4
153.12711	1.4
155.10667	1.1
159.02887	3.2
159.11700	1.9
165.09016	1.8
165.12781	2.5
167.14278	1.6
169.07681	1.1
175.14839	25.4
189.04088	1.3
191.14328	1.7
193.15891	31.8
209.15372	2.0
211.16940	100.0
231.05019	2.8
245.15401	1.6
253.15625	2.4
253.17973	1.3
253.65939	1.4
253.93245	1.3
265.06937	1.4
334.68631	2.0
335.18445	1.4
399.24121	1.5
443.16422	1.2
459.11530	1.2
459.17581	3.5
459.28058	2.3
459.68719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
54.43717	0.7
55.01868	1.4
55.05513	5.9
57.03437	1.6
57.07068	2.3
59.04998	1.8
61.02924	0.7
65.02661	0.7
67.05511	14.9
69.03434	10.1
69.07067	11.4
69.95580	1.4
69.95995	2.2
71.04991	3.6
71.08630	0.7
73.02909	1.4
79.05497	4.0
81.03423	4.3
81.07063	14.9
83.04986	9.3
83.08622	5.5
85.02910	9.7
85.06550	3.8
87.00829	4.7
91.05499	5.3
92.02870	0.6
93.07056	8.2
95.04965	1.6
95.08614	28.9
97.02903	5.0
97.06532	1.5
97.10173	2.3
97.35072	0.6
99.04454	2.7
99.08096	6.0
105.01865	3.9
105.07041	6.9
107.08600	19.6
109.02888	3.0
109.06519	8.2
109.10164	94.4
110.10508	1.0
111.08064	2.8
113.09648	1.5
119.08593	38.2
121.10153	13.8
123.08083	11.6
123.11706	8.0
125.09624	1.8
127.03921	7.5
133.10147	24.7
134.06021	1.1
135.11703	100.0
136.12016	1.0
137.09625	16.3
139.11237	3.4
140.78053	0.8
145.04971	3.7
147.11702	1.0
149.13261	6.1
151.11218	6.8
151.14827	10.4
153.12762	2.6
159.02896	1.3
165.16406	2.8
165.68576	0.7
175.14839	46.0
176.15306	0.9
180.06598	0.8
187.96683	0.6
193.15897	70.6
194.08212	2.2
211.16946	72.0
212.17296	0.9
213.03986	0.8
231.05034	1.0
234.18764	0.7
241.66505	0.8
283.06131	1.1
459.09317	1.2
463.41049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0928
Annotation	8-Demethyltetracenomycin C
Peak:m/z	Relative Intensity
52.91304	0.3
53.03930	0.9
55.01853	1.2
55.05493	1.1
57.03419	0.4
58.06586	0.8
59.04970	0.4
61.02901	0.6
65.03907	0.4
66.87188	0.3
67.05511	2.5
69.03436	3.6
69.07048	1.5
70.06570	0.4
70.38981	0.3
70.57671	1.0
71.04961	0.9
72.08145	0.5
73.02913	0.8
75.64364	0.3
77.99490	0.3
79.01856	4.2
79.05461	1.5
81.03427	2.5
81.03822	0.6
81.07052	1.9
83.04970	0.3
83.08614	0.6
84.08131	0.7
85.02910	4.6
85.06512	1.4
86.09682	1.3
87.00793	1.4
87.04480	1.6
89.06013	1.2
89.45336	0.3
89.46649	0.3
91.03973	0.3
91.05486	3.7
93.07046	2.1
95.04971	0.9
95.08607	3.1
97.02921	2.5
97.06501	0.9
98.97555	0.8
99.04414	1.5
99.07509	0.4
99.08100	6.2
105.01845	0.8
105.07014	1.3
107.04880	0.5
107.08614	2.3
109.02878	2.7
109.10158	4.5
111.08054	0.6
116.06299	0.4
119.04973	1.8
119.08562	1.5
120.05724	0.8
121.02876	6.3
121.10135	1.2
122.06036	0.5
123.04420	0.4
123.07957	0.4
123.11682	1.0
125.09595	0.5
127.03924	4.4
130.06546	1.7
131.08572	0.4
133.08586	0.8
133.10156	2.0
134.05988	1.0
135.08034	0.5
135.11699	2.2
137.02339	0.4
137.05989	1.9
137.09578	1.4
138.03065	0.8
141.01852	0.5
145.02837	1.4
145.04938	1.0
145.06430	0.4
145.10156	0.4
147.11655	0.5
148.67648	0.4
151.11131	0.4
153.01730	0.5
155.03424	0.4
155.10660	2.1
157.06433	0.5
159.02881	0.6
161.09647	0.4
162.05466	0.5
163.03876	0.9
165.01830	4.4
165.09123	0.3
170.46693	0.3
171.07886	0.4
173.13208	0.4
175.03993	0.4
175.07507	0.4
175.14818	1.5
177.16386	0.4
180.06416	0.5
181.06602	0.4
183.02930	1.8
185.05927	0.4
187.03931	0.6
191.03342	0.6
191.12602	0.4
191.14253	0.7
192.10191	0.3
193.12192	0.6
193.15935	2.7
194.08206	2.1
194.09654	0.5
199.07635	0.5
200.04372	0.3
207.06482	0.4
207.89288	0.4
210.06764	0.4
210.25116	0.3
211.07500	1.0
211.13333	0.4
211.16962	7.9
213.03458	0.5
213.05479	6.1
224.10672	0.5
227.06990	1.2
228.07817	0.8
231.05121	0.7
238.06285	0.6
239.07103	0.5
241.04930	0.6
241.13351	0.4
255.06538	8.2
256.07315	7.8
259.06009	1.4
265.04929	0.4
268.07367	0.6
271.05951	1.3
283.06024	100.0
284.06796	39.6
285.07236	0.9
295.06165	0.6
297.07632	3.4
297.12396	0.5
298.04749	0.5
301.93231	0.4
309.03909	0.6
309.07422	0.5
311.05478	2.0
313.07013	1.2
316.05762	1.2
325.07043	3.8
340.05649	0.4
343.08038	1.3
353.06577	4.0
355.08087	0.4
367.08286	0.5
371.07574	4.3
395.07672	1.4
399.07114	3.7
413.08664	1.3
420.11664	0.5
427.20306	1.8
431.09570	0.7
441.08194	1.5
442.35358	0.7
459.09256	92.9
459.37402	1.6
460.09540	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	458.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	17.0
55.60448	18.8
58.06580	35.8
58.78538	17.4
58.97885	19.7
59.04993	28.1
60.52278	15.8
69.03459	25.6
69.07061	25.8
71.56776	33.0
74.12383	23.3
79.05503	20.2
81.03432	35.9
81.07069	45.1
84.04507	42.6
85.02909	35.7
87.00816	21.2
89.58287	17.0
91.05474	59.3
95.04989	21.1
97.02915	27.6
97.06544	28.1
105.07051	51.6
107.08575	24.7
109.02889	46.5
109.06537	22.9
109.10134	20.9
119.08570	22.7
121.06559	24.9
122.06049	61.5
127.03934	61.6
131.08559	22.1
133.10150	76.0
137.06000	70.2
145.04993	23.3
147.53513	19.4
148.05971	19.4
149.06079	25.8
161.37634	19.0
162.07011	20.0
164.07065	26.8
174.13634	41.5
175.07587	50.2
176.06963	22.6
177.07866	64.7
178.08655	42.2
191.14417	39.2
192.14642	43.1
201.50308	19.1
252.09375	30.9
368.15027	100.0
396.22260	22.9
396.78680	22.2
413.16068	35.1
421.02728	19.3
440.16943	60.9
440.23666	21.7
458.20172	54.6
458.25314	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
55.05500	1.3
56.96559	1.9
58.06599	2.6
69.03422	2.6
69.69015	4.8
70.06585	6.2
72.08150	1.2
73.02899	0.8
81.03435	1.2
83.08636	1.3
84.04501	2.8
84.08147	2.2
85.02933	4.0
86.09711	3.8
87.04501	1.1
91.05495	1.8
95.04953	1.1
97.02895	2.0
98.20812	1.1
98.97586	1.1
99.57747	0.9
100.11256	10.6
102.03231	0.8
107.04946	1.2
109.02882	2.3
110.06094	0.9
115.05439	1.1
116.07091	1.4
117.63058	0.8
119.04923	1.0
121.02882	2.6
122.03162	1.0
123.04416	0.9
126.05563	1.8
127.03908	1.3
128.06219	8.8
128.07033	1.1
130.04967	1.3
130.06563	0.9
131.00153	0.9
137.06023	2.6
143.08569	27.7
145.02829	0.9
145.04890	1.2
147.04402	2.3
155.06061	1.4
160.07600	3.6
161.09589	1.5
163.03944	1.6
164.07106	6.1
171.08054	40.2
172.81738	0.8
173.05963	3.2
177.05508	0.9
177.07843	0.9
182.43906	0.8
186.06731	0.9
189.09184	7.7
206.11766	3.0
207.12129	1.1
209.16551	3.0
215.10635	3.8
227.17543	17.8
232.13329	100.0
237.02875	1.2
247.12120	0.8
266.12131	0.8
269.07742	1.0
280.06796	0.9
295.05856	1.9
296.06427	2.9
297.07288	1.3
308.06409	5.3
309.07043	2.4
310.07663	0.9
317.05984	0.9
322.07925	1.3
324.05640	1.2
325.07111	3.5
326.07431	13.5
337.06876	1.9
338.07367	8.7
350.07434	1.0
351.08521	1.1
352.09015	2.6
366.10400	1.5
368.08386	1.3
376.09012	1.0
379.08041	1.7
380.08429	9.9
392.08469	2.5
404.08383	4.0
410.09500	2.9
422.09497	4.1
440.10498	3.5
440.18942	3.7
458.11404	15.9
458.18820	2.7
458.20267	2.9
458.30765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	beta-Peltoboykinolic acid
Peak:m/z	Relative Intensity
52.46588	0.5
55.05516	3.3
57.07080	2.1
67.05510	4.1
68.59200	0.6
69.07072	9.4
70.03695	2.1
71.08643	0.8
79.05490	3.3
81.07059	13.1
83.08625	3.2
90.62083	0.7
91.05500	1.9
93.07053	5.3
95.08609	24.9
97.06499	0.7
97.10173	2.1
105.07018	5.1
107.08603	10.6
109.06493	1.3
109.10165	12.1
111.11739	2.0
117.07020	0.9
119.08585	8.5
121.06525	0.9
121.09295	1.2
121.10133	10.6
121.11005	0.6
123.08060	1.4
123.11722	5.3
131.08591	2.4
133.10129	8.4
135.07993	0.7
135.11703	5.0
137.09671	0.8
137.13254	10.7
139.07506	1.4
143.08594	0.7
145.10083	2.9
147.11717	4.8
149.09566	0.7
149.13242	2.9
151.07535	1.5
151.11208	0.8
151.14848	2.2
153.09106	2.9
157.10159	1.6
159.08096	0.7
159.11664	3.9
161.13258	3.4
163.14838	1.5
165.01288	0.5
165.09166	2.3
165.12544	0.6
167.10641	0.8
171.11696	1.1
173.13260	2.9
175.11237	1.7
175.14844	11.0
177.12767	0.6
177.16341	3.3
179.06511	0.5
179.10704	2.0
179.14302	0.6
185.13261	1.4
187.11188	0.6
187.14780	2.1
189.12733	0.9
189.16333	3.1
191.17975	3.1
193.12328	2.3
199.14841	0.9
201.16428	1.6
203.14325	1.6
203.17975	4.5
205.12227	1.0
205.19513	1.4
207.13805	0.8
207.17430	0.6
213.16299	1.1
215.17987	1.6
217.15924	0.6
217.19504	1.7
219.13805	0.9
219.21268	0.6
221.15343	4.6
227.17982	0.7
229.19545	2.5
231.17490	1.2
235.16972	0.9
241.19466	1.6
243.21068	10.9
245.22742	1.4
247.20561	0.8
249.18520	0.9
255.21146	1.9
257.19199	0.9
269.22620	1.3
273.21945	0.8
275.20154	1.1
283.20511	0.9
283.23831	0.8
284.26691	0.8
287.20013	0.8
289.21649	1.6
298.10001	0.7
301.21600	4.0
301.24969	0.7
303.23135	1.2
315.22995	0.9
329.24734	1.2
381.31488	0.7
393.35220	2.7
411.36240	22.6
421.34479	3.5
439.35733	100.0
440.35989	2.4
457.36777	25.1
457.44232	2.8
458.37003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64898	1.3
53.03945	3.7
55.01870	2.8
55.05512	2.5
56.96559	1.5
57.03440	2.1
57.07060	2.0
57.93011	1.2
59.04998	1.4
61.02922	2.9
67.05506	7.8
69.03438	11.5
69.07065	7.2
70.06555	1.3
70.95390	2.5
71.04987	5.6
72.08138	1.1
73.02911	2.7
79.05492	5.4
79.74398	1.1
81.03417	9.2
81.07052	10.3
83.04976	3.4
83.08623	1.1
84.08149	1.4
85.02919	16.6
85.06544	3.1
87.00831	5.9
87.04523	1.6
89.06036	3.4
91.03970	2.1
91.05482	10.5
93.07061	11.3
95.04967	4.1
95.08611	10.2
97.02891	8.2
97.06532	5.8
98.97595	4.1
98.98464	1.5
99.04453	3.7
103.05466	1.7
105.01875	5.4
105.07053	8.9
107.08593	16.0
109.02900	8.2
109.06528	34.2
109.10169	9.0
111.08073	2.1
113.17842	1.2
116.98630	1.5
119.08563	6.4
121.06490	7.1
121.10153	9.6
122.06001	3.4
123.08091	9.3
123.11687	4.4
127.03919	12.3
129.07018	1.6
131.08578	12.8
133.02826	1.2
133.08655	1.5
133.10133	27.4
135.08055	21.3
135.11722	4.0
137.05952	3.5
143.08568	2.4
144.09239	1.4
145.04971	4.0
145.10123	5.7
147.04391	1.8
147.11693	13.1
149.05980	1.9
149.09621	4.5
149.13255	4.4
151.07515	1.4
153.09126	2.9
157.10246	1.2
158.10915	3.9
159.02921	3.1
161.05998	1.6
162.12483	1.3
163.11154	1.3
163.14842	2.7
164.07133	1.4
165.12759	4.8
167.07161	2.0
173.13271	30.0
173.14694	2.2
189.12743	1.3
191.14322	100.0
209.15372	40.7
231.04979	2.6
240.44583	1.2
258.64157	1.2
285.16956	3.4
307.06000	1.5
319.06042	1.3
325.07047	2.2
336.14066	1.3
337.06958	1.5
376.22800	1.7
421.16440	1.3
457.10916	1.6
457.20322	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01860	1.9
55.05504	3.8
57.03436	3.3
57.07070	1.2
58.76349	1.1
61.02922	1.5
67.05499	5.2
69.03432	7.7
69.07050	4.0
69.23775	2.7
69.24185	8.5
71.05002	5.3
71.69070	1.1
73.02925	1.9
77.46395	1.1
79.05499	6.1
81.03418	9.0
81.07043	6.7
83.04950	1.5
85.02902	18.7
85.06541	2.7
87.00826	7.2
88.39222	1.1
91.05469	9.4
93.07058	9.4
95.04957	3.2
95.08611	7.9
97.02919	6.4
97.06522	4.7
98.97591	2.0
99.04450	3.3
105.01866	5.7
105.07030	16.7
107.04961	1.4
107.08601	13.4
109.02923	7.2
109.06523	55.8
109.10160	13.3
111.08075	1.9
115.05450	1.6
117.01890	1.3
117.07031	2.7
119.08566	6.6
121.06482	4.0
121.10184	6.6
123.08081	7.6
123.11690	1.7
124.05267	1.3
125.09636	1.4
127.03922	13.4
129.01874	1.4
129.06999	1.6
130.07848	1.3
131.08578	24.5
132.20576	1.1
133.10135	84.4
135.08060	25.4
137.05911	1.3
143.08562	3.6
144.09276	1.2
145.04965	5.1
145.10162	7.2
147.11697	5.7
149.09639	4.5
149.13240	4.7
151.07559	3.5
152.07913	2.0
153.09073	3.4
158.10915	5.0
159.02895	4.1
165.09120	2.1
171.11778	1.3
173.13269	46.5
175.07526	1.4
176.11491	1.3
178.08597	3.4
179.09006	1.4
184.07373	1.6
191.14314	100.0
192.14696	1.6
202.11993	1.1
209.15378	34.8
234.55614	1.0
251.30446	1.1
257.35645	1.2
305.19382	3.5
323.10431	1.3
342.16800	1.7
343.17288	2.6
361.07169	1.4
423.68436	1.3
457.18716	3.5
457.27753	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	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25372	0.3
51.80408	0.3
53.03930	1.2
53.51338	0.3
55.01879	3.0
55.05515	0.7
57.03417	0.6
57.07073	0.4
67.05502	0.7
67.20184	0.3
68.99809	0.3
69.03432	2.8
69.07072	13.0
70.81757	0.8
71.04993	0.5
73.02904	0.6
77.25019	0.3
79.05493	1.3
81.03426	2.6
81.07054	1.5
83.04963	1.5
85.02911	3.7
87.00817	1.7
91.05476	3.6
92.19210	0.3
93.07047	11.6
95.04963	0.7
95.08619	2.4
97.02897	1.6
97.06526	1.7
99.04467	1.1
105.01850	0.7
105.07036	2.5
107.08602	8.2
109.02874	1.9
109.06489	0.6
109.10165	1.2
117.07018	0.6
119.08607	2.2
121.05650	0.8
121.06512	13.2
121.10140	6.9
122.05983	0.5
123.08067	1.7
127.03921	2.4
131.08578	3.0
133.10146	5.4
135.08051	5.7
135.11725	1.7
137.09615	0.8
145.04857	0.4
145.10126	1.6
147.11697	29.6
149.09625	3.2
149.13269	5.6
158.10907	1.1
159.02908	0.9
161.09622	4.1
163.11162	0.7
163.14856	1.2
171.11635	0.4
173.13283	7.4
176.11993	1.3
191.14317	100.0
192.14639	1.3
201.89861	0.5
209.15369	1.8
314.53140	0.4
368.98264	0.4
407.76715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
54.32008	1.4
55.01868	7.6
55.05512	8.2
57.03442	4.7
61.02919	2.2
67.05517	10.5
68.99797	2.9
69.03436	18.9
69.07068	5.1
71.04988	11.5
71.56789	2.4
73.02922	3.4
79.05496	8.5
81.03418	20.3
81.07060	9.5
81.50837	1.5
83.04979	13.1
83.08627	9.5
85.02911	42.4
85.06547	7.8
86.09708	3.2
87.00839	15.2
87.04461	2.0
89.43025	1.9
91.05486	11.6
93.07073	11.1
95.04971	17.8
95.08613	10.6
97.02912	14.1
97.06519	8.7
99.04472	7.4
103.03963	4.9
105.01865	11.2
105.07038	14.1
107.04962	1.9
107.07885	2.2
107.08595	20.0
109.02893	14.5
109.06530	94.6
109.10171	25.8
109.48973	1.6
110.06778	1.5
111.04471	1.5
111.08098	5.4
111.32998	1.5
117.01873	2.5
117.07033	4.2
119.04931	1.5
119.08614	7.4
121.06528	5.5
121.10149	19.0
123.08092	14.9
125.06010	5.5
125.09649	4.9
127.03917	20.2
129.01866	2.7
129.07016	2.4
131.08586	17.0
133.06508	1.9
133.10141	26.1
135.08070	48.4
135.11725	3.2
137.06023	4.1
137.09682	2.7
139.11200	12.8
143.08594	2.5
145.04929	7.1
145.10159	5.6
147.02899	2.6
147.08000	2.4
147.11693	7.9
149.05946	7.6
149.09628	7.8
149.13245	7.3
151.11226	11.4
153.09132	9.5
157.09988	2.2
158.10968	2.5
158.54620	1.4
159.02939	4.8
159.11781	2.8
163.11235	2.6
163.14804	3.2
165.12720	2.1
167.07080	4.0
167.10672	2.1
169.12320	3.2
173.13284	32.5
175.11322	2.6
181.12254	15.5
189.03970	10.7
191.14322	100.0
193.12444	2.2
195.10162	2.4
209.08104	1.8
209.15388	59.1
209.17361	3.2
213.03992	1.6
231.04900	1.8
233.15398	4.3
245.18379	1.6
247.74406	1.7
263.16544	1.5
275.16385	1.5
295.06256	1.6
299.16498	1.6
305.19788	1.6
307.06155	1.6
325.07324	3.6
337.07028	3.9
371.13663	1.7
399.16586	2.3
413.27328	2.0
421.18555	3.9
439.10385	1.8
439.19730	3.3
439.25174	3.8
445.18875	1.7
457.14630	4.5
457.20407	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	457.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01868	1.4
55.05508	1.5
57.03425	0.5
67.05515	2.2
68.99797	0.7
69.03437	5.8
69.07056	1.8
71.01045	1.1
71.04987	1.1
79.05499	4.0
79.12183	0.5
81.03419	2.1
81.07057	4.5
83.04977	1.4
85.02905	5.0
87.00832	2.5
91.05480	5.9
93.07021	2.8
95.04964	1.0
95.08620	3.1
97.02890	2.7
97.06522	0.7
99.04420	1.0
105.01866	1.1
105.07037	6.9
107.04955	2.6
107.08607	14.0
109.02895	2.0
109.06532	3.2
109.10174	5.2
115.05447	0.9
117.07021	2.1
119.08607	3.9
121.02856	0.7
121.06552	1.6
121.10147	8.1
122.07300	3.7
123.08086	1.3
127.03909	4.7
131.08563	4.4
133.10141	100.0
135.08075	7.1
135.11702	1.5
137.09628	42.2
145.04918	1.1
145.10126	1.2
147.11681	2.5
149.09654	2.1
149.13275	8.7
158.10907	2.2
163.11130	0.7
163.14835	2.3
170.10938	0.6
171.58517	0.7
173.13268	9.8
175.14861	0.8
191.14320	52.7
192.14742	0.9
209.15379	4.4
231.05038	1.6
325.07233	0.7
408.21301	0.6
417.79495	0.6
421.18680	0.8
439.19699	0.8
439.25055	1.0
457.11377	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09550	1.3
53.03936	3.6
55.01856	4.7
55.05510	3.9
57.03433	4.1
58.58090	1.2
61.02927	2.5
67.05494	3.2
69.03433	15.9
69.07061	2.4
70.81364	3.1
71.04978	3.6
73.02898	4.1
79.05486	4.7
80.92118	1.1
81.03423	15.7
81.07059	10.4
83.04981	2.6
84.08126	1.2
85.02426	2.5
85.02908	31.3
85.06533	4.9
87.00835	13.9
87.04451	1.6
91.03947	1.3
91.05481	11.1
93.07050	14.3
95.04966	3.7
95.08601	9.2
97.02893	14.9
97.06530	10.3
98.97581	2.3
99.04448	7.7
99.08089	4.9
105.01872	9.0
105.07030	25.5
107.08593	12.5
109.02892	11.7
109.06504	3.9
109.10135	4.8
111.08061	2.6
115.03941	1.3
115.05446	1.4
117.01902	3.1
117.07043	2.3
117.91988	1.2
119.08585	16.7
121.02885	3.1
121.06503	2.6
121.10154	8.0
121.10893	1.4
123.08044	2.4
123.11646	1.8
126.09153	1.3
127.03913	22.0
129.01884	1.4
129.06995	1.9
130.64696	1.2
131.08572	44.8
133.10133	77.6
135.08064	3.7
135.11690	6.3
137.05907	2.0
143.08556	4.2
144.09349	2.5
145.04941	9.1
145.10132	11.7
147.08086	1.3
147.11676	10.9
149.09627	4.5
149.13298	5.7
151.11189	4.4
153.09142	2.1
156.09334	1.8
158.10924	6.3
159.02905	7.6
159.07906	1.3
159.11621	1.4
163.14854	7.5
171.11673	4.9
173.13268	100.0
175.14835	14.8
183.11726	2.3
189.01913	1.8
189.12761	1.4
191.14307	73.6
208.16928	1.6
209.15439	15.1
209.17329	2.8
230.23294	1.4
231.04984	5.4
281.98676	1.4
294.05280	2.8
295.06134	2.2
297.07562	3.7
307.06094	8.5
308.06903	2.1
313.06866	1.9
325.07031	13.2
337.07007	6.9
351.08597	1.6
353.06482	2.8
355.08035	2.3
365.10364	1.5
367.08044	1.7
379.08130	3.2
393.09561	2.8
421.09201	4.0
439.10303	10.0
439.25180	4.4
457.11200	4.4
457.24390	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43631	1.0
53.03936	5.0
55.01858	4.6
55.05520	5.1
57.03160	1.1
57.03429	4.1
57.07063	3.2
57.74758	1.1
59.04994	1.5
61.02921	2.5
65.03934	3.2
67.05501	5.3
68.99792	1.6
69.03432	12.5
69.07063	5.9
70.06578	4.7
71.04983	4.0
71.55721	1.8
72.08154	1.0
73.02909	1.7
79.05061	1.5
79.05492	20.1
81.03054	1.1
81.03423	12.4
81.07056	48.5
83.04965	4.6
83.08618	5.9
85.02431	1.5
85.02908	22.4
85.06528	2.9
86.09728	1.2
87.00832	10.0
87.04472	1.5
91.05485	8.7
93.07039	9.7
95.04986	9.3
95.08604	6.9
97.02894	8.5
97.06539	6.2
99.04459	6.3
99.08113	1.3
100.11270	5.1
101.11556	2.1
105.01865	4.8
105.07019	10.8
107.04980	1.2
107.08578	12.3
109.02893	11.7
109.06516	100.0
109.10153	10.0
111.04446	2.4
111.08086	5.0
117.06979	2.1
119.04939	2.6
119.08580	4.2
121.02872	13.3
121.06478	2.0
121.10149	8.5
123.08076	5.6
123.11710	5.9
125.04270	1.3
125.09604	1.3
127.03920	18.3
129.01781	2.0
131.08560	17.0
133.10130	57.6
135.04428	1.3
135.08049	15.4
135.11670	2.2
138.29840	0.9
139.07532	1.7
139.11205	2.3
143.08588	1.3
145.02824	2.2
145.04982	4.6
145.10161	5.2
147.04440	1.4
147.08003	1.4
147.11690	4.3
149.09645	2.8
149.13275	7.9
151.11093	1.8
153.09102	6.7
158.10945	3.6
159.02928	3.6
161.02385	1.3
161.06050	1.2
161.13231	1.2
163.03871	2.3
163.14850	2.0
165.09119	1.5
165.12743	1.8
167.14345	3.2
173.13264	30.7
173.14688	2.0
176.01250	1.2
177.01773	1.5
177.05496	1.2
179.03419	2.7
189.01833	5.2
191.03406	1.3
191.14305	67.4
195.02847	1.6
203.03456	2.1
207.02898	4.1
209.15370	40.0
211.15387	1.4
213.04013	1.4
219.03004	1.4
231.02823	1.4
231.05006	3.3
233.04422	1.3
243.17093	2.1
257.04544	1.4
267.06479	1.8
268.07285	4.7
269.08139	1.1
279.06516	3.1
281.08054	1.6
291.06561	1.0
293.08087	2.9
294.05194	5.2
295.06009	14.6
295.09128	1.4
296.06760	4.4
297.07544	8.2
297.74255	0.9
307.06003	21.5
308.06726	9.2
309.07541	4.4
313.06906	3.0
319.06143	2.3
321.07736	7.1
322.04877	1.2
322.08270	5.2
323.09119	3.4
325.07056	58.7
326.07626	1.8
333.07751	2.3
335.09201	1.5
336.06293	2.6
337.07034	27.7
337.11093	1.4
339.08688	1.9
347.09500	2.0
349.07114	4.4
350.07678	1.0
351.04828	1.7
351.08636	14.8
353.06589	13.2
355.08237	1.4
365.06332	1.6
365.10223	5.4
367.08093	3.3
375.08508	4.1
377.06714	3.5
379.08139	26.3
379.12732	2.0
391.08063	4.2
393.09863	5.5
395.07831	2.0
403.08118	9.7
409.09171	8.5
421.09210	17.1
436.53531	1.2
439.10242	34.7
439.19781	2.5
439.34442	1.5
456.35144	3.6
457.11270	35.9
457.20258	2.2
457.35739	7.4
458.12192	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35654	0.7
53.03936	2.0
55.01861	2.9
55.05522	0.8
57.03435	1.7
59.05003	2.5
60.56723	0.8
61.02924	2.2
62.21135	0.8
65.03930	1.1
67.05505	2.7
67.18468	0.7
68.99783	1.0
69.03426	6.1
69.07085	0.8
70.06593	1.3
71.04987	1.9
71.56970	0.8
71.57330	0.9
72.08121	1.0
73.02915	2.9
79.05502	2.3
81.03433	6.2
81.07043	1.7
83.04995	1.2
85.02908	16.4
85.06527	1.0
86.09692	1.3
87.00833	5.2
87.04464	1.2
89.06042	4.8
91.03999	1.0
91.05487	5.2
93.03398	2.2
93.07047	2.9
95.04941	1.2
95.08607	14.5
97.02910	4.7
97.06538	4.6
98.97594	1.9
99.04459	5.2
99.08095	1.3
102.05563	1.0
105.01899	4.3
105.03410	1.4
105.07040	8.7
107.04962	2.7
107.08573	3.7
109.02905	7.0
109.06517	1.4
109.10203	2.5
115.05427	1.3
117.01835	0.9
117.05506	2.4
117.06973	1.0
117.78001	0.8
119.04936	3.9
119.08612	2.9
120.05738	0.8
120.08094	0.9
121.02882	26.7
121.06506	0.9
121.10138	4.4
123.04497	0.9
123.11716	1.0
127.03930	8.2
129.01863	1.3
129.07056	0.9
131.04956	0.9
131.08597	4.0
133.02864	1.2
133.08530	2.6
133.10141	100.0
134.10495	1.0
135.04428	1.8
135.08081	1.2
135.11710	1.5
137.02405	0.8
137.06012	0.9
143.08566	1.8
145.02852	4.7
145.04980	3.9
145.10126	2.3
147.04449	2.8
147.11664	1.2
148.06129	1.2
149.05995	1.3
149.09618	4.4
149.13239	1.2
151.03896	1.9
151.11191	2.3
153.05521	1.3
153.52776	0.9
158.10910	2.5
158.99666	1.0
159.02942	2.5
161.02371	3.1
161.05965	1.3
163.03922	2.5
163.14848	2.6
165.01860	1.2
173.05957	1.3
173.13283	25.4
175.03922	2.4
176.01158	0.9
177.01907	1.4
177.05316	0.7
179.03398	4.9
181.04965	0.7
187.04019	1.4
189.01866	11.3
190.02711	1.8
191.03375	4.3
191.14320	20.4
195.02959	1.4
197.04501	1.1
201.01874	1.9
201.05615	0.9
203.03448	5.5
205.05029	1.7
207.02914	8.4
209.15401	6.4
211.04042	1.3
215.03416	1.4
219.02995	4.2
229.05002	1.9
231.03004	1.9
231.04976	1.7
233.04474	1.8
247.06152	1.3
251.07126	1.8
256.07739	0.7
257.04413	1.9
267.06586	5.0
268.07382	5.5
269.08133	1.0
279.06549	5.0
280.07336	2.5
281.08157	2.7
283.06003	7.5
284.06677	3.0
285.04422	0.9
291.06638	1.3
292.07358	1.0
293.07904	4.6
294.05283	14.8
294.08630	1.9
294.72495	0.8
295.06042	19.7
295.09396	1.3
296.06717	5.6
297.07556	19.3
297.10858	1.4
298.08319	2.4
305.08286	0.9
307.06012	49.0
308.06796	20.4
309.07562	9.2
310.04663	0.9
310.08267	0.8
313.07007	6.2
319.06125	6.1
320.06888	2.3
321.07571	16.1
321.11209	1.2
322.08530	3.6
323.05701	1.3
323.09213	4.8
325.07083	63.1
326.07657	5.6
333.07730	2.3
335.05566	3.2
336.06259	9.7
336.09888	1.4
337.07083	61.0
338.07562	1.1
339.08646	8.4
347.09216	5.2
349.07092	9.3
350.07983	3.6
351.08676	21.7
353.06625	15.1
355.08139	4.8
361.07306	1.1
363.08835	1.0
365.06540	5.9
365.10406	9.5
367.08154	10.4
375.08655	7.9
377.06567	7.8
379.08167	25.2
383.07672	1.1
391.08270	2.0
393.09732	19.6
395.07654	6.5
403.08224	7.4
409.09088	1.9
411.10760	2.6
421.09167	37.4
422.09595	1.0
439.10287	64.2
439.25156	2.5
440.10757	1.7
457.11319	60.2
457.24487	2.7
458.11108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14724	0.7
53.03949	2.3
55.01885	2.3
55.05518	1.0
57.03445	2.8
58.44384	0.7
59.05008	0.8
61.02938	1.1
65.03956	1.8
67.05521	2.0
68.99796	1.5
69.03434	5.7
69.07085	1.0
70.06598	1.5
71.04998	1.4
71.20953	0.7
71.56982	0.9
73.02943	2.5
75.67236	0.8
79.05507	2.5
81.03416	8.0
81.07078	1.6
83.05003	2.0
85.02914	15.0
85.06586	0.9
86.09715	1.6
87.00826	5.5
87.04482	1.5
91.05482	5.4
93.03422	2.7
93.07061	4.5
95.04963	1.8
95.08610	18.3
97.02903	5.0
97.06539	3.8
98.97610	3.8
99.04475	3.0
99.08086	1.1
105.01894	3.9
105.03424	0.9
105.07057	7.6
107.04961	1.8
107.08613	5.1
109.02905	6.3
109.06503	0.9
109.10174	2.3
111.04421	1.2
112.99133	0.9
116.98624	1.2
119.04959	6.3
119.08609	4.0
121.02880	21.2
121.06536	1.1
121.10163	5.8
122.41896	0.8
123.08089	0.9
127.03931	9.5
129.07060	0.8
131.08589	6.5
133.02870	1.0
133.10143	100.0
134.10484	1.3
135.04416	1.3
135.08000	1.1
135.11685	2.3
137.02405	1.3
137.06024	1.4
143.08568	1.1
145.02844	4.2
145.04964	3.3
145.06577	0.9
145.10133	2.4
147.04457	1.2
147.11719	2.1
149.02350	1.1
149.09660	1.8
149.13287	3.6
151.03876	1.4
151.11247	1.9
158.10916	3.2
158.99651	1.3
159.02910	3.3
161.02367	3.4
163.03941	1.8
163.14799	3.5
165.01924	1.0
167.03397	1.0
173.02371	1.4
173.13284	27.0
175.03944	1.5
175.14877	1.4
176.01077	1.9
177.01985	1.5
177.05443	1.3
179.03421	8.3
181.04890	1.0
181.08656	1.0
187.03932	2.0
189.01843	15.5
190.02599	1.9
191.03453	4.9
191.14331	21.1
194.02252	1.1
195.02983	1.3
197.04404	1.9
201.05383	1.1
203.03444	3.6
205.19466	1.0
207.02916	10.2
209.15416	6.8
215.03430	0.8
219.03009	4.0
221.04646	0.9
225.03842	1.3
229.04770	1.8
231.02864	1.4
231.05020	1.8
233.04340	1.0
237.02786	1.2
247.02365	0.8
251.07089	1.4
259.02319	1.1
259.95358	0.8
263.07288	0.8
267.06503	4.9
268.07288	5.5
269.08099	2.2
275.05362	0.9
279.06491	6.0
280.07303	1.6
281.08090	4.1
283.06030	3.1
284.06723	4.0
285.03400	0.9
291.06592	0.9
293.08020	2.8
294.05246	19.0
295.06046	18.8
295.09363	1.5
296.06851	6.1
297.04285	1.6
297.07596	28.3
298.08237	2.2
301.73224	0.8
305.08038	0.8
307.06024	54.1
308.06750	16.9
309.07568	6.6
310.04816	0.9
313.06964	5.9
314.39609	0.8
319.06107	7.7
320.06442	1.4
321.07596	10.2
322.08206	4.0
323.05154	1.0
323.08685	2.1
325.07083	79.2
326.07764	9.2
331.28491	0.9
333.07385	3.3
335.05377	3.2
336.06146	2.6
337.07077	75.2
338.07388	1.5
339.08456	3.4
347.09039	3.4
349.07013	6.7
350.07590	1.1
351.04831	1.2
351.08649	11.0
353.06537	17.6
354.07068	2.1
355.08295	5.4
361.06949	4.3
365.06366	3.2
365.10538	4.8
367.08066	7.5
373.07132	1.0
375.08618	2.6
377.06442	6.2
379.08136	21.8
385.07379	1.0
390.13150	1.1
391.08014	2.8
393.09668	10.3
395.07516	2.9
403.08084	5.3
408.14191	1.3
409.08878	3.4
411.10620	2.4
421.09201	27.8
426.15308	1.8
439.10281	57.5
439.24637	3.8
457.11050	31.2
457.24701	4.2
458.11722	1.3
458.17990	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	456.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.5
55.05471	1.2
57.03397	0.8
67.05462	1.0
67.74731	0.3
69.03370	0.4
69.07037	0.8
70.06548	1.2
70.80984	0.9
72.08128	0.7
79.05454	0.9
81.03365	0.4
81.07007	1.2
84.08099	0.4
85.02859	0.4
86.09688	0.7
91.05496	1.9
93.07036	0.5
95.08565	0.6
96.08088	0.3
97.06528	3.4
103.05422	0.5
105.07014	0.7
106.06557	0.3
109.06436	0.5
110.74969	0.3
115.03890	0.7
116.07077	0.5
117.06956	0.4
119.04967	1.7
119.08534	0.4
121.02821	0.5
121.10150	0.3
123.04370	1.0
127.03873	0.7
129.01837	0.4
129.06982	0.5
131.04889	1.2
131.08562	0.5
132.08038	0.3
133.06439	0.3
137.05042	0.5
137.05997	6.5
138.62798	0.3
141.86853	0.3
143.04948	0.6
145.06454	1.0
147.04425	1.8
148.05096	0.5
149.05975	2.5
151.07536	0.7
157.01306	0.6
157.06456	0.8
160.07520	0.6
161.05975	1.8
162.05504	2.6
162.09206	0.4
163.06290	0.5
163.07532	0.8
164.07082	12.5
171.08029	0.4
173.06012	3.1
175.07506	1.5
176.07071	1.9
177.07866	26.1
178.08661	2.1
184.07407	0.3
186.09164	0.4
187.07541	1.1
189.03889	0.6
189.09154	2.5
190.08621	1.9
191.09286	0.5
192.06754	0.4
192.10181	0.4
199.07513	0.6
201.09023	0.6
202.08765	0.4
204.10121	0.6
206.11795	0.4
211.51276	0.4
213.09187	0.4
233.11800	3.0
246.18463	0.6
250.14375	1.3
256.16901	0.6
274.18024	11.9
284.16400	0.7
300.16028	0.5
302.17511	18.3
303.17902	0.3
320.18594	24.7
325.06955	1.3
337.07089	0.9
346.20029	0.3
353.06430	0.3
376.21176	3.1
379.08365	0.7
394.22275	100.0
395.22693	2.0
412.23013	0.4
421.09683	0.5
421.15222	0.5
438.24924	48.7
439.10577	0.6
439.25406	0.9
456.10583	0.6
456.18634	4.4
456.25961	7.5
457.11050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3524
Annotation	Krukovine A
Peak:m/z	Relative Intensity
52.50442	1.3
55.05500	2.2
57.07061	5.1
67.05495	2.9
69.07052	4.5
71.08604	2.5
71.11100	1.2
71.57172	1.6
73.02939	1.2
78.21747	1.2
79.05474	3.8
81.07076	7.3
85.06547	1.7
85.10217	1.4
89.06021	3.1
91.05486	3.6
93.07044	8.5
95.04975	2.0
95.08612	9.9
97.06541	2.6
105.07043	8.9
107.08598	14.3
109.06548	1.4
109.10167	7.9
111.08111	1.3
119.08586	20.0
121.06532	1.7
121.10144	8.0
123.08114	1.4
123.11716	4.0
125.05994	5.8
131.08589	2.3
133.08586	1.9
133.10120	16.3
135.08061	3.2
135.11703	17.0
137.09631	2.2
139.07530	3.7
141.82652	1.2
143.08588	3.2
145.00073	1.2
145.10138	7.8
147.11717	8.8
149.09659	1.7
149.13194	3.3
151.11229	1.7
157.10197	2.7
159.08075	1.9
159.11697	3.0
161.09633	2.4
161.13304	3.2
163.14816	4.5
169.10138	1.4
171.11685	1.8
173.09592	5.9
173.13226	1.6
175.11200	5.7
177.09164	2.6
183.11722	1.9
187.11250	7.7
187.14902	4.4
189.16396	38.3
191.10683	3.3
197.13219	2.5
205.15938	5.2
207.17455	72.0
211.14847	2.8
213.16444	1.8
215.14313	14.7
229.15889	70.0
231.17482	9.6
233.15344	24.7
243.17500	4.9
247.16949	21.1
257.19034	1.6
283.20596	3.7
353.22931	1.4
419.33112	1.9
437.34192	27.9
455.35233	100.0
456.35217	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	455.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.4
57.03428	1.7
57.07080	89.0
58.04211	4.6
59.04748	2.1
59.05009	30.3
63.14030	1.5
67.05499	2.1
69.07053	5.6
70.12621	5.5
70.93073	1.5
71.08639	100.0
72.05764	6.0
72.09000	1.5
73.02896	3.5
73.06546	4.9
74.06082	1.5
81.07062	3.9
82.07847	2.5
83.08627	5.1
85.10188	87.7
87.04487	10.4
87.08115	2.8
88.05244	2.7
88.07637	11.9
89.06039	14.9
90.01923	32.1
93.07027	1.6
95.08605	4.1
96.09409	2.0
97.10187	2.3
99.11736	8.5
102.06770	1.5
103.07588	6.4
107.07093	1.9
107.08603	1.9
109.10144	2.2
111.11723	1.8
116.08399	2.6
117.09116	6.2
121.10123	1.9
123.11646	1.9
127.14806	2.7
133.08607	5.0
138.14055	5.4
141.16396	12.5
169.15900	5.2
178.07121	3.1
185.18994	4.4
198.19835	2.7
199.20601	11.8
214.94209	1.8
222.09743	6.3
228.81844	1.5
240.10793	6.7
242.24846	5.0
243.23239	5.4
284.13431	3.4
316.54672	1.5
437.34262	2.1
438.30405	1.8
455.33762	5.7
455.45602	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	455.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21368	4.9
55.05501	8.5
57.03432	10.5
57.07078	59.9
58.07395	8.9
59.05011	38.7
61.02931	27.1
67.05493	26.0
69.03421	6.4
69.07083	9.8
70.78490	8.3
70.78830	9.9
71.08633	100.0
72.08952	15.0
73.02910	13.0
79.05490	12.9
81.07066	35.7
83.08604	8.2
85.02908	21.5
85.10183	55.6
86.10490	9.9
89.06030	33.1
90.06355	5.0
91.03951	19.7
91.05455	12.6
93.07030	15.6
95.08610	27.7
97.02900	23.4
105.07019	8.0
107.08598	4.5
109.10138	12.0
113.58147	4.5
117.09145	8.7
119.08547	7.9
121.10124	9.8
122.73591	4.9
123.11687	7.7
127.03873	7.1
127.14826	9.1
128.15161	5.3
133.03419	6.0
133.08603	13.1
133.10083	4.5
138.06474	4.8
143.01912	6.7
147.11617	6.4
149.13213	5.0
155.01859	10.4
159.11693	5.3
169.07004	4.5
173.02948	7.9
175.04445	5.8
177.11308	10.3
185.18929	21.4
186.19305	8.4
187.04486	5.8
195.12170	7.4
196.04536	5.2
213.09738	7.9
233.10406	6.1
235.09950	15.9
243.14410	5.2
243.23256	7.0
244.10445	10.0
244.23567	10.0
245.05019	4.1
251.11319	32.2
252.11438	5.8
255.61259	7.5
267.16064	6.3
269.12421	55.9
279.22943	5.8
287.13443	41.2
292.13983	9.2
301.20016	6.3
311.13467	8.7
316.12604	36.5
316.62827	8.6
325.14832	6.7
327.86548	5.1
335.25861	9.4
350.17453	6.5
368.15146	4.8
374.21225	10.9
437.34186	7.3
438.34872	7.2
455.23883	8.2
469.18741	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	455.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21368	4.9
55.05501	8.5
57.03432	10.5
57.07078	59.9
58.07395	8.9
59.05011	38.7
61.02931	27.1
67.05493	26.0
69.03421	6.4
69.07083	9.8
70.78490	8.3
70.78830	9.9
71.08633	100.0
72.08952	15.0
73.02910	13.0
79.05490	12.9
81.07066	35.7
83.08604	8.2
85.02908	21.5
85.10183	55.6
86.10490	9.9
89.06030	33.1
90.06355	5.0
91.03951	19.7
91.05455	12.6
93.07030	15.6
95.08610	27.7
97.02900	23.4
105.07019	8.0
107.08598	4.5
109.10138	12.0
113.58147	4.5
117.09145	8.7
119.08547	7.9
121.10124	9.8
122.73591	4.9
123.11687	7.7
127.03873	7.1
127.14826	9.1
128.15161	5.3
133.03419	6.0
133.08603	13.1
133.10083	4.5
138.06474	4.8
143.01912	6.7
147.11617	6.4
149.13213	5.0
155.01859	10.4
159.11693	5.3
169.07004	4.5
173.02948	7.9
175.04445	5.8
177.11308	10.3
185.18929	21.4
186.19305	8.4
187.04486	5.8
195.12170	7.4
196.04536	5.2
213.09738	7.9
233.10406	6.1
235.09950	15.9
243.14410	5.2
243.23256	7.0
244.10445	10.0
244.23567	10.0
245.05019	4.1
251.11319	32.2
252.11438	5.8
255.61259	7.5
267.16064	6.3
269.12421	55.9
279.22943	5.8
287.13443	41.2
292.13983	9.2
301.20016	6.3
311.13467	8.7
316.12604	36.5
316.62827	8.6
325.14832	6.7
327.86548	5.1
335.25861	9.4
350.17453	6.5
368.15146	4.8
374.21225	10.9
437.34186	7.3
438.34872	7.2
455.23883	8.2
469.18741	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	454.2932
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
52.86016	0.6
55.05499	2.1
56.95790	0.7
56.96550	1.4
57.03446	4.5
57.07080	24.3
57.74327	0.6
61.02898	0.6
62.05793	1.3
62.06094	22.2
62.06412	1.4
67.05507	3.7
69.07081	3.5
69.82745	3.5
71.08636	16.4
81.07059	6.3
83.08623	3.7
85.09723	1.1
85.10195	11.9
87.04451	1.0
89.06030	2.1
93.07026	0.7
95.08611	9.1
97.10165	2.6
98.98494	5.4
103.07593	0.8
109.09502	0.9
109.10160	4.5
123.11721	1.5
124.01601	1.4
133.08583	2.1
133.80431	0.6
137.13268	0.7
155.01031	5.9
177.11269	0.7
183.11880	0.7
184.07375	0.8
198.05298	1.0
209.11453	0.7
216.06361	3.0
228.98160	0.7
239.23639	1.6
282.27924	11.9
313.27380	100.0
314.27704	1.4
349.15860	1.0
388.71155	0.8
393.23996	6.9
422.87930	0.7
428.14478	0.7
436.28198	5.4
437.34915	1.0
454.29047	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	455.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83821	0.6
51.99767	0.6
71.55373	0.7
71.55721	0.8
88.27055	0.6
94.93015	2.2
112.89610	66.8
114.89338	8.3
116.89148	1.9
148.90259	0.7
155.12421	0.7
202.89149	1.8
208.97250	5.2
226.86780	0.8
226.97076	0.7
228.86417	0.7
244.90298	0.7
284.83765	1.0
304.89001	0.6
323.54208	0.7
344.85803	0.8
378.98514	0.8
380.99466	1.4
455.11639	100.0
456.11478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.4
57.03432	2.0
57.07079	100.0
59.05003	41.2
64.79056	1.1
69.07079	4.2
69.29807	8.8
71.08635	98.6
73.02921	41.4
73.03239	0.9
81.02551	0.9
81.07061	1.1
83.08617	2.5
85.10187	91.4
87.04480	2.7
87.08116	3.9
89.06039	9.9
95.27692	1.1
97.10187	1.8
99.11724	11.9
101.06042	2.1
101.09667	3.1
103.07579	6.9
111.11649	1.1
113.13283	1.9
117.09137	9.7
133.08611	5.6
141.16393	10.3
150.71548	1.1
151.09647	1.6
155.17969	5.3
163.92650	1.1
175.13319	1.7
177.11276	2.3
179.09204	2.1
185.19012	4.5
195.12265	3.0
199.20590	13.3
199.22406	1.3
200.09482	1.0
205.10750	2.4
213.22177	4.2
219.12230	1.6
219.91591	1.0
237.13333	1.6
239.14931	3.0
240.23332	1.1
243.23259	9.5
253.16553	2.0
257.24786	8.6
301.27365	3.8
350.24521	1.0
407.33694	3.8
435.37039	2.9
452.35678	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	452.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
57.03414	2.4
57.07078	87.9
59.05006	50.9
62.99535	1.1
69.07064	2.4
70.08662	1.2
70.55146	1.3
71.08636	100.0
73.02924	20.1
73.06561	1.3
82.34625	1.2
83.08634	2.6
85.10186	76.0
87.04446	1.3
87.08088	2.6
89.06042	10.5
97.10157	1.7
99.11732	9.5
101.06022	3.2
101.09644	2.7
103.07607	6.9
113.00031	1.6
113.13309	3.0
117.05470	2.0
117.09131	16.8
127.14822	3.6
133.08623	3.9
141.16356	2.9
145.54979	1.2
155.17946	10.7
169.02654	2.7
175.13213	3.2
177.11230	2.2
185.19023	11.8
195.12265	4.8
205.10693	4.3
213.22063	6.1
223.11723	2.1
239.14787	2.6
243.23209	17.2
253.16428	1.8
255.15929	1.3
257.24741	4.1
271.26501	1.7
301.27350	2.1
340.29248	2.6
407.33694	3.3
435.37183	7.1
452.35898	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16502	1.3
53.95400	1.3
55.05512	12.2
57.03430	6.5
57.07080	8.0
59.04993	1.2
63.98209	1.2
64.48553	1.4
66.92384	1.3
67.05505	7.5
69.07074	16.0
70.86483	3.8
71.08633	4.1
79.05492	5.4
81.07067	9.5
83.08631	12.4
85.10223	1.6
89.06036	2.7
93.07067	6.7
95.08625	9.1
97.06544	2.7
97.10164	6.4
98.27454	1.5
107.08600	4.1
109.10185	4.5
111.08055	1.7
113.00025	93.4
121.10143	5.1
123.11601	1.5
135.11691	4.0
149.13234	1.8
169.02623	100.0
187.03642	2.0
265.25208	4.1
339.28943	47.1
433.26959	3.2
451.31540	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	452.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.3
55.01874	11.1
57.03423	7.0
61.02930	7.7
67.05504	1.7
68.99776	6.3
69.03082	2.7
69.03434	42.7
69.07057	2.3
70.10199	8.0
71.04986	5.6
73.02925	7.8
81.03426	51.6
81.07040	3.6
85.02908	72.3
87.00838	30.8
87.04472	42.7
91.03956	4.0
95.08576	1.7
97.02901	23.7
98.77310	1.6
98.97578	1.5
99.04465	15.7
105.01262	2.1
105.01881	17.2
109.02888	37.6
115.03893	1.9
115.73791	1.7
117.01839	5.8
117.05741	2.4
118.06548	25.9
123.11845	1.7
127.03931	62.6
129.01814	4.7
130.06535	33.8
132.08060	3.4
137.05969	2.2
144.08066	2.7
145.04980	20.8
147.02881	2.2
149.02380	2.7
156.08044	3.7
157.31120	1.9
158.09668	2.5
159.02904	28.3
159.06757	2.5
160.07585	12.0
167.07283	4.9
168.08112	16.5
169.15775	1.5
170.09605	2.5
172.07494	1.8
180.08057	3.2
182.09673	9.3
184.07544	4.4
186.09145	22.6
198.09169	18.5
200.10756	11.9
204.10229	42.6
210.09117	4.4
212.10762	2.9
216.10217	65.9
221.39558	1.6
224.10655	2.2
225.07765	1.7
228.10176	12.5
231.05008	10.1
238.12245	1.9
240.10249	4.3
242.11815	3.3
244.09552	3.8
246.11275	100.0
252.10138	2.9
256.09747	4.1
256.13385	2.0
258.11462	4.1
266.11783	7.1
270.11267	6.9
284.12726	7.8
294.11307	15.6
312.12314	33.6
330.13657	5.0
333.67026	1.5
349.74106	1.6
372.14301	5.0
390.15469	2.2
398.12125	2.6
416.13422	29.7
434.14465	27.2
452.22986	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	450.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81453	2.2
57.03433	4.2
57.07078	100.0
59.05002	50.7
70.80189	2.7
70.80520	5.3
71.08633	81.6
85.10187	62.5
85.10658	5.0
87.04474	30.0
99.11739	15.9
113.13319	4.2
117.09147	19.6
155.17984	10.1
155.59352	2.6
171.10851	2.3
213.22154	13.0
271.26331	14.2
300.05688	4.2
450.33981	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	451.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46668	0.7
66.18732	0.7
69.93774	3.1
71.09529	0.6
71.12888	0.7
72.68581	0.6
74.43932	0.6
123.04462	0.7
145.14774	0.8
154.80836	0.7
164.07002	1.0
202.89818	0.7
251.79233	0.7
391.02557	1.3
433.03531	1.1
451.04877	100.0
452.05203	1.0
461.26874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20470	1.0
56.96563	4.3
58.68021	1.2
61.35545	1.0
65.86491	1.1
69.54945	7.9
91.05486	1.5
95.96811	1.2
98.97574	4.6
99.22361	1.0
101.00909	1.4
110.76473	1.3
114.10098	1.1
128.98544	1.3
134.02034	1.1
137.05991	3.7
163.27676	1.3
164.07019	1.4
172.97620	1.3
186.99031	1.1
189.02570	1.4
237.02783	1.6
248.99086	1.5
263.00711	1.7
289.12622	1.4
317.72604	1.4
330.99692	1.5
339.51093	1.6
451.04874	100.0
451.17944	3.2
452.05945	1.5
471.39813	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92952	0.9
53.03947	4.8
55.01885	5.9
55.05496	2.5
56.96562	1.8
57.03445	5.9
57.07069	2.5
59.04989	1.2
61.02935	5.7
63.71851	0.8
67.05501	5.2
68.99781	1.2
69.03087	1.4
69.03433	21.2
69.07073	6.6
71.05018	5.5
71.26184	2.0
73.02921	8.9
79.05522	4.6
81.02982	1.7
81.03423	21.4
81.07057	7.5
83.08609	1.1
84.04471	0.9
85.02911	57.1
85.06509	1.0
85.59036	0.8
87.00838	25.3
87.04468	4.0
91.03936	2.4
91.05499	5.9
93.06470	1.4
93.07047	23.0
95.04973	5.8
95.08607	8.1
97.02896	36.4
98.97591	1.9
99.04467	11.2
103.03927	1.4
103.05508	1.2
105.01186	1.7
105.01874	31.4
105.07025	3.0
107.08605	21.1
109.02885	23.6
109.10139	2.6
115.03934	1.1
117.01838	2.5
117.05721	1.0
117.06990	1.7
118.06545	3.2
119.08562	1.6
121.06470	1.4
121.09326	1.9
121.10155	28.6
122.06020	2.1
123.04380	1.4
123.11730	8.2
127.03925	46.9
129.01834	3.2
131.04970	0.9
131.07326	2.1
132.08115	1.9
133.08653	1.0
133.10133	1.3
135.04411	1.2
137.02362	2.4
137.05965	2.8
145.04968	27.4
145.10094	1.2
147.02878	1.6
147.04436	1.1
149.06046	1.2
149.13266	100.0
151.14874	2.3
159.02911	9.6
160.11183	1.9
162.09140	1.1
164.07039	4.3
165.01857	2.0
165.12747	12.4
166.02205	1.6
167.14326	26.1
175.07564	0.9
177.05460	2.2
183.02975	0.9
201.12904	1.1
213.03943	2.5
231.04996	12.0
237.02859	1.1
244.20662	1.6
249.06049	3.7
272.20074	14.4
284.06085	1.4
287.05475	1.4
287.10251	2.2
288.05823	2.9
288.10593	5.2
290.21204	1.1
298.07779	1.5
299.05530	7.5
300.05865	22.2
301.06561	4.2
310.07733	1.2
312.05774	2.4
314.07437	1.5
326.07379	6.1
329.06558	4.6
329.11215	1.0
330.06879	20.6
334.23627	4.2
340.09122	5.5
346.23782	1.4
354.06937	8.6
364.24713	1.2
366.06583	2.6
369.24060	1.9
378.06860	1.3
384.07999	6.6
396.07867	4.6
408.27606	1.9
414.09186	6.6
419.24225	1.1
432.10190	6.8
450.11298	6.5
450.28369	29.4
450.76633	2.5
478.22794	1.2
478.42834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
54.92771	2.7
55.01862	3.1
55.05513	5.9
56.96555	4.5
60.49679	2.6
61.02937	3.8
65.29787	2.5
67.05499	9.6
69.03439	16.7
69.07072	10.4
69.50812	2.5
69.51155	18.5
70.06602	14.4
71.01359	2.9
71.04993	10.1
71.86654	2.3
79.05490	10.8
81.03426	16.4
81.07060	26.3
83.04963	14.9
83.08620	3.7
85.02914	15.8
85.06506	3.3
86.09716	4.4
91.05489	15.7
93.07056	26.6
95.04980	12.7
95.08639	14.1
97.02885	11.6
97.06540	20.7
98.97604	3.7
99.04466	9.2
105.07027	23.8
107.04975	5.5
107.08603	21.3
109.02888	18.3
109.06534	18.2
109.10169	4.6
111.04366	3.7
111.08070	11.7
118.06561	3.9
119.04896	3.7
119.08588	15.4
120.80547	2.6
121.06499	33.4
121.10149	7.6
122.06002	5.2
123.04463	6.6
123.08117	4.7
125.05994	17.4
127.03932	18.2
127.07536	4.4
129.07120	2.7
130.06636	2.8
131.08554	4.9
133.06496	3.0
133.10141	13.2
135.04373	5.1
135.08058	8.0
135.11729	3.2
137.02350	3.1
137.05962	10.0
138.02658	3.2
139.07538	10.5
143.07053	15.1
143.08609	2.7
145.10133	5.8
146.06059	3.7
147.08009	3.5
147.11699	32.4
151.11237	3.4
153.01830	3.1
153.09113	2.9
157.08598	8.3
157.10051	9.5
159.08049	3.3
161.02423	2.6
161.13272	7.1
163.11143	3.6
164.07080	6.2
165.01828	7.2
165.12770	11.6
166.02235	2.6
169.12285	9.2
171.11661	7.0
173.09589	3.2
175.11200	19.4
177.05559	3.4
181.10214	2.9
187.06067	5.9
189.12794	19.0
193.12288	18.8
199.11211	15.7
204.03308	2.5
205.07019	6.3
207.13725	7.0
211.13315	20.9
217.12254	47.2
229.14288	7.1
235.13322	80.5
253.14374	100.0
271.15439	25.5
284.06277	4.8
287.05545	17.6
288.05899	37.6
288.08878	4.9
289.16479	6.4
298.07748	4.6
299.05545	18.2
300.05832	54.5
301.06720	5.2
302.63925	5.3
312.05908	6.4
325.07022	4.3
326.07385	13.2
329.06473	13.1
330.06912	53.3
340.08960	11.2
350.07407	3.6
353.06503	5.0
354.07034	25.5
361.16168	6.8
366.06915	9.7
378.06885	6.0
379.17499	10.0
383.07712	3.8
383.12653	3.9
384.07944	20.7
396.07907	14.2
397.18814	22.3
414.08887	16.7
415.19717	14.3
432.10071	15.5
450.11188	25.1
450.17206	4.4
450.24765	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	450.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
54.92771	2.7
55.01862	3.1
55.05513	5.9
56.96555	4.5
60.49679	2.6
61.02937	3.8
65.29787	2.5
67.05499	9.6
69.03439	16.7
69.07072	10.4
69.50812	2.5
69.51155	18.5
70.06602	14.4
71.01359	2.9
71.04993	10.1
71.86654	2.3
79.05490	10.8
81.03426	16.4
81.07060	26.3
83.04963	14.9
83.08620	3.7
85.02914	15.8
85.06506	3.3
86.09716	4.4
91.05489	15.7
93.07056	26.6
95.04980	12.7
95.08639	14.1
97.02885	11.6
97.06540	20.7
98.97604	3.7
99.04466	9.2
105.07027	23.8
107.04975	5.5
107.08603	21.3
109.02888	18.3
109.06534	18.2
109.10169	4.6
111.04366	3.7
111.08070	11.7
118.06561	3.9
119.04896	3.7
119.08588	15.4
120.80547	2.6
121.06499	33.4
121.10149	7.6
122.06002	5.2
123.04463	6.6
123.08117	4.7
125.05994	17.4
127.03932	18.2
127.07536	4.4
129.07120	2.7
130.06636	2.8
131.08554	4.9
133.06496	3.0
133.10141	13.2
135.04373	5.1
135.08058	8.0
135.11729	3.2
137.02350	3.1
137.05962	10.0
138.02658	3.2
139.07538	10.5
143.07053	15.1
143.08609	2.7
145.10133	5.8
146.06059	3.7
147.08009	3.5
147.11699	32.4
151.11237	3.4
153.01830	3.1
153.09113	2.9
157.08598	8.3
157.10051	9.5
159.08049	3.3
161.02423	2.6
161.13272	7.1
163.11143	3.6
164.07080	6.2
165.01828	7.2
165.12770	11.6
166.02235	2.6
169.12285	9.2
171.11661	7.0
173.09589	3.2
175.11200	19.4
177.05559	3.4
181.10214	2.9
187.06067	5.9
189.12794	19.0
193.12288	18.8
199.11211	15.7
204.03308	2.5
205.07019	6.3
207.13725	7.0
211.13315	20.9
217.12254	47.2
229.14288	7.1
235.13322	80.5
253.14374	100.0
271.15439	25.5
284.06277	4.8
287.05545	17.6
288.05899	37.6
288.08878	4.9
289.16479	6.4
298.07748	4.6
299.05545	18.2
300.05832	54.5
301.06720	5.2
302.63925	5.3
312.05908	6.4
325.07022	4.3
326.07385	13.2
329.06473	13.1
330.06912	53.3
340.08960	11.2
350.07407	3.6
353.06503	5.0
354.07034	25.5
361.16168	6.8
366.06915	9.7
378.06885	6.0
379.17499	10.0
383.07712	3.8
383.12653	3.9
384.07944	20.7
396.07907	14.2
397.18814	22.3
414.08887	16.7
415.19717	14.3
432.10071	15.5
450.11188	25.1
450.17206	4.4
450.24765	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	450.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59641	0.8
69.03317	0.8
69.74842	4.2
70.06529	0.7
74.02938	0.7
84.08073	0.8
97.02834	0.9
109.02862	0.8
131.26616	0.7
137.25267	0.7
147.04349	0.8
151.07426	1.1
158.99544	0.7
165.09100	0.7
176.06972	0.8
177.33594	0.8
178.08531	2.7
185.43193	0.8
203.64142	0.8
212.10629	1.1
214.08620	1.3
224.10628	2.2
226.12227	2.0
227.09306	1.7
229.10892	1.4
236.10748	6.6
237.11374	1.7
238.12244	4.4
239.13133	4.2
240.10228	9.8
242.09488	1.0
242.11765	12.4
248.10727	1.6
249.11491	2.2
250.08588	0.9
250.12141	1.3
251.09380	1.3
252.10147	3.2
253.10963	1.3
254.11839	7.8
255.12590	12.3
264.10223	22.0
265.11020	5.3
266.11749	7.0
267.12646	5.9
268.13376	3.7
269.10416	2.0
269.14078	3.0
270.11984	1.0
270.14911	30.0
280.13354	56.2
281.14032	2.0
282.11288	5.2
282.14893	13.5
283.11987	1.0
287.05374	0.9
296.12811	2.6
297.13654	2.2
298.14392	54.0
299.05542	2.2
299.14609	1.1
300.05807	6.2
312.05801	1.3
312.15912	20.5
326.07376	1.1
329.06674	0.9
330.06909	5.0
330.17029	100.0
331.17184	1.4
338.07559	1.0
340.09164	1.0
354.06989	2.5
384.08020	2.1
396.08078	1.7
414.09259	1.5
432.09845	0.9
450.09393	3.0
450.21378	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1762
Annotation	Lycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03944	0.5
53.62705	0.3
55.01868	0.6
57.03429	1.2
57.97396	0.3
61.02937	1.3
61.22027	0.2
65.44176	0.2
66.97855	0.2
69.03436	4.4
69.26904	2.5
70.06594	0.4
71.04987	0.6
73.02910	0.8
81.03429	2.1
81.07050	0.3
84.04491	0.3
85.02904	7.2
87.04462	0.9
91.03968	0.4
91.05490	1.0
97.02891	2.8
98.20776	0.5
99.04450	0.7
101.02461	0.3
105.07008	0.3
107.04899	0.3
109.02867	1.3
115.05457	4.1
118.06526	0.8
119.04921	0.8
122.72037	0.3
123.04435	19.2
124.03952	0.6
127.03922	1.6
129.97064	0.3
133.06548	0.5
135.04468	0.4
137.02373	0.4
137.05978	2.3
143.04930	7.7
145.04933	0.5
146.05995	0.4
147.04399	1.4
149.05983	0.6
161.05991	10.8
164.07072	100.0
165.07466	1.0
166.08632	0.3
178.08722	0.4
179.08537	0.6
191.81703	0.3
207.08090	1.0
225.09114	0.9
235.07544	0.4
243.10274	0.3
253.08647	1.1
259.12073	0.7
260.12241	0.5
261.12387	0.8
268.08240	0.3
269.08157	0.3
271.09637	7.2
287.05472	0.3
288.05792	1.0
288.08990	0.7
288.12296	13.1
289.12488	0.4
300.05994	0.4
330.06934	0.3
450.17590	68.2
451.17960	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1762
Annotation	Lycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03935	0.9
54.92775	0.5
55.01865	0.9
57.03424	2.0
58.50516	0.4
61.02938	2.3
69.03432	6.7
70.31306	1.8
71.04964	0.8
73.02905	1.0
81.03419	3.0
85.02910	12.7
87.04474	1.3
90.54351	0.5
91.03911	0.6
91.05483	1.9
95.04951	0.5
95.46567	0.4
97.02892	4.9
99.04457	0.9
101.02363	0.5
109.02885	1.2
115.05453	4.6
116.59138	0.4
119.04932	0.7
123.04432	40.1
127.03941	2.3
131.04930	0.8
133.06494	1.1
137.05986	4.1
143.04926	17.7
145.04965	1.1
147.04376	0.5
149.05977	1.4
152.07152	0.7
160.24988	0.5
161.05986	26.4
162.06796	0.5
164.07072	80.0
165.07504	0.6
172.57991	0.4
179.08643	0.8
184.61774	0.5
207.08090	1.9
210.06696	0.6
217.06247	0.5
225.09193	1.5
235.07587	2.0
253.08717	1.7
254.11743	0.9
271.09662	15.7
288.09033	0.8
288.12314	26.2
450.17603	100.0
451.17868	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05519	15.2
57.03444	10.8
57.07080	4.6
67.05508	34.2
69.06722	1.5
69.07072	18.3
69.42938	4.0
69.43363	3.2
71.08624	3.8
79.05492	9.4
81.07063	34.4
83.08624	12.1
85.10189	1.8
89.06052	3.0
91.05482	7.3
93.07044	10.8
95.08613	27.9
95.52431	1.0
97.06524	1.6
97.10165	5.6
98.98464	2.2
105.07034	2.1
107.08575	5.3
109.10175	11.0
111.08091	1.5
111.11687	1.2
113.00027	67.1
119.08582	4.3
121.10161	4.4
123.11700	4.6
133.08633	1.0
133.10143	4.3
135.04378	1.0
135.11705	2.6
137.00015	2.0
137.13263	2.0
147.11697	2.4
149.13261	2.0
154.02658	1.6
155.01115	2.4
161.13329	1.0
163.14842	1.7
169.02634	36.1
174.88657	0.9
175.14806	1.4
187.03696	4.9
208.91367	1.0
243.95206	1.2
245.22707	4.2
246.62596	1.0
261.69211	1.0
263.23691	7.1
275.58466	1.0
287.05585	1.3
299.05478	6.6
311.05743	1.3
313.27399	2.2
325.06912	1.2
329.06613	4.5
337.27386	100.0
339.08865	1.2
340.78781	0.9
353.06525	2.9
383.07483	2.1
383.56342	1.0
395.07758	1.2
413.08661	1.7
431.09454	1.6
449.10779	2.9
449.26474	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	449.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60827	0.5
53.03930	0.8
55.01857	1.0
57.03430	0.6
58.06574	1.6
58.53977	0.5
65.03911	2.0
67.05467	0.7
69.03409	1.4
70.06590	2.8
70.94029	0.4
71.56683	0.9
72.08116	1.1
79.05482	0.7
81.03391	1.4
81.07053	1.1
84.04472	0.5
84.08112	1.7
85.02895	1.3
86.09722	0.6
86.48409	0.5
90.57939	0.5
91.05486	50.9
94.06563	0.8
95.04439	0.8
95.04971	7.9
98.97548	1.1
99.04433	0.7
103.03921	0.7
105.07034	0.8
106.06557	1.3
107.04922	1.5
108.04336	0.5
108.05701	0.7
109.06538	0.8
110.07127	0.7
112.07580	0.6
116.07094	0.7
119.04949	34.5
120.04446	0.6
120.08111	1.0
121.02859	1.1
122.06039	0.6
123.04420	1.1
123.08111	1.1
127.03899	0.8
130.05026	0.7
130.06532	8.7
132.04446	0.7
134.06021	0.6
135.04390	0.6
136.05191	5.9
136.07573	2.8
137.02309	1.5
137.05992	6.1
140.07076	0.8
145.01085	0.5
147.04407	1.3
148.07567	1.1
149.02422	0.7
150.05511	0.6
151.07549	100.0
156.07976	0.5
158.99654	0.7
160.07527	0.7
164.07080	1.8
165.01877	2.0
167.07225	0.7
168.83455	0.5
179.08784	0.5
180.08121	0.9
184.09877	0.6
186.59604	0.6
192.10208	2.4
194.09691	1.5
196.11320	0.8
204.08212	0.6
206.09854	2.7
206.11487	0.7
207.09207	3.8
208.09912	1.2
210.02060	0.5
215.08032	0.8
220.10011	0.8
221.10741	9.5
222.11507	2.9
223.12317	10.3
235.10223	0.8
235.12267	2.8
236.13130	1.3
239.11737	1.1
247.12114	1.3
249.10281	4.9
253.13448	1.1
254.10545	1.7
259.11978	0.7
260.12271	1.5
267.11319	11.9
268.12180	0.7
269.12952	1.7
285.12430	2.3
287.05627	3.9
287.08701	1.0
287.13821	3.2
299.05542	10.6
299.13913	31.5
300.06464	1.6
303.13000	0.9
311.05682	1.1
312.15872	0.7
313.07166	0.9
321.15942	1.0
325.07288	2.3
329.06583	7.6
337.07196	1.0
339.08759	1.8
353.06497	4.0
358.17212	0.7
362.14435	1.0
365.06696	1.8
373.19080	8.9
381.94983	0.6
383.07581	3.4
391.16498	0.8
395.07892	2.3
403.08923	0.7
405.21906	2.7
413.08575	3.4
417.18097	6.4
431.09662	2.7
449.10312	3.7
449.20868	47.1
450.21497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46244	0.3
53.03939	0.5
55.01866	0.4
65.03935	2.1
68.45089	0.3
69.03423	0.4
69.82244	1.6
70.06584	0.4
79.05487	0.9
80.05055	0.4
81.03445	0.5
84.04498	0.8
84.08131	0.4
85.02908	0.6
86.09702	0.3
88.75152	0.3
91.05484	46.8
91.52335	0.3
93.05767	0.3
94.92786	0.3
95.04971	8.6
98.21428	0.3
98.97550	0.4
103.05512	0.5
105.07022	0.6
106.06561	1.4
107.04973	0.5
108.08167	0.5
118.06580	0.4
119.04948	34.2
120.08129	0.9
123.08067	0.8
127.03985	0.4
130.06534	7.7
132.04405	0.5
135.04379	0.4
136.05206	4.8
136.07590	1.2
137.05968	3.5
146.06078	0.4
147.04437	0.6
151.07549	100.0
152.07956	0.4
153.01813	0.5
156.08154	0.5
160.07617	0.4
164.07138	0.5
164.32132	0.4
168.07988	0.6
180.08093	0.7
181.08890	0.6
191.07310	0.8
192.10248	0.8
193.08896	0.6
194.09653	2.0
195.09007	0.4
196.11237	0.8
204.08156	0.7
205.08942	0.4
206.09827	2.5
207.09140	4.7
208.09779	2.0
208.11676	0.5
215.08136	0.4
217.05020	1.1
219.09323	0.4
220.09976	0.8
221.10744	9.1
222.11504	3.1
223.12318	10.7
233.11049	0.4
235.12381	3.4
236.13156	1.0
239.11928	0.7
249.10217	4.1
253.13419	1.3
254.10527	1.4
260.12289	0.8
267.11322	12.1
268.12152	0.9
285.12314	1.2
287.05542	3.7
299.05594	3.3
299.13907	31.1
321.16000	1.2
325.07297	0.6
329.06549	2.2
339.09027	0.4
351.99203	0.4
353.06610	1.4
358.16864	0.6
365.15002	0.8
373.19141	8.4
383.07758	0.6
395.07889	0.7
400.39536	0.4
405.21844	2.5
413.08444	0.5
417.18164	7.0
431.10068	0.9
449.10303	1.2
449.20773	44.6
450.21170	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
53.03928	1.2
55.01870	0.9
65.03944	0.7
67.05492	0.9
68.99822	1.3
69.03443	2.0
69.75762	3.5
70.06583	2.2
71.04978	0.8
72.29080	0.7
73.67285	0.7
77.06464	0.7
79.01855	1.7
79.05479	1.4
81.03406	1.8
81.07048	1.6
84.08157	3.8
85.02910	5.3
86.09705	5.2
87.00848	0.8
87.58690	0.7
91.05492	2.6
93.07065	1.4
95.04992	1.3
95.08583	1.3
97.02911	0.9
103.05493	0.9
105.07034	1.6
107.08620	0.9
109.02860	1.6
119.04913	1.4
120.08116	5.5
121.02876	2.2
121.06505	1.5
123.04430	12.6
127.03936	1.5
127.81606	0.8
128.10751	0.9
129.10257	1.4
130.08652	1.2
131.04971	0.9
133.10216	0.9
135.04434	2.6
136.07558	5.5
137.02368	7.6
137.05984	2.4
141.01907	1.3
145.04987	0.9
147.04410	3.3
149.02353	3.2
152.07043	0.9
153.01794	1.8
153.05469	2.0
161.02405	2.6
163.03912	6.0
164.07068	4.1
165.01836	14.0
167.03404	2.4
177.01860	1.8
177.05536	1.5
179.03462	1.0
183.02951	3.0
185.26657	0.7
187.03902	1.2
191.03398	1.6
195.02901	1.5
211.07581	1.1
213.05554	0.8
215.03464	1.3
217.05032	1.1
229.05135	1.8
229.08611	13.4
241.08722	1.2
243.03040	1.5
255.06500	1.3
257.08109	11.8
269.08115	4.5
271.06097	3.9
272.06711	2.9
273.06589	3.2
283.05920	7.5
286.04755	1.8
287.05551	12.2
287.09164	10.4
294.17935	0.8
295.05939	1.8
297.04758	0.9
297.07529	4.9
299.05508	100.0
300.06244	10.4
301.07065	1.0
311.05551	9.0
311.09207	2.3
313.07010	4.6
321.07645	2.9
323.05588	1.2
324.06274	2.2
325.03577	1.1
325.07013	17.1
329.06537	61.6
330.07028	0.9
335.09000	1.4
337.07007	1.8
339.04843	1.1
339.08615	15.5
341.06635	1.3
349.07108	3.3
351.04968	1.0
353.06586	30.7
361.07104	1.3
365.06592	10.2
365.10779	1.1
367.08261	2.8
377.06409	7.3
377.21442	2.5
383.07648	21.0
395.07593	18.1
413.08646	18.1
431.09802	18.5
449.11139	19.3
449.23474	27.0
449.29123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
67.01861	0.5
67.05521	0.2
68.99789	0.4
69.20280	0.2
70.09789	0.3
70.10194	0.7
70.28932	0.2
79.01867	0.4
82.37143	0.2
85.02896	0.3
105.36681	0.2
107.04979	0.2
123.04465	1.0
123.19479	0.2
135.04431	1.4
137.02394	0.9
153.01831	5.0
153.05421	0.2
161.02394	0.7
161.61932	0.2
163.03900	0.2
165.01849	0.7
167.03607	0.2
171.02927	0.2
179.03360	0.4
229.04897	0.3
229.08601	0.2
238.15013	0.2
241.04968	0.5
269.04553	0.2
283.06119	0.3
287.05515	100.0
288.05881	1.1
297.07416	0.3
299.05521	9.0
300.06351	0.8
311.05496	0.6
313.07068	0.3
324.06458	0.2
325.06995	0.8
325.40524	0.2
329.06580	3.8
339.08691	0.7
353.06573	2.0
365.06451	0.6
377.06506	0.4
383.07602	1.3
395.07745	0.9
407.83798	0.2
413.08667	1.4
431.09412	0.9
449.10788	4.7
449.23645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
67.01855	0.5
68.99799	0.5
69.33100	1.4
69.33514	0.6
81.03380	0.4
82.64213	0.3
85.02892	0.6
97.02805	0.2
109.02894	0.4
117.03397	0.3
127.03905	0.4
135.04425	1.8
136.07558	0.5
137.02348	1.3
137.05939	0.5
145.97096	0.2
147.04384	0.3
151.54424	0.3
153.00714	0.5
153.01859	4.9
161.02307	0.7
163.03853	0.3
164.07040	0.4
165.01831	0.8
167.03421	0.3
171.02791	0.3
179.03471	0.4
241.05009	0.7
259.06064	0.3
269.04306	0.4
283.06027	0.5
286.04938	0.3
287.05515	100.0
288.05829	1.2
297.07401	0.3
299.02362	0.5
299.05530	7.9
300.06247	0.9
311.05493	0.9
313.07071	0.5
325.06909	1.4
329.06543	6.6
339.08600	1.1
353.06705	3.2
365.06583	0.8
367.07803	0.3
377.06387	0.5
383.07782	1.5
395.07669	1.0
413.08691	2.0
431.09821	2.1
449.10825	27.2
450.10992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
55.01878	0.4
60.62063	0.2
62.61077	0.3
65.38283	0.3
66.77219	0.2
67.01876	0.5
68.99474	0.3
68.99806	0.9
69.03433	0.4
69.33062	2.4
71.95102	0.2
72.08127	0.3
81.24241	0.3
85.02924	0.8
97.02860	0.5
99.04549	0.4
107.04932	0.3
109.02872	0.5
117.03398	0.6
121.02892	0.5
135.04428	2.3
137.02362	2.8
141.01851	0.5
145.02824	0.4
149.02362	0.9
151.07599	0.3
153.01828	4.9
155.97621	0.3
161.02361	1.1
163.03922	0.6
165.01852	4.6
167.03441	1.0
177.01801	0.5
179.03423	0.8
181.05042	0.3
183.02887	1.0
191.03371	0.5
195.02951	0.6
203.03419	0.4
217.04944	0.3
227.06850	0.3
229.04938	0.4
241.05048	0.4
243.02811	0.6
245.04395	0.4
255.06679	0.5
271.06009	0.4
283.05969	2.0
286.04700	1.0
287.05518	100.0
288.05820	1.2
295.06094	0.7
297.07565	1.7
299.05527	26.8
300.06238	3.7
301.07120	0.6
311.05536	3.3
311.08984	0.6
313.06940	1.3
321.07590	0.7
323.05615	0.8
324.06229	0.6
325.03467	0.7
325.07010	6.3
329.06583	20.7
337.07025	0.7
339.08636	4.5
349.07080	0.9
353.02261	0.5
353.06586	10.2
359.07767	0.4
365.06589	3.4
367.08099	0.8
373.08209	0.3
377.06567	2.6
383.07651	5.5
395.07669	5.1
413.08734	6.6
431.09808	4.8
449.10809	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	449.1083
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
53.03918	0.7
55.01860	1.3
57.88799	0.7
58.13562	0.7
59.71347	0.7
68.97147	0.8
68.99799	1.6
70.06586	0.9
70.86673	1.8
70.87038	1.0
79.01843	2.6
81.03418	2.3
85.02895	3.5
86.09704	1.2
91.05499	1.5
93.07050	0.9
95.04954	0.8
97.02888	1.8
104.02506	0.8
109.02871	1.9
119.04898	0.9
121.02879	2.2
123.00784	0.9
127.03915	1.1
135.04428	3.4
137.02342	14.6
137.03369	0.8
147.04408	1.3
149.02336	1.9
153.01822	3.3
161.02344	2.7
163.03946	1.9
165.01801	8.5
167.03415	1.2
167.13763	0.8
171.64053	0.8
175.03951	1.0
177.01895	2.6
179.03424	1.7
183.02917	3.3
187.03922	2.3
191.03392	1.7
195.02879	1.4
201.05508	1.3
203.03387	1.1
205.05016	1.1
217.04999	3.5
223.66716	0.8
229.04987	3.7
231.06250	0.9
233.04536	1.3
241.04878	0.9
243.02998	2.0
243.06456	1.4
257.12015	0.9
259.06036	2.4
261.03967	2.1
271.06085	5.5
272.06735	6.3
283.06006	4.0
286.04733	2.1
287.05515	61.8
288.05823	1.4
295.06085	2.4
297.07547	3.2
299.05518	100.0
300.06271	28.4
301.07031	1.7
311.05487	15.3
311.08939	1.0
313.07062	12.8
321.07507	1.2
323.05527	2.9
324.06448	2.6
325.03455	1.6
325.07056	13.0
327.05219	1.6
329.06583	92.0
330.06863	1.9
337.07291	1.6
339.05035	1.2
339.08597	17.8
341.06680	3.6
343.08191	1.0
349.07263	1.9
353.06586	32.8
354.07202	1.1
359.07590	4.2
365.06586	6.1
367.08145	4.7
371.07245	1.5
377.06598	3.8
383.07669	21.5
395.07617	16.7
413.08688	29.9
431.09760	47.6
449.10864	59.7
449.23697	8.1
450.11078	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
50.69746	0.8
67.93813	0.7
69.03442	0.7
71.06765	1.8
79.01887	3.9
79.02264	0.9
81.03421	1.2
85.02894	1.7
94.80245	0.7
135.04456	2.8
136.05254	2.0
137.02339	15.7
137.03391	1.1
137.20009	0.9
149.02356	1.6
161.02353	3.3
161.05907	1.0
163.03949	1.2
165.01865	4.7
167.03409	1.5
177.01886	1.5
179.03448	1.6
183.02843	1.8
187.03825	1.3
189.01773	1.2
191.03479	1.4
195.02838	1.0
203.03430	1.1
215.03545	1.2
217.04987	3.5
227.07028	1.8
229.04944	4.3
243.02855	2.1
243.06546	1.8
244.07436	1.1
254.06097	0.9
255.06548	1.0
258.05267	1.2
259.06009	3.5
261.04037	1.4
271.06070	6.0
272.06863	9.4
275.05511	1.1
278.79901	1.0
283.06085	1.6
286.04675	1.1
287.05579	4.1
297.07718	1.2
299.05521	67.6
300.06296	36.8
301.07111	3.4
311.05569	13.3
313.07056	16.3
323.05692	1.2
324.06354	2.8
325.07028	5.9
327.04990	2.9
329.06573	76.5
330.06699	1.0
337.07077	0.9
339.05066	1.6
339.08627	15.4
341.06543	4.5
343.08139	1.2
353.06564	20.9
353.10736	1.4
354.85126	0.9
359.07507	5.6
365.06406	2.3
367.08130	3.8
371.07779	0.9
377.06451	1.1
383.07608	13.8
395.07639	8.5
408.88647	0.9
413.08658	28.1
431.09772	43.9
449.10840	100.0
450.11050	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	449.1079
Annotation	Homoorientin
Peak:m/z	Relative Intensity
55.01860	0.8
57.03416	1.3
66.04893	0.7
68.99799	0.8
69.04423	0.7
71.05585	1.5
71.05933	0.9
75.72969	0.7
81.03420	2.2
85.02917	1.6
91.05479	1.1
109.02859	1.4
121.02912	1.8
123.00850	0.8
135.04414	2.7
137.02371	6.9
141.01842	1.7
147.04369	0.8
149.02377	2.4
161.02332	2.1
163.03940	2.6
165.01840	16.6
167.03407	3.4
177.01778	1.0
177.05377	0.8
179.03462	1.2
181.04996	1.0
183.02887	2.9
187.03955	1.3
189.01828	1.0
191.03404	1.2
195.02887	2.1
233.66862	0.8
243.02834	0.9
245.04475	1.5
255.06566	1.3
283.06067	8.5
286.04703	3.0
287.05515	6.2
295.05896	1.9
297.07562	7.3
299.05508	100.0
300.06256	10.9
311.05496	9.9
311.09094	2.2
313.03516	1.1
313.07080	1.7
321.07529	2.9
323.05380	1.8
324.06284	3.5
325.03586	1.8
325.07071	20.0
327.04922	1.0
329.06561	74.4
330.06900	1.3
337.07034	2.6
339.08652	15.4
349.07147	3.1
353.06570	44.4
365.06570	11.3
367.08075	2.9
377.06485	7.9
383.07623	31.4
394.64505	0.8
395.07629	23.4
413.08682	28.6
413.14209	1.5
414.08707	0.7
431.09735	18.6
449.10809	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	448.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48510	0.5
51.02832	0.4
55.01876	3.8
55.05515	3.3
56.05023	0.7
57.03440	3.0
57.07070	0.6
57.98795	0.5
58.99594	4.8
61.01152	3.6
62.99075	0.8
67.05513	9.4
69.03427	0.6
69.07057	1.1
69.95831	1.8
69.96230	0.9
71.04967	0.5
71.08635	6.7
72.04526	2.4
73.06528	0.6
73.09709	0.4
76.02234	25.2
77.00623	1.7
79.05480	2.2
81.03391	0.5
81.07042	2.2
83.06092	1.8
83.08607	1.2
84.04037	0.9
84.04510	11.2
84.08121	0.5
85.01109	0.8
85.02895	0.6
86.09715	0.5
86.99043	0.6
87.02694	1.1
88.02186	0.7
88.71487	0.6
89.00621	7.6
89.01450	0.6
90.05048	0.7
90.05564	9.1
91.05462	0.9
93.07041	0.7
95.08611	0.9
97.10188	3.8
99.02665	1.6
99.08115	9.5
104.01666	1.8
105.07014	1.0
107.08584	2.9
109.10175	8.4
114.03764	0.5
115.00199	0.5
116.01686	6.0
119.08586	0.6
121.10124	1.0
126.05537	9.0
126.12811	4.2
127.11215	8.3
129.06599	3.1
130.03284	0.8
130.05032	3.0
133.10135	0.8
135.08101	0.5
137.05960	0.9
141.04781	0.6
141.07381	0.9
142.03204	2.3
144.06572	14.7
150.12856	0.7
158.02727	19.3
159.08409	52.0
163.03856	0.6
165.01865	1.4
167.08891	1.8
175.05357	2.4
176.03769	7.9
181.06068	0.6
184.11554	4.9
187.05331	1.8
192.07016	0.5
193.06451	18.0
202.12614	10.4
215.04871	1.3
215.25903	0.5
233.05988	3.9
241.06453	0.6
259.09708	0.7
271.05988	1.2
272.06439	1.5
279.73874	0.5
284.13336	0.8
287.05515	2.8
299.05389	3.5
301.15826	100.0
302.14288	2.2
303.24319	0.5
314.07217	0.8
319.16968	4.1
322.10638	0.8
325.06964	0.8
329.06674	3.6
339.08658	0.7
341.15268	1.1
344.08691	0.9
353.06458	1.3
359.16412	10.8
368.08331	0.7
383.07675	0.7
395.07706	0.8
412.11108	2.0
413.08609	1.3
430.20297	1.6
431.09842	0.7
431.18381	0.8
448.21252	2.5
449.10889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.0
57.05800	0.4
60.05621	0.9
69.64688	1.0
69.65097	0.9
70.06578	0.4
74.29739	0.3
79.05473	0.5
80.60370	0.3
81.22189	0.3
83.06094	1.5
91.05430	0.3
95.06078	0.4
96.04462	0.4
97.07634	0.5
104.04929	0.4
105.03378	1.9
105.05747	0.8
106.06513	1.0
111.04920	0.4
111.05577	4.8
112.08249	0.3
113.07119	1.0
114.19384	0.3
120.04473	12.2
123.05533	0.7
126.05763	0.6
126.06635	8.4
127.07430	0.8
132.04459	18.0
134.06013	7.5
137.04692	1.5
137.05637	0.4
140.08180	0.9
145.03894	0.4
146.02361	0.9
147.05467	0.6
149.07069	0.4
151.05028	0.5
151.06158	7.1
157.07579	0.6
158.05940	0.6
161.07184	0.4
162.06619	0.7
164.07068	0.9
168.08807	2.0
178.32764	0.3
185.07074	0.7
187.07408	0.4
192.10155	1.2
202.09758	12.4
213.29680	0.3
214.09671	0.4
215.08168	0.4
216.11324	3.3
230.09250	8.6
231.12422	0.9
232.10823	3.6
242.09300	2.7
255.08766	0.6
257.10388	5.1
259.11905	71.1
260.12335	0.7
276.14621	0.4
277.12885	2.0
284.11429	7.9
301.14053	6.3
302.12476	26.3
303.12527	0.4
319.15137	2.2
359.71802	0.3
362.18216	1.5
406.17206	12.8
413.15512	0.4
430.18423	1.0
431.16885	1.0
448.19409	100.0
449.19818	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	448.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24603	0.2
53.52144	0.2
55.01844	0.2
58.01291	0.2
62.82270	0.2
69.03391	0.4
69.74284	1.3
70.06562	0.3
73.02923	0.3
79.05455	0.2
80.04983	0.5
83.06104	0.3
84.04470	0.3
85.02870	0.9
86.09673	0.2
97.02844	0.6
98.20750	0.4
98.97549	0.3
106.02899	0.7
108.04496	1.3
110.05991	0.5
111.05556	0.5
120.04428	0.7
123.04575	0.4
123.05560	4.8
124.06344	0.3
125.07082	0.9
126.06615	0.7
132.04471	1.6
134.06015	0.9
148.07564	0.5
149.08315	0.4
151.06160	0.8
151.07443	0.4
162.06752	0.4
163.06267	0.7
163.07530	0.6
164.07094	1.4
165.06587	0.6
170.31320	0.2
175.06306	0.3
177.07861	15.5
178.08643	9.9
190.08658	3.3
192.10201	100.0
193.10631	0.7
198.65189	0.3
202.09789	0.8
230.09290	0.7
232.10863	0.5
242.08235	0.8
254.11853	0.5
259.11920	5.3
268.09842	0.4
273.16064	0.3
277.12988	0.3
284.11359	0.4
286.10803	0.3
299.13754	1.3
301.14072	0.6
302.12476	2.6
316.16614	0.6
406.17426	1.0
431.12164	0.3
431.18158	6.2
448.20551	21.2
449.21021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01863	3.2
55.05297	1.1
55.05516	13.0
57.03445	16.2
57.07070	3.3
58.98326	1.2
67.05509	35.4
69.07070	12.3
70.73696	3.1
71.08614	2.0
78.74139	1.1
79.05503	23.6
79.99881	1.1
81.06585	2.1
81.07066	41.6
83.08636	7.5
85.06529	1.3
85.10205	1.2
91.05492	12.5
93.07051	27.5
95.04955	2.6
95.08614	32.0
97.06498	1.7
97.10171	3.8
98.98495	7.6
103.84770	1.1
105.04492	1.5
105.07040	9.1
107.08597	15.3
109.10175	15.3
113.00028	70.6
117.07036	2.3
119.08588	7.4
121.10161	12.6
123.11685	5.5
131.08592	5.2
133.10123	4.9
135.11685	10.9
136.99988	8.2
137.09618	2.0
137.13310	1.8
141.27887	1.1
145.10127	4.7
147.11685	6.0
149.13274	6.4
155.01031	5.8
159.11696	3.1
161.13264	3.8
163.14810	4.0
169.02641	23.1
173.13258	3.5
175.14803	1.5
177.16487	1.8
179.14325	1.1
187.03687	7.5
187.14833	3.3
193.02673	1.4
237.22136	1.4
243.21085	8.3
261.22162	14.4
271.05963	3.4
277.21814	1.1
311.25906	6.5
317.24704	4.9
335.25815	100.0
336.26099	1.9
447.25061	16.0
452.21201	1.5
457.68372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05010	1.1
57.05795	0.4
60.05621	1.3
69.03416	0.7
70.06576	0.4
71.11147	0.9
77.34109	0.4
79.05485	0.5
81.03416	0.6
83.06067	1.6
83.61504	0.4
85.02885	0.6
91.05451	0.6
95.06019	0.4
97.02885	0.4
98.07166	0.7
105.03409	1.9
105.05753	1.2
106.06541	1.2
111.05577	6.1
113.07115	0.6
120.04476	11.1
123.04391	1.8
123.05520	1.0
124.03976	0.7
126.06645	8.5
127.07441	0.4
132.04463	18.9
132.08047	0.6
133.05190	0.5
134.06032	8.6
137.04707	1.9
137.05725	0.4
140.08170	1.2
145.03937	0.5
146.02312	0.8
147.05531	0.6
151.06165	7.0
158.05957	0.5
161.07111	0.5
162.05484	0.7
164.07083	6.0
168.08800	2.7
177.07857	0.7
181.05229	0.5
185.07124	0.4
187.07320	0.7
187.08791	0.5
192.08501	0.5
192.10211	7.5
201.47867	0.4
202.09764	14.0
202.11667	0.8
214.09879	0.5
215.08136	0.5
216.11403	3.0
230.09264	8.2
231.12451	0.8
232.10828	4.0
242.09315	3.4
255.08736	0.6
257.10400	4.7
259.11914	79.3
260.12308	0.5
277.12991	2.0
284.11426	8.4
286.10550	0.7
301.14090	7.4
302.12482	30.3
319.15137	1.9
360.16626	0.5
362.18222	1.1
406.17239	15.1
430.18454	1.2
431.17233	1.4
448.19446	100.0
449.19815	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03939	1.8
55.01880	0.8
58.06582	0.9
69.03436	4.4
69.39140	2.2
69.39543	1.3
70.06589	2.2
71.04990	0.5
72.08145	2.2
73.02921	0.8
73.04775	0.5
73.45908	0.5
78.03449	6.8
80.05032	0.8
81.02971	0.8
81.03415	7.9
81.07037	0.4
84.04506	0.7
84.08138	0.8
85.02892	3.5
86.09719	2.1
91.05481	1.8
93.07048	0.5
96.04490	1.4
97.02907	2.4
98.97588	0.8
99.04462	1.1
103.05432	0.5
105.07030	0.8
106.02914	26.3
107.04965	2.1
108.04468	3.1
109.02864	5.1
109.06581	0.5
110.07162	0.5
115.05437	2.5
116.07097	0.6
116.98607	0.7
117.07021	17.4
117.07854	0.8
119.04955	1.3
120.04442	0.5
121.02827	0.7
123.04407	1.0
124.03957	34.5
127.03970	2.3
130.04956	0.7
131.04947	0.8
132.04469	0.7
133.06477	1.0
134.09674	0.9
135.04440	3.0
135.08080	1.3
137.05975	8.0
145.06483	26.1
147.04430	0.9
149.05904	0.6
151.06488	0.6
151.07524	3.1
155.05966	0.7
155.48318	0.5
163.07544	27.4
164.06944	1.1
166.05028	0.6
178.08636	52.7
179.09074	0.5
180.10197	26.6
190.08487	0.5
192.10217	3.0
205.97269	0.5
230.08954	0.6
250.07024	2.5
259.11789	2.1
263.07343	0.5
268.08163	14.4
281.29028	0.5
285.07642	1.4
302.12506	1.0
325.06137	0.4
328.69977	0.5
340.13901	4.0
406.93530	0.4
447.17636	100.0
448.19073	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	447.0924
Annotation	Baicalin
Peak:m/z	Relative Intensity
55.26339	0.2
56.88670	0.2
64.75726	0.2
67.01861	0.5
68.99480	0.2
68.99811	0.3
69.82847	1.0
91.05427	0.3
107.28690	0.2
110.73234	0.2
119.04938	1.5
121.02863	0.6
126.01472	0.2
141.30373	0.2
145.02876	0.7
153.01834	4.0
171.02931	0.3
225.05460	0.2
229.05060	0.2
243.06364	0.3
271.06018	100.0
272.06302	1.1
279.49200	0.2
447.03180	0.2
447.09250	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03437	1.7
63.55522	0.8
68.09115	0.9
69.03428	2.1
70.06578	2.0
71.55292	1.3
72.08150	1.1
73.02917	1.3
81.03419	1.8
84.04515	1.5
84.08147	1.3
85.02908	5.8
86.09715	1.1
91.05405	1.6
97.02878	2.0
98.97593	2.3
105.03474	1.0
106.02915	1.9
106.06561	1.4
109.02955	0.8
120.04463	1.5
121.02892	1.3
123.04422	1.8
124.03959	3.1
127.03875	0.9
130.06526	6.7
132.04472	1.6
134.06023	1.5
136.06123	1.1
136.07607	2.1
137.05992	5.5
138.06346	2.0
154.06546	1.1
164.07095	2.7
165.07074	2.9
166.06499	0.9
167.05679	1.1
167.07199	1.6
168.08086	3.6
180.08080	2.0
183.09232	1.2
192.08119	2.8
192.10211	2.7
193.07562	1.7
194.09721	7.5
204.08049	5.2
205.07726	2.4
206.08282	8.9
207.09187	38.4
208.09898	9.6
219.09198	3.7
220.09944	6.6
221.10745	66.9
222.11450	4.3
223.12305	37.6
239.11795	52.5
240.12245	1.4
249.10277	7.3
250.07201	1.0
252.09035	3.8
253.09882	2.9
254.11830	9.9
259.11923	2.9
267.11292	38.9
273.22931	1.0
281.12839	1.0
283.12799	1.0
285.13199	2.6
299.13931	2.0
302.12878	1.3
339.13358	5.2
361.02325	1.5
369.14444	2.7
397.13922	3.4
415.15030	100.0
416.15604	2.1
433.88681	1.2
447.11319	1.9
447.17700	29.4
448.19803	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	446.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
56.05038	0.4
56.96576	0.7
65.03951	0.9
67.05496	1.2
68.05026	0.3
69.03423	0.4
69.07063	1.1
69.48218	1.3
69.48638	1.0
79.05494	1.0
80.05025	4.7
81.03419	0.4
81.07054	2.0
82.06592	0.5
85.02895	0.6
86.09741	0.3
88.07619	0.3
91.05483	17.9
93.07035	1.5
94.06590	0.7
95.08607	1.5
96.08138	0.7
97.02882	0.4
97.06554	0.6
98.06076	0.8
98.97577	1.3
105.07018	0.8
106.06548	0.4
107.08588	1.0
108.08097	1.8
109.02888	0.6
109.06525	1.3
109.08939	0.5
109.10168	0.4
110.09682	2.0
117.07000	0.4
119.04957	12.4
119.08564	0.6
121.06527	1.2
121.08935	0.5
121.10104	0.6
122.06007	0.5
122.09654	1.7
123.04422	0.9
124.11237	0.6
132.56778	0.3
133.10130	0.5
136.06168	0.3
136.11238	2.8
137.05989	45.9
164.07130	1.0
190.08626	0.5
199.54160	0.4
216.10201	3.1
218.11783	0.6
218.15251	0.3
220.20738	0.3
236.16431	0.8
239.11824	0.5
244.13394	0.8
246.14978	0.4
246.18454	0.4
248.20081	4.0
250.18095	1.0
258.14929	0.5
264.19650	1.1
265.13467	0.4
266.21176	19.3
271.06021	0.9
278.21234	1.7
284.10233	0.3
293.12991	0.4
310.23828	0.8
315.10413	0.9
327.90796	0.3
348.21912	0.9
372.21808	1.3
375.62897	0.5
385.64224	0.6
401.55441	0.4
401.60693	0.3
402.26425	81.2
403.26917	1.3
404.27695	0.3
416.24588	0.4
428.28336	0.7
446.17029	4.6
446.29080	100.0
446.67377	0.7
447.29370	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85529	0.3
55.05506	0.4
55.52789	0.3
56.96578	0.3
58.08146	0.3
67.05493	0.7
69.07059	0.4
71.55440	0.5
79.05487	0.5
81.07027	0.7
91.05472	0.4
91.74561	0.3
93.07042	0.4
95.08611	0.5
96.35760	0.3
97.02919	0.4
105.07009	0.8
107.08605	0.4
119.08568	0.6
124.78182	0.4
131.08617	0.4
143.08612	0.3
153.58098	0.3
184.07397	0.9
361.84152	0.4
445.31409	100.0
446.31760	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.5
55.05495	1.2
56.05038	0.6
56.96565	0.3
65.03943	0.7
67.05511	1.4
68.05012	0.5
69.03433	0.5
69.07063	0.7
69.62664	0.6
69.63071	1.2
70.06583	0.3
71.04976	1.0
71.83338	0.3
73.04747	0.4
79.05474	1.0
80.05022	5.1
81.03398	0.3
81.07062	2.8
82.06593	0.3
83.04967	0.3
83.08597	0.3
84.08153	0.4
85.02894	1.0
85.06586	0.3
88.99081	0.2
89.82549	0.3
91.05486	16.6
92.59713	0.3
93.07029	0.8
94.06613	0.7
95.08601	1.1
96.08115	0.7
97.02888	0.9
97.06537	0.3
98.06046	0.8
98.09666	0.7
98.97591	0.8
105.07008	0.8
107.04990	0.3
107.08582	0.9
108.08112	1.0
109.02876	0.4
109.06509	1.1
109.08881	0.4
109.10135	0.6
110.09653	0.8
111.04453	0.3
119.04942	10.9
119.08580	0.8
121.08870	0.6
121.10148	0.4
122.05982	0.3
122.09686	1.5
123.04382	0.4
124.11227	1.0
127.03864	0.4
131.04932	0.5
133.10153	0.6
135.11688	0.4
136.11253	2.1
137.05980	40.4
138.12793	0.8
145.10205	0.3
149.05914	0.5
150.12762	0.7
158.99622	0.4
161.06067	0.3
164.07094	1.7
189.09146	0.3
190.08620	0.6
206.11732	0.3
212.31056	0.3
216.10205	2.9
218.15384	0.4
220.20636	0.4
222.14882	0.3
234.14839	1.3
236.16571	0.7
244.13364	0.5
246.18509	0.8
248.20081	3.7
250.18117	1.4
258.14923	1.5
258.17651	0.4
264.19608	1.1
266.21152	17.2
271.06094	0.5
278.21207	1.2
280.22528	0.3
310.23715	0.8
315.60858	0.4
332.18512	0.4
369.63132	0.4
402.26407	65.6
403.26682	0.9
404.27512	0.4
428.28342	0.4
430.15839	0.6
446.29059	100.0
447.29498	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.182
Annotation	Difenacoum
Peak:m/z	Relative Intensity
56.05025	0.6
57.03424	0.4
61.02922	0.4
69.03437	1.9
69.65810	2.1
71.05007	0.4
73.02908	0.6
73.04757	1.3
81.03419	0.8
83.04940	0.4
84.04504	13.5
85.02911	4.7
87.04461	0.5
88.11297	0.5
91.05463	9.4
97.02888	1.4
98.97608	0.5
99.04483	0.4
102.05524	1.0
109.02882	0.5
109.06509	1.0
119.04944	7.9
121.02900	0.7
121.73376	0.4
126.05572	0.5
127.03926	1.0
130.04036	0.7
130.05008	14.5
136.06352	0.3
137.05978	100.0
138.06323	0.5
141.42412	0.3
154.08630	19.4
167.05629	0.4
208.05974	0.3
220.09671	3.6
225.04385	0.4
237.12305	2.4
266.07355	0.7
266.10239	15.0
283.12894	62.7
284.13165	0.6
316.14011	0.9
325.14032	0.6
337.50082	0.3
359.02823	1.5
428.15576	0.7
445.18234	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	445.2049
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.05512	0.4
67.05489	0.5
69.03420	0.7
69.07043	0.7
69.38174	0.5
69.38587	2.1
69.60759	0.2
71.04973	0.8
73.94059	0.3
79.05479	0.4
81.03424	0.6
81.07059	1.0
83.01288	0.3
85.02905	0.6
89.41678	0.2
91.86754	0.3
93.07039	0.4
95.08604	0.5
97.02862	0.6
98.21487	0.5
107.08577	0.4
109.02927	0.4
109.10165	0.5
119.08547	0.3
123.11653	0.4
127.03905	0.8
133.10159	0.3
137.05962	0.5
151.11147	0.3
155.01949	0.4
155.03128	0.3
173.03061	0.4
173.08018	0.3
197.11713	1.0
201.03758	0.9
257.17441	0.4
313.16312	0.5
333.07938	15.7
334.08542	0.4
335.09485	1.1
343.16043	0.4
431.11060	0.3
445.20462	100.0
446.20758	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.03936	2.0
55.05518	11.7
57.03436	2.9
61.02946	1.8
67.05509	34.6
69.07072	12.9
69.56870	6.0
69.57278	5.1
71.05004	2.5
79.05502	28.7
81.03426	2.6
81.07062	30.7
83.08625	6.4
85.02905	2.2
91.01095	1.7
91.05480	36.9
91.06006	2.6
93.07049	22.9
95.04958	3.7
95.08617	21.4
97.06557	3.2
97.10166	2.3
103.05457	2.8
105.07039	36.4
107.04963	4.6
107.08612	14.2
109.06489	2.8
109.10171	5.4
115.05434	2.1
116.06252	1.9
117.07053	17.6
118.17464	1.8
119.04933	1.6
119.08591	30.6
121.05006	1.7
121.06522	5.1
121.10131	7.9
125.09671	1.7
128.06239	2.5
129.07013	13.2
131.08583	30.4
133.06602	1.6
133.10118	14.4
135.08063	4.5
135.11725	5.0
141.07021	4.3
143.08582	12.5
145.06461	2.1
145.10149	17.1
147.08070	3.0
147.11684	3.8
149.09644	3.7
149.13161	1.7
155.08630	5.2
157.10130	6.4
159.11740	7.9
161.13246	2.0
163.11165	2.3
169.10164	6.8
171.11685	6.2
173.13268	1.8
177.12863	1.9
181.10126	2.4
183.11729	4.5
184.07419	2.5
185.13342	4.2
187.14879	3.2
189.12820	2.4
195.11864	2.3
197.13226	2.4
199.14841	2.1
209.13263	3.4
211.14841	3.4
220.02371	1.5
223.14983	2.4
225.16560	2.6
241.15797	2.3
247.17009	2.0
259.16888	2.5
261.18637	3.2
325.25311	4.8
335.23679	5.2
343.26410	6.2
353.24783	15.0
370.53055	1.9
371.25879	17.5
389.26898	19.1
427.28543	4.0
445.29535	100.0
446.29999	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	445.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01854	1.0
55.05495	0.5
57.03428	1.2
61.02913	1.2
67.05497	0.5
68.99788	0.6
69.03080	0.4
69.03430	5.7
70.06572	0.3
70.69547	0.7
70.69881	0.5
71.04995	0.9
73.02917	0.9
75.44988	0.5
79.05490	1.0
81.02995	0.4
81.03425	5.1
81.07043	1.1
85.02908	10.3
87.00842	4.1
87.04470	0.5
91.05467	3.5
93.07053	3.2
95.04986	0.8
95.08584	1.3
97.02894	3.7
97.06537	0.5
98.97632	0.4
99.04457	1.2
103.92513	0.3
105.01845	2.1
105.07030	4.4
107.04921	0.5
107.08601	35.0
109.02888	5.8
109.06528	1.0
109.10152	2.1
119.04980	1.6
119.08584	3.2
121.02888	0.9
121.06514	0.9
121.10134	2.6
123.11700	1.2
127.03931	7.5
129.01839	0.7
131.04924	1.0
131.08598	0.8
133.10133	15.7
135.11723	2.8
137.05948	0.9
137.09613	1.0
139.07547	0.5
144.33760	0.3
145.04953	1.3
146.68861	0.4
147.02966	0.3
147.04398	1.3
149.09619	1.6
151.03902	0.5
151.07553	0.6
151.11192	4.0
159.02905	1.4
161.09616	5.0
165.01852	1.2
167.10680	5.7
174.06996	0.4
175.03899	1.8
179.10684	13.6
183.02921	0.4
189.04028	0.4
197.11743	100.0
198.12053	0.5
207.06560	4.2
213.03923	0.7
213.33487	0.4
231.05020	2.8
241.87949	0.3
275.27939	0.4
283.06003	1.1
289.24713	0.4
295.06012	1.1
296.06772	1.2
298.04742	2.6
301.06946	0.6
310.04721	0.4
310.08185	0.6
311.09250	0.6
313.07050	9.9
320.06757	0.5
324.06238	2.0
325.07114	1.0
327.08737	0.6
337.07147	0.8
338.07794	0.5
339.08713	1.9
353.10172	1.3
363.08530	0.7
367.08118	4.9
379.08182	1.4
391.08313	1.0
397.09113	2.1
409.09378	2.7
409.14542	0.6
427.10272	2.6
427.16141	1.0
445.10825	3.0
445.17111	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	444.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01872	3.2
55.05522	2.6
55.32467	1.0
55.51438	1.0
57.03442	7.0
59.05006	1.6
61.02923	1.5
67.05503	1.6
68.99796	3.3
69.03424	15.9
69.07069	1.9
69.58895	1.0
71.04984	3.9
71.55853	2.1
73.02913	3.2
79.05493	2.3
81.03422	21.4
81.07054	3.9
83.31293	1.0
85.02905	21.9
87.00813	2.5
90.05599	1.1
91.05484	3.2
93.07061	1.4
95.08575	2.7
96.57233	1.1
97.02889	34.4
98.97592	2.7
99.04472	8.4
101.02380	46.0
105.07013	2.3
107.08571	2.1
108.04490	7.6
109.02879	28.6
109.10200	2.1
112.31791	1.1
119.03416	100.0
119.08591	1.5
121.10097	1.9
122.06067	1.5
124.50762	1.2
126.05492	2.0
127.03917	38.2
130.06383	1.2
131.03394	9.5
137.05942	4.2
138.02208	1.6
145.04951	22.1
161.04468	2.9
164.07059	1.9
165.09149	1.3
173.04475	20.1
175.07547	1.2
178.08557	1.6
190.38191	1.0
197.04631	1.1
203.05557	1.3
207.05415	1.2
227.05518	4.8
244.08260	1.7
245.06541	12.1
262.09167	2.8
427.24979	1.5
444.10675	3.6
444.18256	1.4
444.27423	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	444.311
Annotation	Piericidin B5
Peak:m/z	Relative Intensity
55.01846	0.2
55.05508	0.9
56.05030	0.2
63.93572	0.2
64.83514	0.2
65.03931	1.0
65.98048	0.2
67.05506	1.1
69.06789	0.2
69.07076	1.9
71.21535	0.2
79.05498	1.9
81.07064	2.6
83.08629	0.3
84.08177	0.4
91.05486	18.2
93.07053	1.9
95.04977	0.2
95.08611	1.9
98.09718	0.6
105.07043	1.2
107.08597	2.9
108.08120	0.3
109.06551	1.0
109.10154	0.6
110.09687	0.8
112.11230	0.2
113.31167	0.2
117.07084	0.2
119.04954	9.9
119.08586	2.1
121.06518	0.3
121.10158	1.2
122.09656	0.3
123.11705	0.2
124.07561	0.3
131.08563	0.4
133.10107	1.7
135.08109	0.4
135.11671	1.2
136.11215	0.3
137.05988	27.7
137.13258	0.3
145.10133	0.5
147.11674	1.3
149.05983	0.3
149.13258	1.3
151.07526	0.2
159.11723	0.3
161.09651	0.3
161.13295	2.2
162.12787	2.3
163.14867	0.5
164.06972	0.3
164.14336	1.1
166.08629	1.0
166.15988	0.2
173.13287	0.3
175.14821	0.9
178.15874	1.2
189.16428	0.3
203.14246	0.2
205.19542	0.7
206.15440	0.3
215.17928	0.2
217.19589	0.9
219.21017	0.3
234.14949	0.4
238.18144	0.2
261.26947	0.2
276.23236	0.3
298.18069	2.8
300.19672	0.8
308.25906	4.2
309.26263	0.2
314.21136	2.3
316.19415	0.2
316.22726	0.4
320.25851	13.6
349.20831	0.2
374.23383	0.6
412.28354	0.4
426.79721	0.2
444.31128	100.0
445.31403	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	444.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01871	1.4
57.03437	2.0
58.02939	1.9
61.02925	2.9
65.03934	1.4
68.99776	1.5
69.03432	12.1
70.82382	1.0
71.09746	2.4
73.19981	1.0
77.03858	1.2
81.03418	6.4
85.02905	16.7
85.97472	1.1
87.00831	9.8
89.06030	1.6
90.40212	1.5
91.05479	49.7
93.07000	2.1
95.04947	1.2
97.02901	5.5
98.02427	1.5
99.04446	2.3
103.05465	30.0
104.06309	1.2
105.01858	3.7
105.07007	5.6
106.02903	2.6
109.02888	6.7
115.03918	2.2
115.05437	3.2
117.01862	1.7
117.05763	1.6
117.07017	2.5
118.06530	5.6
119.07339	5.7
120.08096	5.5
121.06508	100.0
124.03934	6.4
126.05508	2.5
127.03906	9.9
129.01866	1.5
130.05035	1.3
130.06541	10.6
131.04036	1.4
131.04935	21.2
132.08083	16.6
133.08554	1.2
135.08061	8.6
136.07581	67.9
142.05026	1.3
142.06503	3.5
144.08073	4.4
145.04953	3.1
146.05977	1.5
154.04942	1.4
159.02899	4.5
160.07597	6.3
162.09207	1.4
163.07547	13.9
172.06107	1.5
172.07513	2.4
174.34402	1.1
178.05049	1.2
188.07077	1.4
190.08624	5.8
196.09695	60.0
198.09229	1.3
220.09618	4.7
226.08624	1.8
231.04976	1.7
232.09775	1.8
244.09711	1.5
250.10750	15.7
268.08163	2.3
284.33319	1.2
286.10580	3.8
294.76895	1.1
304.11768	3.8
318.08209	10.7
322.12778	3.1
340.13947	7.7
348.10632	1.9
364.13861	2.7
390.11621	1.6
408.12836	6.1
409.13693	3.9
426.13983	17.0
435.65808	1.6
444.14764	2.2
444.23859	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3888
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
53.19430	6.0
55.05519	27.3
55.12962	6.3
56.46291	6.6
57.07061	8.3
67.05505	37.1
69.06764	7.1
69.07079	61.4
70.94267	13.7
74.84392	5.0
79.05499	18.0
81.07065	84.2
83.08623	18.5
87.04459	10.0
89.54108	5.6
91.05488	18.7
93.07063	46.1
95.08624	100.0
97.06522	11.0
97.10145	11.3
99.08099	5.9
105.07040	30.4
107.08607	74.0
109.10167	98.3
111.11719	24.9
116.48391	6.5
119.08603	48.1
121.10154	80.2
123.11704	36.0
127.11156	9.3
131.08548	9.2
133.10132	29.4
135.11707	57.2
137.13254	19.0
139.11165	9.2
145.10138	17.0
147.11703	32.3
149.13263	40.1
153.12766	6.3
159.11768	9.4
161.13307	16.6
163.14841	22.1
173.13309	15.7
175.14821	19.1
177.16357	23.7
187.14844	8.5
189.16420	6.3
191.17989	19.0
193.23297	5.8
195.17496	7.5
201.16492	6.9
203.17996	8.5
213.16386	7.3
217.19495	9.9
229.19560	9.4
401.95670	6.0
407.36890	17.3
425.38028	56.9
443.33459	52.3
443.39099	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	444.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.2
55.01878	2.8
57.03438	2.2
58.02967	4.2
58.06597	1.6
59.05017	3.2
59.44656	0.5
59.56560	0.6
61.02919	0.8
61.36736	0.5
65.03956	0.9
68.99789	1.3
69.03437	12.3
69.64220	3.5
70.05477	0.5
71.04984	0.7
73.02922	4.3
77.03966	0.5
79.05480	1.1
81.03418	7.6
85.02911	20.2
85.03424	1.2
87.00821	8.1
87.04460	1.2
89.06063	1.3
91.05482	39.0
93.07012	0.8
97.02902	5.6
97.06555	0.6
99.04455	2.6
101.06011	1.4
103.03989	0.6
103.05470	7.1
105.01862	4.6
105.07049	1.4
107.05009	0.7
109.02891	6.9
115.03933	1.4
115.05439	0.8
117.01816	0.9
117.05531	2.2
118.06547	7.3
119.07329	10.0
120.08112	7.5
121.06508	21.7
127.03931	10.4
129.01860	1.1
130.06511	2.2
131.04913	6.5
132.08096	5.1
135.04393	1.1
135.08034	2.7
136.07582	100.0
137.07901	0.6
141.87305	0.5
145.04956	3.5
146.05997	1.1
159.02927	4.3
160.07576	2.6
163.07544	5.1
164.07114	0.7
172.64279	0.5
180.10207	1.5
188.06966	0.7
190.08665	2.4
196.09697	74.9
213.49435	0.5
216.10274	0.7
220.09700	1.4
231.05029	1.4
232.09799	1.2
250.08467	0.7
250.10796	7.0
254.51469	0.6
286.10788	1.6
304.11740	1.1
318.08163	3.1
322.12708	1.2
323.12967	0.6
340.05307	1.2
340.14011	3.0
348.10550	0.9
398.62283	0.6
408.12723	2.0
409.13751	1.5
412.20657	0.6
426.13925	8.1
444.14890	1.4
444.24063	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.389
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
52.54491	5.6
55.05505	17.5
57.07068	8.5
58.92244	6.2
67.05517	34.9
69.06788	5.2
69.07078	50.4
71.57481	5.9
75.19208	5.3
79.05493	25.9
80.97169	4.5
81.06652	8.0
81.07069	100.0
83.08614	15.7
85.06528	7.3
87.04428	5.7
91.05479	11.3
93.07066	45.5
95.08611	98.8
97.10194	10.4
99.08067	6.4
105.07072	29.9
107.08602	61.8
109.10165	52.4
119.08554	26.8
121.10171	43.6
123.11735	28.9
131.08589	9.1
133.08624	5.2
133.10147	27.3
135.11678	36.5
137.05933	7.0
137.13232	15.7
145.10167	12.5
147.11697	19.2
149.13297	29.1
159.11705	17.9
161.13324	13.1
163.14848	11.6
173.13229	12.5
175.14822	14.6
177.16396	39.9
187.14830	9.2
189.16438	15.1
191.18060	9.3
198.46664	5.5
201.16353	5.7
203.17978	7.8
205.19461	12.5
215.17963	9.0
217.19456	13.5
229.19533	6.6
233.18980	7.8
234.96127	5.4
243.20906	5.2
257.22510	6.3
295.96704	5.3
368.98773	6.0
407.36578	10.3
425.37634	29.6
442.24326	6.5
443.33386	57.7
443.38922	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	443.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
65.20547	0.2
69.39513	1.3
84.72234	0.2
105.11561	0.2
105.28526	0.2
163.75133	0.2
186.49487	0.2
228.76689	0.2
370.05447	0.2
434.55893	0.2
443.33478	100.0
444.33777	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2792
Annotation	Amentol
Peak:m/z	Relative Intensity
53.03938	1.8
55.01865	2.4
55.05511	8.9
57.03440	2.7
59.05011	0.8
59.44812	0.6
65.03946	1.0
67.05507	19.3
69.03418	1.3
69.07069	7.8
69.72601	0.5
70.52235	0.6
71.04994	1.3
71.08266	0.5
71.55955	0.6
79.05062	1.0
79.05493	15.1
81.03411	1.2
81.07061	15.0
83.04958	1.8
83.08616	5.0
84.09658	0.5
85.06537	1.0
91.05481	22.0
93.06473	1.0
93.07046	15.5
95.04955	3.3
95.08614	10.8
97.06517	2.3
97.10170	1.9
98.97611	0.9
99.08075	1.0
103.05475	1.5
105.07029	15.9
107.04945	2.5
107.08099	0.5
107.08613	5.7
109.06531	2.9
109.10153	3.4
111.08062	1.0
115.05445	3.3
117.07018	14.6
118.19297	0.5
119.04906	1.3
119.08583	8.7
121.06502	3.8
121.10127	4.4
123.04455	0.7
123.08086	1.6
125.09615	1.1
128.06259	4.0
129.07008	20.0
131.04858	0.6
131.08572	18.7
133.06487	3.6
133.10112	5.6
135.08058	2.6
135.11681	2.0
137.05998	1.2
137.09615	1.9
138.23650	0.5
141.06995	7.3
142.07793	2.6
143.08560	17.6
145.06480	4.3
145.10133	11.5
147.08107	3.0
147.11697	1.9
149.09605	1.8
149.13263	0.9
151.07547	0.7
153.06985	1.1
154.07774	1.8
155.08562	12.2
155.12488	0.5
156.09410	0.8
157.06514	1.2
157.10126	7.6
159.08055	2.4
159.11697	4.1
161.09592	2.1
163.11140	1.0
165.07019	2.1
165.09122	0.7
166.07773	1.0
167.08528	5.6
168.09329	1.1
169.10103	8.3
171.08081	2.0
171.11697	6.3
173.09633	1.6
173.13277	2.0
175.11162	1.2
175.14842	0.7
177.12784	0.7
179.08603	2.3
180.09323	0.8
181.10117	6.3
182.10913	0.8
183.08052	1.1
183.11702	5.0
185.09610	1.7
185.13316	4.0
187.11127	1.0
189.12758	0.8
191.08565	0.7
192.09380	0.9
193.10176	2.6
194.10931	0.9
195.11723	5.5
197.13179	3.2
199.11221	1.8
199.14812	1.2
201.12680	1.8
205.10155	1.1
207.11685	3.4
209.13226	3.8
211.11179	1.4
211.14847	1.9
213.12779	3.7
213.16583	0.6
215.14224	0.7
217.15883	0.9
219.11676	0.9
220.12599	0.6
221.13338	3.1
223.14804	2.5
225.12762	1.9
225.16394	1.5
227.14301	2.0
229.15956	0.8
231.13712	0.8
235.14865	2.3
239.14302	2.5
241.15865	1.4
245.15353	1.0
249.16447	1.0
253.15855	2.1
255.17534	0.6
257.15353	1.8
259.17084	0.7
267.17435	0.8
269.10287	0.7
271.17041	2.4
283.16867	0.7
285.18381	1.2
305.22382	0.8
323.23636	1.7
329.25336	0.6
333.22128	4.0
341.24829	3.7
351.23199	18.1
369.24249	19.4
387.25320	10.5
415.28476	0.7
425.20685	1.0
425.26822	4.7
443.27921	100.0
444.28256	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	443.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01875	12.0
55.05513	15.2
57.03433	6.6
57.07075	2.8
61.02915	5.6
61.18493	2.3
66.07054	2.5
67.05506	27.9
68.99787	5.9
69.03435	25.9
69.06738	2.6
69.07077	40.1
69.41524	4.6
69.41931	13.2
71.05008	6.8
73.02934	4.1
79.05499	24.7
81.03419	24.8
81.07065	51.9
83.04974	7.1
83.08607	9.0
85.02438	2.7
85.02918	47.1
85.06567	3.1
87.00838	22.2
91.05489	22.6
93.07050	51.9
95.04972	12.3
95.08617	100.0
97.02914	21.5
97.06533	2.5
97.10165	6.6
98.97580	4.4
99.04451	8.2
99.08102	19.8
103.03934	4.9
105.01901	15.0
105.07039	35.9
107.04952	5.8
107.08601	47.6
109.02876	17.1
109.06496	6.4
109.10159	30.7
111.04461	5.6
111.08102	11.5
111.11740	13.1
113.09661	5.5
115.03929	6.4
115.28317	2.4
116.26293	2.6
117.01881	2.5
117.07021	11.0
117.35034	2.5
119.08592	40.1
121.06483	7.9
121.10160	60.0
122.06104	2.7
123.04431	7.5
123.08073	6.4
123.11715	26.6
125.09672	2.6
127.03925	18.9
128.06229	3.8
129.01851	6.3
129.05486	2.8
129.07004	6.6
131.08588	20.4
133.06474	2.5
133.10139	32.6
135.08031	4.3
135.11711	18.6
137.05951	8.7
137.09615	3.3
137.13271	6.1
139.11250	3.7
141.07011	4.4
142.07719	3.9
143.08614	13.9
145.04947	6.1
145.06505	5.1
145.10127	23.2
147.08022	4.3
147.11681	12.6
149.09612	3.5
149.13255	9.6
151.07504	2.8
155.08563	6.7
157.10184	15.9
159.02911	7.0
159.08026	3.5
159.11726	19.5
161.09601	3.3
161.13287	31.7
163.11198	4.9
163.14841	38.1
165.09138	4.7
167.07254	2.8
167.08643	3.0
169.10172	11.0
171.11676	10.7
173.13277	15.0
175.14839	47.5
177.12766	3.9
177.16408	75.3
179.08522	3.5
181.10129	3.5
181.15871	3.2
183.11687	8.1
185.13344	5.2
187.11302	4.7
187.14871	19.9
189.16394	12.0
191.17963	4.2
194.10902	3.3
195.17450	9.3
197.13231	5.5
199.14850	8.2
201.16414	28.0
203.10829	2.7
203.14336	3.8
205.15892	7.3
207.11769	3.9
209.13272	8.9
211.14787	3.5
213.16415	7.0
217.15829	7.5
219.17456	17.0
225.12897	2.8
225.16449	3.5
227.14275	7.4
231.05144	3.0
231.17413	9.4
237.18636	3.8
239.17943	5.7
243.17404	8.8
261.18536	6.2
264.10300	2.4
267.17529	15.0
279.19519	3.3
285.18451	21.0
285.33105	2.3
303.19565	13.1
383.16891	14.2
389.19565	17.6
407.20523	19.8
425.21567	16.2
443.23016	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	443.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03469	2.6
55.04253	3.0
56.96560	1.0
57.03436	0.9
69.03432	1.7
69.91130	4.5
70.06593	1.8
75.68938	1.1
79.05458	1.0
79.44729	0.9
80.04979	1.5
81.04549	19.2
82.04998	0.8
82.05329	8.5
85.02913	4.9
88.38973	0.9
95.06107	1.0
97.02899	2.4
98.21411	1.6
98.97570	2.3
109.75227	0.9
110.07184	1.2
116.98608	1.6
121.06501	1.8
122.07161	95.9
123.07941	94.6
127.03933	2.1
130.06525	2.5
134.25301	0.9
134.99661	1.0
136.06209	1.0
136.07611	1.4
144.04729	1.6
158.99551	0.9
160.04222	2.5
165.07706	3.8
171.67026	0.9
178.03250	1.1
179.03607	1.3
194.09781	1.6
196.04314	1.0
197.04619	1.4
204.07999	1.4
207.09268	2.8
208.09923	1.0
219.01677	1.2
221.10777	6.3
222.11362	1.5
223.12347	5.3
237.02904	1.8
239.11841	3.2
267.11346	3.1
281.10675	59.5
295.07495	1.2
296.07687	3.4
367.18289	2.3
401.13467	1.0
411.15405	10.3
443.15988	100.0
447.54813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	8.1
55.01849	10.2
55.05510	18.4
57.03419	8.3
57.07067	2.5
59.04986	5.2
61.02906	5.6
65.03940	2.3
67.05510	26.6
67.99652	2.2
68.99773	3.0
69.03436	28.9
69.07071	45.8
69.40692	20.1
69.85561	2.7
70.19543	2.3
71.04958	8.3
73.02906	6.0
77.03888	2.3
79.05501	28.8
81.03410	24.1
81.07059	49.5
82.66748	2.4
83.04955	5.5
83.08588	10.9
85.02909	46.4
85.06492	9.3
85.06939	2.6
87.00823	23.5
87.04436	3.4
89.06009	2.8
91.03888	2.4
91.04983	2.2
91.05480	26.3
93.07047	50.8
95.04926	11.1
95.08614	100.0
97.02905	17.2
97.06500	5.0
97.10152	5.7
98.59943	2.5
99.04417	8.5
99.08102	19.0
103.03886	5.3
105.01884	15.3
105.06419	3.5
105.07034	43.4
107.04910	9.5
107.08605	51.2
109.02880	18.6
109.06530	6.4
109.10156	31.6
111.04387	5.0
111.08041	10.2
111.11729	15.3
113.09605	6.1
115.03913	5.4
115.05374	3.7
117.06989	11.2
119.08586	40.0
121.06480	4.3
121.10156	65.5
123.04332	6.1
123.08050	5.7
123.11735	33.0
126.01668	2.6
127.03925	22.7
129.01778	4.1
129.06934	8.6
131.08575	17.2
133.06485	3.8
133.10146	36.4
135.08014	6.8
135.11716	30.0
137.05954	4.2
137.09570	11.0
137.13239	4.3
138.09969	3.0
139.07478	3.5
139.11150	4.0
141.05409	2.9
141.06952	3.7
142.07664	3.6
143.08604	11.7
145.04883	6.6
145.06409	5.3
145.09210	2.5
145.10117	27.5
147.02873	5.4
147.07941	3.2
147.11717	18.8
149.09567	3.8
149.13190	11.1
151.07504	4.0
155.08505	6.7
157.10143	14.6
159.02829	8.1
159.08049	4.2
159.11707	24.7
161.09500	3.5
161.13255	32.0
163.07492	2.7
163.11093	5.4
163.14844	35.0
165.09071	5.5
169.10094	7.0
171.11589	10.0
172.12558	2.9
173.09503	4.1
173.13264	20.4
175.07407	3.0
175.10980	4.2
175.14830	47.2
177.12714	2.6
177.16393	83.5
179.08363	2.6
181.10071	5.7
181.15836	4.5
183.08052	2.9
183.11652	8.2
185.09644	2.8
185.13190	10.0
187.11099	3.7
187.14815	19.6
189.03856	2.9
189.16431	15.1
193.15851	6.9
194.16197	3.1
195.17366	9.0
197.13145	5.7
199.14861	12.0
199.16336	2.4
200.11841	2.7
201.16405	24.8
203.14200	3.7
205.15804	6.8
206.11539	3.0
209.13179	6.0
211.11093	3.2
213.16205	7.4
215.14207	2.7
217.15796	8.7
219.17421	18.0
223.14743	3.4
225.12665	4.9
225.16312	3.1
227.14232	7.7
231.04877	4.7
231.17300	7.6
237.18445	4.2
239.17792	3.7
241.15695	5.9
243.17374	7.0
245.15431	3.4
257.18777	3.1
261.18311	7.4
267.17450	15.0
279.19537	5.1
285.18527	25.6
303.19449	15.5
321.20422	3.8
357.18631	10.1
371.18143	6.3
389.19754	17.8
399.15674	2.9
399.19910	31.4
407.20633	23.9
425.21619	15.6
433.87476	2.7
443.18454	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
56.11902	0.8
56.96545	1.1
57.23608	1.0
67.05502	1.5
68.81951	0.9
70.06082	3.9
70.06590	19.4
70.06960	2.0
80.05014	1.7
81.03405	1.6
84.04502	2.2
85.02908	1.7
85.33436	0.9
88.03989	4.1
88.07626	1.5
90.05560	3.0
91.05502	1.6
92.47337	1.0
93.05808	3.0
94.06576	4.0
95.04951	1.0
97.02912	1.1
98.20816	1.1
98.97599	1.5
106.06556	6.5
108.08109	1.3
108.52850	0.9
110.97513	1.0
116.07097	5.6
116.98621	1.0
117.05765	1.9
118.06532	2.5
119.04954	2.3
120.08103	10.1
123.04467	1.4
127.04108	1.0
127.31118	1.0
129.57489	1.1
130.06528	43.2
130.07503	2.2
131.07310	0.9
132.08083	2.7
132.15796	1.0
136.07605	2.7
138.05504	7.0
144.08102	2.1
146.06105	1.1
146.09662	1.7
147.04425	11.2
156.08052	3.3
164.07063	1.5
165.05472	0.9
168.08105	3.3
169.08861	1.2
177.05553	1.1
178.03235	5.6
179.01639	1.8
179.08546	1.1
180.08084	3.2
181.08931	2.6
183.09163	1.7
191.07304	3.8
191.11835	1.1
192.08110	1.5
192.09967	1.0
194.08159	2.4
194.09721	6.9
195.09184	1.9
196.04292	3.6
196.11288	1.3
197.10736	1.8
204.08139	4.3
205.08943	2.4
206.09801	22.7
206.11737	2.6
207.09036	8.9
208.09747	1.9
208.11441	2.2
217.09164	1.0
219.09192	2.1
220.09846	5.0
221.10742	40.5
222.11490	28.9
223.12309	36.3
232.11530	1.2
233.10638	4.6
234.11465	6.6
235.12314	6.8
237.12314	7.7
238.12444	2.2
239.11812	5.5
247.12296	5.3
248.13144	2.6
249.10223	6.6
249.13911	33.2
250.14505	2.5
251.15334	1.2
253.13417	2.8
254.10513	5.9
262.10852	1.6
265.09753	1.5
267.11304	16.6
268.12030	2.3
275.11844	8.1
277.10336	1.4
277.13229	5.3
281.11401	3.5
283.10916	1.2
285.12366	3.7
288.27979	1.1
293.12845	11.1
295.07483	10.4
295.14493	2.5
298.12976	1.2
299.13965	4.7
314.15033	3.5
318.16116	3.2
320.17581	9.3
321.12363	13.0
346.15536	10.7
353.15088	4.5
364.16541	1.2
366.18140	100.0
374.14990	3.2
376.33670	1.2
392.15988	3.7
398.20682	2.1
410.17108	26.8
442.13226	21.1
442.19714	67.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
53.18927	2.0
55.01867	8.2
55.05509	4.9
57.03442	2.9
58.06597	4.7
59.04999	1.8
61.02921	2.8
67.05504	5.3
68.99794	2.0
69.03432	7.8
69.07059	5.3
70.80957	4.6
71.04987	1.7
71.08649	2.5
74.65402	2.0
79.05521	2.9
81.03409	4.6
81.07042	3.7
83.04983	2.7
83.08636	1.8
85.02908	6.4
85.06554	2.2
87.00835	4.6
87.04404	1.9
88.11330	2.1
91.05486	11.6
93.07040	4.0
94.06573	4.0
95.08624	3.1
97.02918	3.9
97.06541	5.9
99.04436	2.0
100.11254	3.6
101.53511	1.8
105.01875	2.3
105.07029	2.5
107.08598	2.1
107.20306	2.0
109.02908	4.5
111.04451	2.8
113.02341	2.3
115.05426	2.5
118.96080	2.2
119.08569	6.4
120.08924	2.4
121.06535	3.1
121.10144	2.5
122.06041	13.6
122.10487	2.4
123.11738	2.2
127.03912	8.9
128.04306	1.9
131.04927	2.2
131.08565	2.2
133.10143	4.9
135.11667	1.9
138.10071	2.0
151.07538	5.2
154.05006	5.7
160.80551	1.9
164.07063	5.8
165.09132	2.6
167.08638	2.3
170.15416	7.3
170.92908	2.0
171.15938	1.8
172.06094	2.8
173.74583	1.9
175.14883	3.5
176.15253	3.9
178.16788	3.5
179.08560	1.9
180.49420	1.9
182.15349	2.8
190.08621	2.2
193.15973	2.8
194.08307	3.5
194.16212	3.6
195.08090	6.4
198.14899	5.5
199.15218	4.5
208.08836	3.3
209.06148	2.0
209.09830	2.9
210.14792	4.0
214.08618	3.9
217.08611	1.7
222.09203	4.4
223.07626	2.5
223.09842	1.8
223.63963	1.7
224.08324	6.1
229.11110	4.0
232.08902	2.4
234.09167	3.6
235.09915	5.6
236.08394	2.8
236.10773	7.0
237.11458	4.6
238.09883	16.0
238.12144	4.1
239.10715	14.7
240.10175	3.9
248.10680	2.7
249.11440	4.4
250.08667	6.6
250.12386	4.7
251.10713	7.7
252.10318	5.4
254.11755	3.2
255.12486	3.4
256.13263	4.7
263.10611	8.8
263.13214	2.9
264.10184	20.2
265.11041	7.2
266.11768	57.4
267.12561	2.0
268.13315	5.8
278.11792	13.1
279.12494	6.9
280.10086	2.0
280.13339	56.4
281.14084	20.6
290.13959	21.4
292.13351	3.4
293.14111	3.5
294.11325	8.4
294.14920	19.0
295.12109	4.2
306.14960	2.5
308.12857	4.4
318.11331	2.4
319.12451	2.7
320.12933	2.7
334.14468	2.5
346.10516	2.1
346.14407	2.6
351.12125	2.6
352.15808	3.2
362.13879	4.1
363.12158	2.8
380.14963	85.8
392.14810	11.7
410.16040	100.0
424.20847	2.7
425.32007	5.6
442.18494	31.7
442.24808	22.6
442.34839	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	442.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95531	0.5
55.01836	0.6
55.05493	0.6
56.96539	0.5
58.06606	2.1
59.04979	0.6
67.05472	1.1
69.03407	1.0
69.07052	1.0
69.31672	3.3
69.32085	0.9
71.04980	0.7
79.05507	1.0
80.05015	0.5
81.07030	2.1
84.04522	2.5
85.02873	1.5
91.05494	2.6
93.07023	1.1
95.08590	1.0
97.02864	0.6
97.06513	0.5
98.97579	1.6
105.07001	1.1
107.04947	2.2
107.08583	0.9
107.21749	0.4
108.05731	0.5
109.02901	1.0
109.10123	0.5
115.05449	4.0
117.06982	0.7
119.04905	1.0
119.08563	0.5
121.06477	0.9
121.10176	0.6
122.05975	1.4
122.68422	0.4
127.03922	0.6
129.06990	0.6
131.04948	0.7
136.05173	1.4
136.96149	0.4
137.05977	3.5
143.04924	16.1
145.06436	1.2
146.03613	0.5
146.06021	1.0
146.07211	0.8
147.06743	0.6
149.05920	0.7
150.06693	0.5
151.07552	28.2
156.08072	0.7
158.07272	0.8
159.11679	0.7
160.05208	2.7
161.05940	0.8
163.06317	4.4
163.07582	0.8
164.07030	0.8
165.05490	2.6
165.09068	1.1
172.07527	0.7
174.06755	1.7
175.06244	6.3
175.07561	8.2
176.07074	2.8
177.07755	0.6
177.09100	1.8
178.08641	18.7
184.07571	0.8
188.07079	1.5
189.07707	1.0
189.09085	1.5
190.06331	1.1
190.08643	0.6
191.06973	1.6
200.07120	0.8
201.07849	1.1
202.08635	53.5
203.09375	4.9
204.10211	3.1
205.08673	1.1
212.07040	0.6
214.08536	0.5
215.07063	1.4
216.06577	1.0
216.10165	2.3
218.08154	0.9
219.08029	0.6
222.10428	0.7
225.09135	0.8
226.08644	0.9
229.07344	0.8
230.08092	1.7
231.08884	10.1
232.09685	4.6
234.63412	0.4
235.07684	0.5
239.07228	0.6
239.10747	0.4
244.09723	2.3
247.07303	0.5
249.09166	1.1
251.10648	1.4
253.08595	1.9
253.12195	0.8
254.09433	0.8
265.08563	2.2
267.10104	1.9
268.10931	0.7
270.08990	1.2
279.10211	2.5
280.11118	4.0
281.08105	1.3
281.11664	1.2
285.11227	1.6
288.10159	0.7
290.10178	2.0
290.13522	0.9
291.10965	7.9
293.10413	1.1
294.11227	1.0
295.12027	1.3
296.10361	3.5
300.09970	0.6
302.11606	0.5
306.11273	1.2
308.09470	1.0
308.12833	3.7
310.10699	2.4
311.12750	3.2
313.14294	1.2
320.12759	1.6
322.10855	1.1
322.14279	1.1
323.11502	4.7
324.12396	1.2
325.13138	1.3
332.12775	1.4
334.10751	1.2
336.12372	1.1
338.13882	13.2
340.15466	1.6
348.12326	4.7
349.12949	1.1
350.14050	1.1
352.15485	0.6
354.16953	2.0
364.15460	6.1
366.13461	0.6
367.14090	0.6
382.16501	100.0
383.16742	1.6
442.18628	67.7
443.18988	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.2
55.05493	1.7
56.96567	1.4
57.03430	2.8
58.02930	1.5
58.06602	14.4
59.04994	4.2
61.02915	3.6
67.05521	2.6
69.03429	15.3
69.07054	2.7
71.04992	6.4
71.07175	3.5
72.08160	3.1
73.02909	4.6
79.05482	3.2
81.03421	17.5
81.07057	4.7
83.08598	2.1
84.08100	1.8
85.02906	73.1
86.09718	1.7
87.00879	1.7
91.05488	10.6
93.07043	1.4
94.90307	1.2
95.08604	3.5
97.02904	33.1
97.06535	3.4
99.04456	39.6
103.03947	74.8
105.07018	2.8
107.08598	3.7
109.02892	23.4
109.10170	2.6
118.06534	1.4
119.07340	5.1
119.08590	2.1
121.10165	3.1
123.04449	3.8
127.03922	100.0
131.04999	2.1
133.10146	2.2
136.07582	28.1
137.05992	3.7
145.04967	54.1
156.60582	1.7
159.02928	2.1
163.06024	17.6
169.04987	2.1
175.08647	1.7
175.14827	3.1
176.15201	2.3
177.14931	2.8
177.16399	5.0
184.07443	2.6
187.06064	7.6
191.07141	1.5
205.07069	3.1
238.48460	1.5
253.07161	1.7
256.72372	1.3
269.08136	2.9
271.08096	6.0
289.09113	3.9
290.14102	2.2
293.07587	1.6
307.10046	1.8
442.16492	1.4
442.21973	26.1
453.85355	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80737	1.1
55.01855	4.8
55.05487	1.3
57.03432	2.0
58.06602	13.8
59.04996	1.3
61.45297	1.1
67.05498	3.1
69.03438	1.9
69.07047	1.3
69.70846	3.8
69.71259	3.4
70.02952	4.7
71.04977	1.2
72.08165	1.7
77.57502	1.2
79.05488	2.3
81.03403	1.5
81.07055	2.8
81.42113	1.1
85.02902	3.6
86.82614	1.1
87.00831	3.4
88.01202	1.1
91.05477	4.4
93.07016	2.7
95.08601	2.1
97.02876	2.2
97.06532	4.5
98.97587	2.7
103.05454	1.6
105.07016	2.5
107.08576	2.1
109.02882	1.5
109.06556	1.4
109.10180	2.6
113.02369	3.9
120.60689	1.1
121.06505	5.2
121.10114	1.4
123.11763	1.5
127.03928	1.8
131.04913	2.1
137.05968	4.0
147.04424	1.4
150.06758	1.6
151.07590	5.5
154.05031	7.8
159.04416	3.0
159.59087	1.3
164.07033	3.2
165.09097	4.4
167.08566	2.5
172.06070	2.1
177.06975	2.4
179.08530	1.9
186.09143	1.7
190.08548	1.8
191.07063	1.3
195.08046	4.0
204.06535	3.3
208.08929	2.1
209.08148	1.4
214.08629	3.2
222.09164	3.8
223.07660	1.5
223.09784	1.6
224.08334	6.0
224.10251	1.3
229.11052	4.5
230.11748	2.6
230.15358	1.4
231.05179	1.3
232.06116	3.5
232.08949	3.4
233.05984	1.7
233.80533	1.1
234.09174	3.2
235.09917	5.2
236.10741	8.2
237.09344	1.3
237.11299	5.9
238.09880	13.9
238.12297	3.3
239.10674	15.2
240.10205	3.8
242.11778	3.0
248.08318	2.6
248.10713	3.4
249.09235	1.8
249.11516	5.0
250.08736	4.7
250.12292	3.9
251.10587	10.0
252.10199	5.6
253.10838	1.6
255.12474	3.1
256.09793	1.2
256.13348	4.3
259.07623	1.3
263.10748	10.8
263.13129	1.5
264.10214	18.8
265.10858	6.4
266.11789	54.1
267.12369	3.4
268.13397	9.1
275.10599	2.2
276.10355	2.4
278.11743	13.0
279.12592	8.2
280.10214	2.3
280.13309	54.8
281.14087	24.3
282.14737	2.9
283.10715	5.4
288.10309	1.2
290.13928	42.0
292.10126	1.7
292.13400	4.9
293.14157	3.8
294.11252	11.1
294.14896	16.6
295.11877	1.9
296.12866	3.3
296.16174	1.7
299.09821	1.3
301.11804	5.4
301.20093	2.2
302.12003	1.6
304.09354	1.2
306.11374	1.8
306.14914	1.5
308.12753	4.2
317.11508	1.6
318.11252	2.3
319.13046	6.0
320.12857	2.7
322.10941	1.3
322.14490	2.7
324.15851	1.4
330.11401	2.0
332.12708	1.4
334.14417	3.8
336.15988	2.3
337.12946	2.3
346.10648	3.1
347.12067	2.4
348.12473	2.0
351.12100	2.2
352.15390	3.8
362.13803	4.4
363.12164	3.4
364.11630	2.2
378.14301	1.7
380.14957	82.6
381.14886	1.3
392.14627	9.3
410.16016	100.0
411.16281	2.2
425.19760	1.5
442.18338	26.5
442.23529	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	442.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23034	0.6
50.91306	0.7
53.03952	4.1
53.93454	0.8
54.67109	0.7
55.01863	3.7
57.03432	1.7
58.06606	6.9
61.02913	2.5
65.03922	1.0
67.05515	1.0
68.99788	0.8
69.03433	9.5
69.31768	1.9
69.32172	5.9
70.06570	0.8
71.04997	3.3
73.02911	3.5
79.05482	2.5
81.03419	11.8
81.07079	1.2
85.02908	27.2
85.06576	1.1
87.00837	10.8
91.05481	100.0
93.07057	1.1
95.04961	1.1
97.02897	16.9
97.06528	2.0
98.97606	1.1
99.04441	5.2
103.05471	2.0
104.05010	0.8
105.01862	8.8
105.07021	1.9
106.06554	2.3
107.08566	1.2
109.02879	15.4
116.04963	1.9
117.01837	1.4
117.05757	3.3
118.51526	0.8
119.44420	0.9
121.06501	3.2
123.04428	1.5
127.02966	1.2
127.03920	22.5
129.01843	1.0
131.04903	0.9
132.08203	0.9
134.06012	37.7
136.77162	0.8
137.05983	1.2
145.04968	7.5
147.02914	1.1
151.61290	0.7
152.07040	2.2
159.02901	6.5
159.04266	1.8
162.05515	6.8
177.04059	0.8
180.06569	26.7
185.04224	0.8
191.07040	0.9
194.08130	44.3
197.65623	0.9
201.03801	1.1
203.05289	1.7
213.04001	3.6
218.63536	0.7
230.15419	0.9
231.04922	2.5
236.73105	0.8
263.19693	1.3
264.10275	0.9
289.05661	1.0
290.13864	4.3
301.20218	1.7
304.19019	0.9
311.98367	0.9
334.85983	0.9
356.17493	3.1
396.18033	0.9
398.18668	8.6
441.24252	1.8
442.17548	32.0
442.24728	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	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.25564	3.3
55.05497	16.5
57.07067	5.7
63.73600	3.8
67.05511	24.6
69.07066	33.4
69.79871	6.6
69.80280	14.3
79.05491	8.6
81.07055	52.9
83.08614	13.6
91.05457	12.8
93.07045	33.6
94.74167	3.6
95.08613	100.0
95.09230	5.5
95.70785	3.3
97.06516	4.6
97.10176	9.1
103.24744	3.3
105.07022	19.5
107.08601	47.4
109.10159	76.5
111.11716	9.5
117.07040	6.6
119.08586	43.2
121.06502	7.5
121.10143	42.8
123.08020	5.1
123.11701	25.9
125.09644	5.2
131.08569	6.8
133.10135	23.7
135.11684	29.6
137.13277	23.6
138.96555	3.6
143.08620	6.3
145.10101	13.3
147.11681	21.0
149.13246	17.7
151.14810	4.8
157.10132	8.7
159.11693	17.5
161.13249	15.6
163.14798	15.2
171.11618	4.9
173.13240	13.4
175.14830	16.8
177.16362	11.7
179.14240	6.2
181.31702	4.0
187.14842	20.3
189.16365	12.6
191.17937	24.8
199.14827	12.2
201.16446	8.2
203.17964	9.1
205.15839	4.5
205.19505	17.2
213.16278	5.9
215.17870	5.7
217.15981	7.4
217.19511	11.9
219.17694	9.2
219.21133	5.6
227.17966	5.2
229.19476	7.7
231.17398	6.6
231.21059	12.8
235.16888	9.9
241.19667	3.4
243.21144	5.6
245.22644	6.7
271.97989	3.7
293.96036	4.2
323.27271	5.4
395.31335	11.2
405.35190	66.1
406.35159	4.5
423.36200	45.9
441.31763	81.4
441.37228	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	441.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39639	3.6
55.05505	13.0
55.97974	3.6
57.07076	9.3
67.05504	23.7
67.41757	3.4
69.07076	30.5
69.83338	22.2
72.04524	11.5
73.04839	3.6
79.05496	9.4
81.06644	5.0
81.07069	55.7
83.08625	15.0
83.80267	3.4
91.05482	15.4
93.07053	30.4
95.08620	88.4
97.10162	10.9
101.06030	3.6
105.07053	22.4
107.08604	57.9
109.10165	70.7
109.10915	4.5
111.11723	5.8
119.08584	32.1
121.10150	51.6
123.08073	4.9
123.11709	36.1
127.07559	4.4
133.10121	30.3
135.11702	28.7
137.13318	21.0
145.10115	4.8
147.11722	19.4
149.13275	21.4
153.09166	7.0
159.11736	5.5
161.13248	16.4
163.14854	10.6
173.13324	5.2
175.14851	12.4
179.10643	3.8
181.12274	6.5
189.16402	13.5
191.18018	10.0
195.13847	7.4
203.18039	7.3
205.19539	17.2
215.17888	5.1
217.19495	11.9
223.16960	10.5
229.19533	7.1
231.21072	13.5
245.22722	31.7
257.22699	11.6
259.24203	6.3
271.24222	10.7
277.21609	6.3
303.23257	9.3
317.24817	5.0
423.43906	8.8
441.37250	100.0
441.44757	23.4
459.76184	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	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01865	1.9
55.05515	2.4
57.03444	1.4
59.05005	0.8
61.02929	0.6
67.05508	5.1
67.05843	0.7
69.03430	15.7
69.07068	4.1
69.31498	3.1
69.31898	1.0
71.04991	1.9
73.02926	1.1
79.05497	2.2
81.03422	11.5
81.07049	6.2
83.04990	1.2
83.08620	2.0
85.02904	6.7
87.00832	3.0
91.05479	2.9
93.07041	4.7
95.04969	2.5
95.08606	6.6
97.02908	5.5
97.06519	1.1
97.10176	0.5
99.04436	4.5
100.26338	0.5
105.01877	1.8
105.07042	3.4
107.04981	0.6
107.08599	7.8
109.02882	10.1
109.06538	4.4
109.10160	10.4
111.08076	5.7
111.27799	0.5
117.07030	0.6
119.08597	8.2
121.10145	3.8
122.06008	1.0
123.04434	0.6
123.08091	3.5
123.11736	2.4
125.09595	1.2
127.03922	10.7
127.04802	0.8
131.08582	0.7
133.10138	6.9
134.23660	0.5
135.08081	0.6
135.11690	9.7
137.09619	100.0
138.09999	0.6
140.98712	0.6
143.08641	0.6
145.04973	2.6
145.10121	1.2
147.11658	1.7
149.13252	0.9
151.11208	1.1
151.14832	1.0
152.76511	0.5
157.10211	0.5
158.99661	0.6
159.02931	0.8
159.08006	0.6
159.11703	0.9
165.12830	0.7
173.13284	1.2
175.14842	14.1
177.16357	0.8
193.15886	93.5
209.28957	0.5
213.03893	0.9
217.15848	1.0
231.05019	5.7
246.65863	0.5
249.06009	1.1
365.15173	0.7
441.21469	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	441.3728
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05512	1.5
57.07066	0.7
65.72464	0.3
67.05512	3.1
69.03423	1.1
69.07076	4.0
69.54031	0.7
69.54428	2.4
73.79352	0.3
79.05480	1.3
80.26381	0.3
81.07063	7.6
82.44669	0.3
83.04987	2.6
83.08623	1.4
85.06554	2.5
87.46960	0.3
91.05486	1.7
93.07052	5.2
95.04978	1.2
95.08611	12.8
97.06530	0.9
97.10165	0.9
98.45956	0.4
105.07025	3.0
107.08598	9.0
109.06517	1.2
109.10163	7.5
111.08089	1.1
111.11716	1.1
119.08581	4.4
121.06501	1.0
121.10153	6.9
123.08078	1.4
123.11711	5.0
125.09633	0.7
131.08588	1.1
133.10135	3.9
135.08067	2.8
135.11693	8.5
137.09602	1.1
137.13257	2.9
139.11183	0.6
145.10120	1.8
147.11649	2.6
148.14380	0.4
149.09633	12.0
149.13251	2.5
151.11171	0.5
153.12776	0.4
157.10106	0.7
159.11710	2.2
161.09583	1.0
161.13258	1.7
161.55348	0.4
163.11192	1.1
163.14873	1.8
165.12689	0.5
171.11719	0.7
173.13266	1.5
175.11235	0.7
175.14827	2.7
177.12685	0.4
177.16393	2.2
185.13321	0.6
187.14864	1.3
189.16382	3.1
191.10692	0.4
191.14427	0.4
191.17937	4.9
191.19563	0.4
199.14827	0.6
201.16356	0.9
203.17903	0.8
205.19522	1.7
213.16368	0.7
215.17972	3.5
217.15988	0.8
217.19579	0.5
229.19473	0.7
231.17519	1.2
233.19014	4.3
235.16956	1.6
243.21365	0.5
245.19121	1.0
247.20538	0.8
257.22754	0.4
259.20599	0.5
259.24399	0.5
261.22162	0.5
263.20294	0.4
269.22626	0.8
287.23706	7.0
301.25610	0.4
322.90421	0.4
388.99759	0.4
392.78061	0.4
405.35461	0.6
423.36221	2.8
441.37314	100.0
442.37772	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	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.8
55.01871	18.9
55.05515	20.0
56.96554	4.6
57.03437	7.5
57.07066	6.9
59.04975	3.6
61.02927	14.7
61.42616	2.4
67.05522	16.7
68.99789	13.8
69.03436	46.8
69.07064	29.7
70.06583	2.7
71.01353	3.3
71.04974	7.7
71.08629	12.2
73.02913	13.4
78.23512	3.1
79.05495	14.7
81.03416	33.6
81.07062	20.4
82.06562	6.2
83.04972	11.6
83.08616	18.7
84.08154	4.3
84.48927	2.6
85.02904	50.7
85.06548	6.9
87.00838	25.9
88.11276	11.2
91.05478	16.1
93.07076	15.3
95.04956	12.1
95.08611	30.7
97.02888	26.3
97.06522	10.0
97.10120	3.6
98.97594	10.6
99.04454	11.4
100.07622	12.3
100.11284	25.6
103.03986	2.7
105.01875	11.9
105.07015	19.4
107.08610	30.2
109.02875	33.5
109.06518	10.6
109.10155	24.5
110.06039	3.2
111.04459	19.4
111.08086	18.1
115.03954	7.1
116.98610	3.1
117.07032	4.6
119.04881	4.8
119.07793	4.9
119.08595	64.1
121.06525	5.5
121.10151	40.9
123.08083	14.0
123.11694	8.1
125.05993	7.7
127.03926	45.0
128.07086	10.6
129.01837	16.8
129.53535	2.8
131.08595	5.8
133.06474	4.0
133.10150	44.6
135.08081	4.7
135.11697	20.6
137.05956	7.5
137.09625	25.4
138.10410	8.0
139.03911	4.0
139.11169	2.8
140.07137	4.0
145.04970	8.4
145.10133	12.5
147.02893	9.7
147.04448	3.3
147.11681	22.8
149.09633	7.1
149.13307	7.7
151.14883	3.7
152.14403	3.1
153.12712	4.2
157.10152	5.8
159.02895	8.6
159.11705	8.9
161.09662	6.8
161.13217	3.9
163.07675	3.4
163.11201	8.1
165.12784	6.2
165.16399	2.8
170.15419	58.4
171.11742	4.5
173.13283	15.7
175.11215	4.7
175.14830	72.1
177.09097	3.4
177.12677	3.4
177.16399	50.9
181.05101	4.1
182.15388	29.7
185.09671	2.9
185.13336	3.7
187.14790	6.5
189.03981	4.6
191.14293	15.7
193.15904	51.8
198.14899	33.8
199.06027	5.2
199.14973	2.9
203.14363	3.6
205.15860	19.2
207.06534	3.1
209.16472	7.8
210.14902	37.8
211.16936	3.6
213.04018	3.8
215.14304	3.4
217.15887	4.7
227.17564	6.8
228.15813	5.0
229.16046	4.0
231.05000	5.6
235.16904	5.8
237.02856	3.2
244.20169	10.7
259.16949	4.9
266.11591	3.5
283.17020	7.2
297.25397	4.8
301.17963	9.4
303.07187	5.3
313.12881	4.2
314.28067	7.9
329.15714	4.9
337.20847	9.8
343.66983	2.9
354.23846	9.5
355.03415	3.4
355.17032	4.2
361.15790	3.1
387.18063	4.8
397.18680	2.8
397.24164	5.3
405.19055	11.1
410.15994	6.5
423.19855	14.9
423.33353	6.2
424.31830	27.9
441.15942	4.1
441.25235	100.0
441.34164	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	441.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
53.06701	0.7
55.01862	2.6
55.05509	5.2
55.51133	0.8
56.97957	0.7
57.03429	2.1
57.07069	1.8
61.02915	1.3
61.25471	0.8
61.25781	0.9
63.90060	0.8
65.03935	1.3
67.05508	5.5
68.89154	0.7
68.99756	1.5
69.03432	10.9
69.07069	11.4
69.61534	0.8
69.64098	5.7
69.66163	0.7
71.04984	1.7
72.99335	0.8
73.02901	2.4
79.05498	4.6
81.03420	5.2
81.07063	7.8
83.04984	1.3
83.08635	4.7
85.02907	22.1
85.06554	4.3
87.00832	8.0
91.05469	6.5
93.07056	11.0
95.04945	1.4
95.08611	18.5
97.02896	15.4
97.06544	2.2
99.04465	2.4
99.08066	1.0
101.02380	2.6
103.05492	1.1
105.01881	9.5
105.03139	0.8
105.07032	14.6
107.08605	20.8
109.02895	6.1
109.06527	2.5
109.10174	12.6
111.04435	0.8
111.08080	2.0
113.02364	1.2
115.03951	2.4
117.01840	1.1
117.07008	2.3
119.08590	38.4
121.06525	1.0
121.10147	31.9
121.11021	1.8
123.08080	1.7
123.11714	2.8
125.02358	6.2
125.09613	1.1
127.03914	14.1
129.01799	1.6
129.07021	1.0
131.06990	0.9
131.08563	3.6
133.10135	33.7
134.10944	1.5
135.08090	1.7
135.11696	7.6
137.09633	1.6
139.19312	0.9
143.03380	2.5
143.08565	0.9
145.04958	4.2
145.10138	7.3
147.02985	1.0
147.08102	0.8
147.11694	9.6
149.09627	1.6
149.13268	3.7
157.10098	1.9
159.02870	3.2
159.11673	4.2
160.12518	0.8
161.13274	7.6
166.38223	0.9
172.12466	1.2
173.09775	0.9
173.13293	4.2
175.14835	100.0
177.16383	29.0
187.14830	8.9
189.04004	1.7
189.16402	1.9
193.15895	11.7
197.13228	1.0
199.14960	1.0
201.03815	0.9
203.10695	0.9
205.15881	22.5
217.15822	1.0
227.14307	1.0
229.03558	1.5
229.15883	2.1
231.05016	3.7
241.16081	1.6
247.04643	1.3
247.16951	1.4
249.06111	2.1
259.17123	1.0
265.15961	1.7
283.16916	2.7
293.75534	0.9
301.17953	3.4
309.07541	2.4
319.19138	1.4
337.19931	1.1
363.08975	1.3
369.16833	1.0
387.18149	1.1
405.19031	3.5
423.20193	3.8
441.21249	10.8
442.22107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
53.06701	0.7
55.01862	2.6
55.05509	5.2
55.51133	0.8
56.97957	0.7
57.03429	2.1
57.07069	1.8
61.02915	1.3
61.25471	0.8
61.25781	0.9
63.90060	0.8
65.03935	1.3
67.05508	5.5
68.89154	0.7
68.99756	1.5
69.03432	10.9
69.07069	11.4
69.61534	0.8
69.64098	5.7
69.66163	0.7
71.04984	1.7
72.99335	0.8
73.02901	2.4
79.05498	4.6
81.03420	5.2
81.07063	7.8
83.04984	1.3
83.08635	4.7
85.02907	22.1
85.06554	4.3
87.00832	8.0
91.05469	6.5
93.07056	11.0
95.04945	1.4
95.08611	18.5
97.02896	15.4
97.06544	2.2
99.04465	2.4
99.08066	1.0
101.02380	2.6
103.05492	1.1
105.01881	9.5
105.03139	0.8
105.07032	14.6
107.08605	20.8
109.02895	6.1
109.06527	2.5
109.10174	12.6
111.04435	0.8
111.08080	2.0
113.02364	1.2
115.03951	2.4
117.01840	1.1
117.07008	2.3
119.08590	38.4
121.06525	1.0
121.10147	31.9
121.11021	1.8
123.08080	1.7
123.11714	2.8
125.02358	6.2
125.09613	1.1
127.03914	14.1
129.01799	1.6
129.07021	1.0
131.06990	0.9
131.08563	3.6
133.10135	33.7
134.10944	1.5
135.08090	1.7
135.11696	7.6
137.09633	1.6
139.19312	0.9
143.03380	2.5
143.08565	0.9
145.04958	4.2
145.10138	7.3
147.02985	1.0
147.08102	0.8
147.11694	9.6
149.09627	1.6
149.13268	3.7
157.10098	1.9
159.02870	3.2
159.11673	4.2
160.12518	0.8
161.13274	7.6
166.38223	0.9
172.12466	1.2
173.09775	0.9
173.13293	4.2
175.14835	100.0
177.16383	29.0
187.14830	8.9
189.04004	1.7
189.16402	1.9
193.15895	11.7
197.13228	1.0
199.14960	1.0
201.03815	0.9
203.10695	0.9
205.15881	22.5
217.15822	1.0
227.14307	1.0
229.03558	1.5
229.15883	2.1
231.05016	3.7
241.16081	1.6
247.04643	1.3
247.16951	1.4
249.06111	2.1
259.17123	1.0
265.15961	1.7
283.16916	2.7
293.75534	0.9
301.17953	3.4
309.07541	2.4
319.19138	1.4
337.19931	1.1
363.08975	1.3
369.16833	1.0
387.18149	1.1
405.19031	3.5
423.20193	3.8
441.21249	10.8
442.22107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01875	4.6
55.05509	4.9
55.54781	2.0
57.03428	4.1
57.07060	3.0
58.06590	3.2
59.05002	3.2
61.02923	3.6
63.02380	2.0
64.01353	2.0
67.05503	10.6
68.99795	4.3
69.03430	17.5
69.07064	18.2
70.36439	2.0
71.04997	3.7
71.57334	3.2
73.02910	6.9
79.05493	8.5
81.03427	13.5
81.07059	17.9
83.04979	5.7
83.08624	9.7
84.04511	4.5
85.02907	35.3
85.06531	4.9
86.09690	5.9
87.00826	9.3
91.05465	7.3
93.07042	18.0
95.04946	5.7
95.08614	25.7
97.02909	15.4
97.06514	3.3
98.97579	3.4
99.04454	5.5
99.08103	3.3
101.02383	2.0
105.01884	9.9
105.07040	17.4
107.08585	24.8
109.02902	13.9
109.06496	3.7
109.09467	2.9
109.10157	34.0
111.08076	3.6
117.06992	7.6
119.04914	2.3
119.08586	47.9
121.06459	2.4
121.10138	29.9
123.08051	4.3
123.11702	4.7
125.02343	4.8
125.09613	2.2
125.20264	1.9
127.03922	28.3
131.07014	3.1
131.08554	5.4
133.10127	42.6
135.08061	3.5
135.11694	30.1
137.06010	2.5
137.09610	7.9
139.07500	2.2
143.08533	2.7
145.04958	5.2
145.10126	12.8
147.11700	11.8
149.05951	2.4
149.13246	7.4
151.14868	2.2
159.02930	4.9
159.11681	5.2
161.05952	2.2
161.13275	8.3
171.11754	3.9
173.13277	5.6
174.14792	2.0
175.11418	2.8
175.14836	100.0
177.16408	27.5
184.07372	2.7
187.06053	4.0
187.14816	8.7
193.06447	2.7
193.12054	3.0
193.15903	27.7
205.15889	20.5
211.16844	11.5
213.03998	8.6
215.14366	2.4
217.15938	2.5
231.04933	7.5
241.15970	2.4
283.16953	3.7
289.05206	3.1
290.13803	2.9
301.17966	4.7
319.18845	2.3
355.17307	6.0
397.18231	20.6
397.24094	6.9
405.18808	4.7
423.20059	8.0
424.21118	2.4
441.17252	73.2
441.24731	48.1
442.22272	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	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18088	0.5
52.40461	0.5
55.01876	1.1
55.05508	0.8
57.03444	0.8
58.06601	1.0
61.02921	0.6
66.91829	0.6
67.05502	0.7
69.03424	1.6
69.07085	0.8
69.45602	3.0
71.04990	1.0
72.08179	0.7
73.02900	0.6
76.02257	0.7
79.05495	1.5
81.03408	2.0
81.07059	2.4
84.04510	1.1
85.02901	2.9
87.00830	1.4
90.05609	0.6
90.19062	0.5
91.05492	9.3
91.46305	0.6
93.07035	1.6
95.04957	0.6
95.08616	0.9
97.02893	2.1
97.06522	0.9
98.97608	0.6
99.04456	0.6
102.37278	0.5
103.98180	0.5
105.01936	0.6
105.07034	1.0
107.08585	1.2
109.02861	1.4
109.10170	0.8
117.07053	0.5
119.08598	0.8
121.10136	0.8
127.03949	2.5
133.10181	0.8
134.06050	3.5
135.11711	1.6
137.05952	1.2
145.04967	1.1
165.15306	0.6
180.06595	2.2
185.04256	1.0
193.12057	2.7
194.08096	3.6
201.03726	6.1
203.05284	6.9
205.86301	0.6
245.06293	3.3
261.18246	1.7
263.07321	0.6
263.19879	7.5
286.15622	0.6
289.05289	4.1
291.06561	0.5
337.07275	1.7
355.17258	10.0
379.17352	0.7
397.18359	31.6
423.10974	0.9
441.17313	100.0
441.24551	97.4
442.17542	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83464	1.8
53.03942	2.4
55.01864	7.4
55.05518	10.9
57.03445	15.3
57.07085	2.8
59.40620	1.6
61.02932	15.7
67.05501	3.5
67.98132	1.7
69.03439	32.8
69.07078	57.9
71.01340	5.1
71.10449	3.1
71.10771	1.9
73.02927	86.8
74.00217	1.6
79.05482	2.4
80.06290	2.0
81.03423	6.7
81.07066	2.7
83.04953	1.9
85.02914	100.0
87.04462	5.3
91.03948	2.2
91.05474	2.2
93.07010	2.2
95.08599	3.3
97.02285	3.2
97.02901	60.6
97.21627	2.0
98.21339	1.8
99.04449	4.5
103.03927	3.8
105.07072	2.3
107.08638	2.4
109.02900	9.3
111.11732	27.2
115.03939	29.2
122.02789	2.0
127.03084	2.7
127.03940	35.5
133.03979	3.3
133.04973	39.3
145.04977	47.3
150.07639	4.7
163.06027	24.3
169.04895	1.9
178.64900	2.2
189.12741	1.8
193.05060	1.9
197.42348	1.9
199.05927	3.1
217.07013	3.0
223.06013	8.9
225.14844	2.6
226.43675	1.9
241.07083	11.2
243.15971	5.3
259.08148	13.4
277.09293	2.7
295.10229	4.9
328.15601	2.3
440.24228	7.5
441.24258	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	440.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01874	7.8
55.05510	11.5
55.05758	1.2
57.03441	21.7
57.07069	0.9
59.05006	1.6
60.69486	0.7
61.02931	14.5
67.05511	3.7
69.03434	37.9
69.07071	66.7
70.11433	2.6
71.01341	5.3
71.04998	2.3
73.02921	88.8
79.05501	1.3
81.03426	7.2
81.07056	3.0
83.01342	0.9
83.04993	1.8
83.08607	1.1
85.02909	100.0
87.04485	4.7
91.03972	4.2
91.05469	1.3
93.07068	1.2
95.05009	1.4
95.08607	2.3
96.04500	0.7
97.02895	61.7
98.21521	0.8
99.04464	5.0
103.03960	3.5
105.07059	1.2
107.04983	0.9
107.08614	1.1
108.45561	0.7
109.02886	7.4
109.06549	1.1
109.10208	1.7
111.04462	1.5
111.11725	34.1
115.03937	30.9
121.06559	0.9
121.10161	1.7
123.04443	1.5
123.11761	1.8
127.03925	28.6
132.06586	1.4
133.04971	36.5
137.06007	1.3
143.03397	0.9
144.06563	1.1
145.04967	41.9
147.11717	1.1
150.07660	3.2
151.07533	1.0
151.11098	0.9
153.12671	1.0
157.05089	0.9
161.13271	0.9
162.07674	1.0
163.06030	19.3
165.12703	1.7
169.04913	0.7
175.14983	0.8
184.07362	1.1
193.05055	2.2
193.16006	0.8
195.13860	1.1
199.06085	1.3
207.13799	1.5
217.07114	1.6
223.06001	6.5
225.14906	3.0
241.07077	9.0
243.15820	3.8
255.16116	1.0
259.08127	11.0
273.17010	1.2
277.09238	2.3
295.10223	4.1
308.20645	0.9
328.15411	1.3
396.23712	1.5
424.20776	0.7
440.24634	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	440.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
55.05473	0.7
57.03423	1.1
61.02911	0.5
67.05460	0.5
69.03388	1.9
69.07066	2.7
70.23022	0.5
70.61658	1.5
73.02921	4.0
74.49276	0.4
79.05503	0.4
81.00678	0.5
81.03409	0.4
81.07014	0.5
84.74509	0.4
85.02914	3.7
91.05443	0.9
93.07021	0.7
97.02889	3.1
98.97539	0.5
109.02927	0.5
111.11665	1.4
115.03889	1.3
127.03880	1.5
133.04930	1.7
135.11720	0.4
145.04897	1.7
150.06618	0.7
151.07497	1.5
163.05997	0.8
164.07097	3.1
165.09071	0.6
177.07732	0.5
179.09377	1.7
196.67218	0.5
215.08510	0.5
221.08376	0.9
222.14911	0.7
231.07959	0.5
233.08287	0.7
234.09174	2.3
235.09924	14.3
236.10690	8.3
247.09967	1.5
248.10631	0.9
249.11514	0.5
260.10727	1.5
262.08643	1.9
262.12244	1.8
263.07056	0.6
263.09381	3.4
264.10208	51.6
265.10678	1.0
272.10901	1.1
274.08774	0.5
275.09534	1.1
276.10214	3.4
277.10974	1.9
278.11890	1.0
279.12552	53.2
280.13028	1.6
288.10147	1.9
288.16031	0.6
290.08438	1.1
290.11734	6.3
291.12378	0.7
292.13324	1.2
300.10135	0.9
302.11679	1.0
303.12555	0.5
304.09750	2.6
304.12820	0.6
306.11267	2.1
306.14893	1.2
309.67987	0.5
315.13403	0.6
316.09653	0.5
318.11325	5.0
319.12064	1.5
328.09885	0.6
328.15439	0.8
330.11212	1.7
332.09103	1.1
334.14355	5.5
345.09930	0.5
346.10699	4.2
347.11444	1.1
358.10855	1.0
359.11426	1.4
360.08609	0.9
361.09381	0.8
362.14035	1.3
374.10239	12.4
375.10977	2.4
377.12775	0.8
390.13364	85.5
391.13690	1.7
396.23785	2.7
408.14438	100.0
409.14676	2.4
416.56158	0.5
440.17062	37.0
440.26349	3.9
441.17343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.71682	3.8
55.05515	11.1
57.07081	10.5
60.06055	3.6
63.14831	3.3
67.05504	15.3
69.07067	25.2
69.80577	19.4
79.05491	7.7
81.07070	41.3
83.08626	10.9
89.06036	14.2
91.05491	8.6
93.07038	20.4
95.08611	63.2
95.65546	3.7
97.10135	5.1
98.20756	6.8
105.07040	26.0
107.08591	41.9
109.06529	6.0
109.10178	47.1
111.08118	3.7
111.11775	5.6
119.08598	31.5
121.10146	39.5
123.11705	27.1
131.08607	8.4
133.08594	9.3
133.10135	26.9
135.11710	29.1
137.13278	14.7
145.10097	24.3
146.06104	3.9
147.11674	21.3
149.09601	5.5
149.13274	17.7
151.11200	4.2
157.10141	11.9
158.37175	3.8
159.11688	22.2
161.09604	4.7
161.13240	8.9
163.11234	5.8
163.14896	9.2
171.11693	5.4
173.13274	22.8
175.14845	20.6
177.12827	5.8
177.16434	9.0
183.11761	4.6
185.13319	5.0
187.14810	14.2
189.16383	10.3
191.14296	7.6
191.17950	39.2
199.14803	9.0
201.16341	9.4
203.14351	9.0
203.17944	8.1
205.06180	4.5
205.19603	9.5
212.15759	4.2
213.16347	5.1
215.14247	4.4
215.17975	6.7
217.15976	7.4
217.19553	14.0
221.15276	5.6
225.16284	6.2
229.15897	6.6
231.17258	4.6
231.21082	7.7
233.15424	11.0
235.16916	41.5
237.98669	4.1
239.14940	13.7
240.15288	10.4
257.18979	6.7
261.18591	5.2
275.20114	4.6
309.25626	5.4
311.27170	4.3
317.62985	4.6
353.31921	6.7
403.33737	11.4
421.34778	48.0
439.35754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00661	2.1
53.72444	2.2
55.72610	1.9
57.07080	100.0
59.05008	31.7
60.88832	2.0
69.07082	3.2
71.08638	73.0
71.09454	5.3
81.07053	2.4
85.10189	65.6
87.04462	3.2
87.08117	2.2
89.06044	10.2
90.01924	8.4
90.06340	2.1
97.10142	2.0
99.11739	12.7
108.67986	2.0
113.13281	2.3
117.09145	8.8
132.04849	2.1
133.08594	2.1
141.16406	2.0
155.17963	5.8
155.56528	2.1
191.35852	2.2
192.08778	2.5
199.20537	3.2
213.22176	6.8
239.14902	5.3
240.15172	4.5
257.24695	4.1
271.26395	4.0
304.87579	2.3
340.26236	2.0
387.67200	2.1
439.34708	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05524	4.0
59.05009	0.9
67.05510	6.3
69.03432	1.3
69.07076	5.2
71.19789	1.2
78.56303	0.6
79.05492	2.0
81.07066	7.2
83.04981	1.3
83.08608	2.3
86.09707	0.6
89.06036	2.5
91.05473	1.4
93.07060	6.2
95.04973	1.4
95.08616	42.3
97.06568	0.9
97.10153	0.7
105.07011	3.8
107.08601	8.0
109.06544	2.4
109.10172	9.2
110.79294	0.6
111.08082	1.7
111.11723	1.3
119.08611	7.2
121.06554	1.4
121.10160	7.8
121.10959	1.1
121.17403	0.6
123.08097	3.5
123.11711	4.8
131.08583	1.8
133.08646	1.2
133.10141	7.5
135.08046	2.1
135.11694	5.7
137.09578	1.0
137.13264	3.3
143.08484	0.7
145.10155	4.3
147.08047	1.0
147.11700	4.8
149.09659	5.6
149.13246	3.1
151.11177	0.9
157.10104	1.5
159.08102	1.3
159.11688	3.4
161.09586	0.7
161.13292	2.0
163.11220	1.7
163.14822	1.4
165.12808	0.7
165.72472	0.7
171.11734	1.0
173.09663	1.5
173.13249	3.2
175.11121	0.9
175.14868	3.0
177.12730	0.9
177.16411	1.0
181.12305	0.6
185.13268	0.9
187.14874	2.3
189.12741	1.1
189.16408	4.6
191.14261	0.9
191.17979	4.1
197.13231	0.7
199.14835	1.1
201.16360	1.2
203.17958	1.4
205.15906	1.4
207.17537	1.7
211.14914	0.9
213.16415	0.8
215.14359	1.7
215.17981	1.3
217.15923	2.2
229.15852	0.7
229.19592	0.7
231.17462	1.2
233.15401	1.2
233.19051	1.0
239.14923	1.6
240.15343	1.2
241.19214	0.6
243.17438	0.9
243.21228	1.4
259.20618	1.1
261.22165	0.7
275.26196	0.7
283.20718	1.7
285.22101	0.7
287.23721	1.9
301.21603	0.9
309.25797	0.8
313.25262	1.2
327.26843	5.4
357.27570	0.9
367.29861	0.7
381.31570	2.4
421.34683	30.5
422.34982	0.6
439.35760	100.0
440.36057	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	439.1585
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
50.50325	0.3
50.61909	0.3
56.96577	0.5
69.03409	0.5
69.07029	0.4
70.01191	1.1
70.01582	0.8
70.06572	1.1
72.08134	0.4
74.06081	0.4
81.03413	0.4
84.04516	0.4
84.08150	0.5
85.02908	1.1
91.05486	0.9
92.05814	0.5
94.50111	0.4
98.97569	0.5
105.78096	0.4
116.98616	0.5
120.08117	1.4
121.02826	0.6
136.06201	0.6
137.06006	1.1
138.06328	0.8
140.02771	0.4
145.04924	0.4
147.04475	0.5
163.02751	1.0
186.09088	0.4
197.69009	0.3
207.05423	0.8
219.01608	0.4
224.12822	0.5
233.06940	0.5
235.09178	0.4
251.08044	0.4
277.09625	1.0
307.06036	0.6
325.07053	0.9
365.10040	0.5
421.09241	0.8
421.17307	0.4
439.15771	100.0
440.16113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01882	0.5
55.05514	1.8
57.03447	0.8
57.07078	0.7
57.67307	0.4
65.03963	0.5
67.05499	3.1
68.56738	0.4
69.03429	6.9
69.07049	1.8
70.72507	0.7
71.05022	0.5
77.03958	0.6
79.05491	5.0
81.03415	2.4
81.07060	6.2
82.03783	0.5
83.04980	2.3
83.08636	1.2
85.02908	2.9
85.06548	0.6
87.00839	1.3
91.05482	6.3
91.06017	0.5
93.07047	3.5
95.04969	3.5
95.08614	2.3
97.02906	1.3
97.06540	0.6
99.04475	0.7
103.05510	0.5
105.01881	1.4
105.04495	0.4
105.07028	7.2
105.07678	0.6
107.04958	3.6
107.08595	16.7
109.02888	2.8
109.06509	2.3
109.10157	6.5
111.04424	0.5
115.05477	1.6
117.07011	1.4
119.04907	0.5
119.06075	0.4
119.08579	3.8
121.06528	2.0
121.10148	10.3
122.07280	5.8
123.04433	0.5
123.08086	1.4
127.03919	3.5
130.05028	0.6
131.04944	0.4
131.08554	3.2
133.10132	100.0
134.10475	0.8
135.08063	5.8
135.11703	1.5
137.06009	1.5
137.09618	49.1
138.09906	0.5
143.08543	1.1
144.09314	0.4
145.04976	0.6
145.10129	1.5
147.04439	0.5
147.08047	0.4
147.11731	2.2
149.09608	4.3
149.12051	0.5
149.13252	7.8
151.11171	0.5
157.10118	0.5
158.10893	1.6
159.11682	0.4
163.11189	0.4
163.14828	2.4
173.09651	0.5
173.13260	5.7
175.11143	0.4
177.12747	0.4
187.07430	0.4
189.12766	0.5
191.14307	41.0
192.14627	0.6
193.12218	0.4
201.12738	0.6
203.14258	0.4
207.13586	0.4
213.03917	0.8
219.58778	0.4
231.05014	0.7
273.14938	0.4
307.05698	0.4
335.18521	0.7
404.21402	0.6
421.18539	0.8
439.24380	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	439.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99690	2.8
58.84737	2.3
58.99862	3.1
70.06563	4.0
70.63135	3.5
70.63449	4.0
82.99844	2.9
85.02931	2.7
96.92241	18.0
99.02962	5.0
101.00874	22.4
103.02430	6.2
113.00862	3.8
115.02436	7.7
117.03998	24.1
119.01923	44.7
121.03426	3.2
126.98804	3.3
127.02441	14.9
129.04012	2.7
131.01898	7.2
133.03479	11.9
135.05040	8.4
137.03017	4.5
143.01859	12.2
143.64459	2.6
144.99809	8.9
145.03471	69.5
147.01353	4.4
147.05031	6.7
157.03488	9.5
159.05003	10.2
161.02986	10.4
163.04616	12.3
168.99808	6.1
169.03477	18.4
171.01384	15.0
172.99342	11.0
173.02959	4.2
175.04514	5.1
177.02376	3.8
185.02982	9.0
187.00894	10.2
187.04518	24.3
189.02432	21.3
191.00438	6.3
195.01363	18.6
196.99219	4.7
197.03079	3.6
199.00847	7.4
199.04565	6.0
203.03934	5.1
205.01906	8.5
207.03520	4.0
213.02478	40.5
215.00386	7.6
217.01944	8.9
217.05450	4.5
227.03893	2.7
229.01930	6.3
231.03613	14.5
233.01610	2.9
239.00327	13.9
241.01894	10.0
243.03535	4.5
245.05020	7.9
247.03008	3.9
251.02425	3.5
255.03481	5.9
257.01495	7.7
257.05093	5.3
259.03119	3.8
266.99857	6.4
271.03070	5.9
271.25482	2.8
273.04489	5.8
275.02573	14.8
285.00995	4.0
299.02444	9.4
301.00467	16.3
301.03632	4.1
315.05609	8.2
317.03470	9.1
319.04913	5.2
328.99506	4.3
333.03024	7.5
333.06711	8.5
343.01328	3.7
359.04636	5.9
361.02567	100.0
365.10416	10.0
377.05609	3.1
381.07910	3.4
385.02402	3.1
391.03445	8.1
403.03540	5.4
421.04547	10.0
439.08423	35.7
439.14294	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	438.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.2
55.79673	1.0
57.03424	1.0
57.07079	96.8
59.05003	18.9
66.62462	1.0
69.07063	2.5
71.08634	100.0
73.02922	40.6
83.08611	2.8
85.10187	84.0
85.55527	1.0
87.04460	2.1
89.06036	46.5
97.10156	2.6
99.11735	11.1
101.09659	1.3
102.16918	1.0
103.07557	3.8
103.99488	1.0
107.07039	1.6
113.13305	1.5
117.05510	1.4
117.09125	2.0
127.14819	2.1
133.07654	1.5
133.08615	21.4
141.16389	12.0
147.73593	1.0
151.09694	1.6
153.68365	1.1
174.53423	1.1
177.11209	10.7
185.19051	1.5
191.12801	1.1
195.12305	11.0
199.20554	13.9
205.10751	5.8
223.11772	4.3
229.21672	1.6
235.15544	1.9
239.14899	23.3
243.23210	4.1
257.24673	1.2
267.14191	1.1
393.32071	9.2
421.35449	13.2
438.30249	3.2
438.35248	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	438.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19629	0.5
55.01845	0.9
55.05467	4.6
55.29393	0.5
56.04982	0.6
57.03390	1.1
59.17878	0.5
62.15803	0.5
62.68505	0.6
66.78488	0.5
67.05500	3.8
67.68041	0.6
69.03394	0.8
69.07031	0.9
70.06595	3.2
70.14428	0.7
71.04935	0.6
71.56219	0.8
72.08128	1.1
79.05498	3.8
81.03375	0.6
81.07061	3.0
83.08560	2.0
84.04451	1.0
84.08108	0.7
85.02869	1.3
86.09668	1.6
91.05474	3.8
93.06992	1.0
95.08546	1.3
97.02859	0.9
97.10181	3.3
98.97520	1.8
103.05434	0.9
107.04873	1.5
107.05552	0.6
107.08538	1.6
109.10136	1.2
110.05952	0.6
115.05382	1.0
117.06962	1.1
119.04870	1.5
120.08051	0.8
121.06477	0.7
121.10087	0.6
123.04343	2.2
124.03933	0.9
125.05836	0.6
125.09560	2.1
127.03932	0.7
129.06984	0.8
130.04970	0.9
131.04875	2.0
131.08560	0.6
133.06511	0.7
135.04358	0.8
136.07504	0.6
137.05971	7.0
140.05202	1.3
143.04851	0.6
145.06470	1.3
146.05951	1.5
147.04335	1.6
148.05101	0.9
149.05978	3.9
151.07535	1.0
155.08408	0.7
157.06458	1.4
160.07500	1.0
161.05962	6.0
162.05513	4.9
163.06335	6.9
163.07556	1.3
164.07085	17.3
169.06534	0.7
171.07999	1.0
173.05989	6.7
175.06148	0.7
175.07498	2.2
176.07065	3.9
177.07848	27.7
178.08566	2.0
181.06429	0.8
183.08067	0.9
187.07495	1.1
188.06990	1.0
189.11234	0.6
190.08675	3.1
199.07504	2.1
201.08990	1.2
202.08624	0.8
204.10225	0.8
206.02135	0.8
213.08902	0.8
216.10207	1.1
230.05063	2.0
246.11227	2.2
257.09589	0.8
258.15015	0.6
259.08984	5.3
261.10553	1.2
266.63184	0.6
274.18027	12.7
276.11972	0.8
283.16830	0.6
287.08633	0.9
293.15500	0.7
295.05933	1.3
298.32919	0.7
302.05341	0.8
302.14212	1.1
302.17523	18.1
307.06082	1.2
320.18582	23.1
325.06982	1.7
328.19028	2.5
329.17560	1.0
337.06906	0.8
346.20337	3.1
347.09424	3.2
366.81134	0.7
376.13293	16.3
376.21191	2.4
391.08307	1.3
394.22260	100.0
395.22595	2.7
402.22424	0.8
420.15735	4.3
420.23825	18.8
421.09201	1.2
438.17197	6.9
438.24890	65.1
439.10593	2.9
439.25391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.96563	0.6
65.03939	0.7
66.81371	0.2
67.05506	0.8
69.07072	0.4
69.15975	0.3
69.89427	0.8
70.06588	0.3
70.79436	0.3
71.80525	0.3
77.92897	0.3
79.05495	0.5
81.03410	0.3
81.07055	1.3
83.08620	0.4
85.02913	0.6
90.39212	0.3
91.05482	17.5
93.07056	0.5
95.08601	0.8
97.02874	0.3
98.97550	0.7
101.76438	0.3
107.08613	0.5
109.02858	0.4
109.06515	1.4
109.10149	0.4
113.41283	0.3
117.07031	0.2
119.04942	11.0
119.72338	0.2
121.78169	0.3
123.92425	0.2
125.05996	2.0
137.05981	38.2
145.10074	0.3
146.05981	0.3
151.03920	1.6
152.07068	44.5
153.01830	0.3
159.11707	0.4
164.06992	1.4
204.27086	0.2
214.06262	0.8
222.65103	0.3
241.08521	0.4
257.08005	0.5
285.10245	0.3
288.12305	100.0
289.12674	1.3
297.63474	0.3
300.20169	0.3
381.59204	0.3
438.15500	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	438.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01868	1.8
55.05505	1.6
56.96564	0.8
57.03428	1.3
57.07076	0.7
59.05000	2.2
61.02922	1.5
64.64223	0.6
67.05484	1.1
68.75188	0.6
68.99792	0.7
69.03429	6.3
69.07070	8.6
69.54417	1.6
69.54828	2.0
71.04986	1.4
71.08636	47.0
73.02919	2.2
79.05509	1.1
81.03424	7.8
81.07057	1.6
84.04494	0.7
85.02910	17.7
85.06591	0.7
86.09730	0.6
87.00826	10.3
87.10306	0.5
91.03935	0.9
91.05465	1.4
93.07039	1.3
95.08595	0.9
97.02895	10.9
98.97586	2.4
99.04469	3.0
99.08097	100.0
105.01873	8.1
105.07037	0.9
107.08614	1.2
109.02878	6.4
109.10149	1.0
110.07156	1.3
117.01875	0.9
119.08556	0.6
121.10166	0.8
127.03931	10.7
129.01845	0.7
129.12758	19.6
131.00233	0.7
133.10101	0.7
137.06018	1.1
145.04950	4.4
155.08659	0.6
155.14282	3.9
158.99663	1.3
159.02910	2.6
162.34766	0.6
164.07097	0.7
171.11786	0.8
172.41743	0.6
173.15379	75.2
177.00673	0.6
177.16557	0.6
207.17500	0.6
221.92393	0.6
231.05038	1.9
423.44476	0.7
438.25281	1.3
439.22333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.3
56.87164	1.0
57.03437	2.0
57.07080	100.0
59.05006	31.4
62.05830	1.0
64.80788	1.1
69.07060	1.9
69.59930	8.1
71.08635	81.0
73.02499	1.7
73.02921	29.0
79.76113	0.9
83.08606	1.9
85.10187	68.9
87.04453	2.4
97.10168	2.3
98.20803	1.3
99.11734	12.8
101.09644	2.0
101.68491	1.2
107.08624	1.7
113.13293	4.6
117.09132	12.4
141.16267	1.0
155.17966	10.0
163.51938	1.0
189.11234	2.7
213.22148	15.0
253.39322	1.2
254.24794	2.1
271.26318	13.9
272.00888	1.1
391.34146	3.0
419.33609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1997
Annotation	Ambiguine E isonitrile
Peak:m/z	Relative Intensity
70.06588	0.6
71.24876	0.4
72.08155	0.3
75.38068	0.2
84.08141	0.6
86.06073	0.3
86.09710	0.3
91.05508	0.3
97.71415	0.2
98.97584	0.4
119.04954	0.3
127.03903	0.2
128.10481	0.2
129.10254	0.4
137.05965	0.3
163.58076	0.2
201.09146	0.4
274.31815	0.2
275.10196	0.3
275.14664	11.3
437.19946	100.0
438.20520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.05514	1.1
56.96565	0.4
57.03414	0.6
59.04989	1.1
61.02920	0.5
67.05505	1.1
69.03419	1.8
69.07061	1.5
69.42391	1.1
69.42804	1.6
70.06606	0.5
71.04998	11.6
73.06563	3.1
79.05487	2.8
81.03411	1.6
81.06580	0.8
81.07063	15.9
83.08643	0.8
85.02908	3.7
85.06579	0.4
87.00820	1.6
91.05498	2.0
93.06476	0.6
93.07056	11.6
95.04920	0.6
95.08617	2.5
97.02882	1.8
97.06541	1.9
98.97588	1.2
99.04456	0.6
105.01872	2.4
105.07043	1.4
107.08609	9.1
109.02882	1.3
109.10145	2.9
119.05000	0.6
119.08585	1.5
123.11705	0.6
124.44274	0.4
127.03945	2.4
127.11144	0.7
133.10143	1.3
135.11707	21.8
137.02405	0.5
137.06013	1.6
145.04993	1.2
145.10110	0.5
153.12755	100.0
154.12997	0.6
203.17914	1.1
221.18983	1.4
245.02188	0.4
284.06412	0.5
285.06784	0.9
286.06891	1.2
315.07620	0.6
316.07944	0.7
340.07965	0.5
373.13528	0.6
382.09335	0.5
418.10843	1.1
436.12222	1.0
436.17902	1.4
441.87595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58772	2.5
55.05521	2.8
57.03442	3.8
57.07080	100.0
59.05005	64.1
60.26154	2.4
65.09765	2.2
69.07059	4.6
70.03377	4.5
70.03718	11.7
71.08638	94.0
72.45148	2.5
73.02925	30.2
74.45947	2.5
75.70542	2.2
83.08611	4.0
85.10189	96.8
85.86819	2.5
87.04473	39.3
92.57861	2.3
95.99657	2.7
98.20787	4.7
99.11750	14.5
101.09697	5.4
117.09128	26.9
139.05388	2.3
141.16393	8.4
193.32230	2.7
199.20601	17.8
221.13789	3.2
251.94823	2.7
257.24719	19.1
271.26181	2.5
325.57990	2.8
391.34177	5.1
437.34454	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	435.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80980	0.4
55.05521	1.0
57.03439	4.3
57.07077	5.6
57.23729	0.4
67.05510	1.8
69.07089	1.5
69.90810	1.1
69.91206	0.7
71.08638	4.5
80.70660	0.5
81.07072	2.5
83.08642	1.0
85.10202	1.4
89.06036	0.8
95.08605	3.7
95.54896	0.4
97.10153	1.0
98.21503	0.8
109.10158	1.3
113.00030	78.5
114.08176	0.5
123.11697	0.7
139.01534	0.9
154.02635	0.9
169.02628	100.0
170.03017	0.5
199.34821	0.5
256.51819	0.5
267.26904	0.9
300.15820	0.5
332.47101	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	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77827	1.2
53.03931	5.2
55.01869	3.3
55.05503	5.7
55.76319	1.3
57.03445	3.1
57.07067	3.9
57.72344	1.2
61.02919	2.6
67.05514	9.3
69.03428	9.7
69.07058	7.9
69.31285	8.6
69.31699	2.8
71.04995	1.5
73.02911	2.5
79.05496	11.6
81.03417	11.1
81.07059	33.9
83.04984	2.2
85.02427	2.4
85.02904	27.9
85.06545	9.9
86.09717	2.2
87.00833	14.1
91.05478	23.1
93.07047	100.0
95.04978	4.0
95.08608	28.6
97.02896	15.6
97.06538	7.5
99.04440	2.6
105.01863	16.5
105.07020	8.7
107.08598	82.8
109.02880	11.4
109.06546	2.4
109.10146	12.7
119.06082	2.2
119.08568	3.7
120.09301	1.4
121.10129	1.4
121.65073	1.3
127.03912	18.8
129.01845	1.6
130.08658	1.9
133.10139	1.7
135.11694	81.6
136.12007	1.6
137.05928	1.5
137.13271	28.7
145.05000	8.7
153.12747	4.6
159.02888	4.0
165.12706	1.4
195.15775	1.1
231.04999	3.9
249.06020	1.9
253.31487	1.3
284.06375	3.1
286.06888	4.2
314.07202	1.4
316.07867	3.8
340.08337	1.5
370.08774	2.3
400.10199	3.5
418.11179	1.5
436.11670	3.0
436.23422	2.3
437.08902	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.129
Annotation	Lecontin
Peak:m/z	Relative Intensity
55.01866	1.4
63.73282	0.8
65.03925	1.0
66.30479	0.9
68.99790	3.0
69.03413	2.0
70.06587	3.5
71.30264	1.2
71.30607	1.0
72.08147	1.2
79.05505	0.9
81.03416	2.3
84.08147	1.1
85.02901	3.3
86.09700	1.3
91.05484	12.4
91.06007	1.2
95.04964	2.2
97.02887	1.3
99.04475	1.1
107.04960	15.0
119.04928	6.1
120.04459	2.3
121.02863	1.5
121.07430	0.8
123.04446	5.2
127.03969	4.3
130.06544	5.9
131.04904	1.4
135.04472	1.9
136.07579	1.7
137.02348	28.5
137.05978	17.5
139.03931	1.2
141.07047	2.5
143.71759	0.8
145.04993	1.2
145.06436	2.0
147.04399	2.7
147.08028	1.5
149.02354	8.4
149.06041	1.0
150.05562	4.7
151.03871	1.7
151.07483	1.0
153.07011	1.3
157.06467	1.4
163.03961	0.9
168.06555	1.1
169.06506	3.5
173.05971	1.7
178.08659	2.1
179.03401	3.6
181.06439	4.4
185.05942	1.2
187.07483	1.0
194.09587	1.1
197.05960	7.2
199.07553	37.4
200.07814	0.8
207.09158	3.3
208.09889	1.1
215.07034	100.0
221.10844	4.3
222.11504	1.9
223.12314	6.1
227.07045	19.5
243.06543	80.5
249.10068	2.1
251.13077	1.1
255.06551	34.0
255.09283	1.6
267.11249	6.3
273.07590	50.6
282.14877	3.4
285.12210	1.0
299.13925	8.6
313.84872	1.0
359.17334	4.6
391.20218	2.1
403.16272	2.7
435.19247	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	433.1497
Annotation	3,7-Dihydroxy-2,4-dimethoxyphenanthrene 3-O-glucoside
Peak:m/z	Relative Intensity
52.11052	0.5
53.03942	1.2
55.01871	1.1
57.03433	1.2
61.02936	2.4
69.03445	3.6
73.02924	0.9
78.72690	0.4
79.05527	0.9
81.03438	2.7
85.02911	15.3
91.03953	1.0
91.05495	0.6
95.04979	0.5
95.08595	0.9
97.02902	3.6
98.20692	1.0
99.04446	0.8
109.02872	1.8
119.04925	0.7
121.02891	3.0
121.06541	1.5
127.03927	3.0
135.04414	2.1
137.06006	3.8
145.02916	0.9
145.04938	3.0
148.05188	1.3
149.02260	0.7
151.03889	1.2
157.06519	0.9
161.06006	1.4
163.03928	10.2
165.01857	3.7
167.03413	0.6
168.05687	1.9
169.06453	0.9
172.08818	1.2
181.04982	0.6
181.06555	0.6
183.02895	1.0
183.08118	2.9
185.05991	1.3
187.03841	0.5
189.05647	0.7
197.05977	1.0
199.07571	1.1
200.08313	6.5
211.07547	6.7
212.08293	0.9
213.05476	1.1
215.10638	1.0
225.05504	0.9
227.06987	1.2
228.07806	7.1
239.07204	0.6
240.07883	1.3
243.10178	100.0
244.10406	1.2
255.06587	1.9
256.07077	2.2
267.06442	1.4
270.05405	1.1
270.08768	1.4
271.09641	92.6
272.10062	1.5
279.06448	0.7
281.08206	2.6
283.06036	31.2
283.09467	1.1
284.06760	4.5
295.06039	3.6
295.09656	2.1
297.07590	1.4
305.08136	0.6
308.06772	0.9
309.07556	5.9
313.07071	24.3
313.10403	1.2
321.07562	0.7
323.05835	0.8
323.09119	5.8
333.07443	1.4
337.07059	12.0
337.10831	0.7
344.12799	0.6
349.06976	2.7
351.08652	0.8
361.07001	2.2
367.08139	7.3
379.07990	5.6
397.09131	7.5
415.10114	6.4
433.11331	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	433.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01874	3.2
55.05505	7.6
65.03937	2.7
67.05527	13.1
69.03432	20.3
69.07072	16.9
69.41271	16.8
71.04995	11.4
77.69993	1.9
79.05490	14.6
81.03414	22.2
81.07059	39.5
83.04990	21.2
83.08611	5.7
85.02911	12.1
85.06541	3.4
91.05476	13.9
93.07051	44.7
95.04975	15.7
95.08605	35.6
97.02906	14.7
97.06533	29.7
99.04449	24.9
105.07029	31.6
107.04948	4.6
107.08603	20.3
108.35400	2.4
109.02888	22.3
109.06524	27.9
109.10150	6.6
111.08093	25.3
113.05988	3.7
113.67054	2.5
117.06928	2.0
119.08591	15.9
121.02861	5.6
121.06507	56.8
121.10149	5.0
123.04423	4.9
123.08111	4.7
123.11697	9.0
125.06005	22.1
127.03923	23.3
127.07598	9.8
129.06984	3.3
131.08546	5.1
133.10138	22.8
135.04410	3.4
135.08044	12.6
137.05980	5.0
139.07555	23.0
141.05482	2.2
142.07829	2.8
143.07053	23.2
143.08556	6.6
145.04997	2.4
145.06544	2.1
145.10080	3.2
147.08011	3.0
147.11696	42.1
149.13322	3.1
150.17194	1.9
151.11166	6.8
153.06683	2.2
155.08542	2.5
156.09344	4.1
157.08601	10.0
157.10114	14.6
159.06535	8.1
161.13322	11.3
165.01852	8.4
165.12796	18.1
169.12259	23.6
171.11707	10.1
173.09538	3.9
173.13380	2.8
175.11168	34.5
181.10167	4.9
187.06036	8.6
187.51060	2.1
189.12755	25.2
191.14323	2.6
193.12236	35.2
199.11183	23.2
205.07082	7.5
207.13817	13.7
211.13263	35.8
217.12248	81.7
229.14409	18.9
235.13304	100.0
253.14369	90.0
256.07281	5.6
267.06522	3.9
271.06100	4.0
271.15384	11.2
281.07895	2.3
283.06021	51.5
284.06720	8.2
289.16528	4.1
290.16934	2.2
295.05966	5.8
295.15457	2.3
309.07715	10.1
313.07056	33.7
317.11252	2.5
323.09213	9.3
337.07043	17.7
349.06955	3.4
352.56177	2.1
361.07162	2.7
361.16412	3.2
367.08124	13.4
379.08090	8.3
379.17517	8.0
397.09302	12.7
397.18365	11.9
415.10321	11.3
433.11572	10.6
433.16238	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1343
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03952	1.1
61.02895	0.3
68.06686	0.2
68.95941	0.2
69.03423	1.5
70.51047	0.2
70.79491	0.5
70.79842	0.3
71.05015	0.4
72.68746	0.2
73.02914	0.4
74.23509	0.2
81.03411	2.2
85.02905	5.7
97.02901	3.4
99.04455	3.6
103.03948	4.1
107.48766	0.2
109.02881	2.9
127.03923	100.0
128.04289	0.4
145.04970	3.6
145.79187	0.2
163.06026	0.4
169.04794	0.2
176.52495	0.2
187.06049	0.9
207.10535	0.3
215.07045	0.4
251.51505	0.2
271.05807	2.1
271.08008	0.4
283.05948	0.3
334.08041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03440	0.8
66.18445	1.0
67.05505	1.7
68.99839	0.8
69.07086	0.9
69.47622	2.5
69.48050	3.0
79.05508	1.8
81.03421	0.9
81.07056	1.8
85.02927	1.6
89.06046	0.9
91.05496	1.1
93.07076	1.2
95.05000	0.9
95.08667	0.8
98.20683	1.0
105.07102	1.7
109.02890	1.4
116.27648	0.8
119.04971	3.1
121.02880	6.7
121.03683	0.8
127.03958	1.0
145.02914	2.0
147.04395	1.1
149.02377	0.9
149.06017	1.1
163.03990	2.9
165.01822	8.9
165.05443	6.5
167.03487	2.4
175.07637	1.2
177.01955	1.2
177.05531	0.9
178.06339	1.1
183.02863	6.2
184.07373	2.0
185.06184	1.3
187.04041	1.5
188.59583	0.7
189.01866	0.9
195.02975	1.5
203.03345	0.9
205.05135	1.4
205.08655	1.0
211.02477	2.2
227.07294	0.9
229.05191	0.9
231.06575	0.9
239.07217	1.4
255.06546	1.6
256.07361	1.5
267.06448	4.7
269.08127	0.8
270.05338	2.3
271.06049	8.3
279.06607	1.5
281.08060	5.6
282.68555	0.8
283.05997	70.4
284.06769	8.9
288.06418	0.8
289.07257	2.2
295.06192	7.7
295.09448	1.6
297.07523	4.6
299.05649	2.8
301.07208	0.9
305.08142	1.5
307.06110	1.9
308.06888	1.8
309.04068	2.3
309.07474	11.7
309.10452	0.9
311.05655	3.0
313.07056	52.0
314.07904	1.8
317.06531	4.0
321.07816	1.9
323.09097	11.9
325.07019	1.2
327.05154	3.1
327.08698	0.9
329.06812	2.5
329.10425	1.1
331.08240	1.5
333.07684	1.9
337.07074	23.7
337.11014	1.2
339.05286	2.1
341.03003	1.3
341.06689	1.3
342.07449	1.5
343.08456	1.5
345.06119	7.9
349.07068	7.9
351.08685	1.7
354.07761	1.3
355.04776	0.9
357.06125	2.4
357.09940	2.8
359.07709	2.0
360.08563	3.1
361.06955	4.3
367.08124	15.4
369.06183	1.2
371.07736	0.9
373.05606	4.8
375.10944	2.8
379.08160	12.2
385.09137	8.7
387.06735	4.7
388.08029	3.8
397.09167	15.6
399.10757	0.9
403.10248	75.9
404.10986	1.9
415.10202	12.1
417.11710	4.2
418.12543	8.3
433.15222	100.0
434.15384	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Apigenin 4'-glucoside
Peak:m/z	Relative Intensity
55.01881	1.1
57.03415	0.9
57.57179	0.8
62.35320	0.8
68.99797	0.9
69.22705	8.3
81.03434	1.7
85.02911	2.2
91.05488	1.4
103.71873	1.2
109.02892	1.3
111.67677	0.9
116.08997	0.9
116.70011	0.8
119.04946	3.7
121.02895	8.5
122.06931	0.8
124.44920	0.9
131.88051	0.9
132.49146	0.9
141.01855	1.3
142.45172	0.9
145.02869	3.5
147.04391	1.3
149.02370	2.7
153.01823	4.5
163.03909	3.1
165.01849	14.1
167.03444	2.2
169.06540	1.0
177.01736	1.1
183.02913	3.3
187.03877	1.9
191.03403	1.4
195.02864	1.8
215.03406	1.5
215.07060	3.9
229.05074	1.3
233.32869	1.2
239.06981	1.2
243.02940	1.2
243.06531	2.3
247.05977	1.1
248.48224	1.1
253.04919	1.2
255.06415	1.7
256.07257	1.2
267.06415	7.4
270.05273	2.7
271.06046	70.6
272.06305	1.1
279.06415	1.1
281.08051	7.1
283.06039	100.0
284.06821	14.2
285.07507	1.2
295.06024	12.9
295.09692	2.8
297.07635	5.9
305.08182	1.9
307.06039	2.8
308.06769	2.1
309.04095	1.5
309.07571	20.1
312.02460	1.1
313.07089	72.6
314.07266	1.0
321.07660	2.8
323.09158	18.7
325.07318	1.3
333.07693	4.9
335.05472	1.2
337.07083	39.8
349.07062	9.6
351.08676	2.5
361.07059	9.6
367.08173	27.6
379.08200	18.4
397.09225	23.4
415.10312	21.3
433.11371	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	433.1125
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.34348	0.1
55.01875	0.2
58.06595	0.1
64.00356	0.1
68.99788	0.1
69.03439	0.2
70.06568	0.4
71.56870	0.2
72.08142	0.5
79.05485	0.2
81.03403	0.4
84.04493	0.2
84.08157	0.2
85.02895	0.4
86.09715	0.9
89.03935	0.2
91.05451	0.4
97.02860	0.2
99.04465	0.2
103.03922	0.2
104.05341	0.2
105.03371	0.7
107.04955	0.3
109.02882	0.3
115.05434	0.2
117.72543	0.1
121.02826	0.5
127.03916	3.5
130.06494	0.2
131.04977	0.3
133.02840	0.3
135.04424	0.4
137.02344	6.6
137.05974	0.6
141.06978	1.0
145.04959	0.2
145.06476	0.3
149.02341	0.3
151.07535	0.4
153.07001	0.2
155.04930	0.2
157.06470	0.2
159.08026	0.3
161.02354	1.0
164.07056	0.1
169.06496	1.4
173.05986	0.3
175.03899	0.3
176.07057	0.2
181.05034	0.2
181.06496	0.5
183.04396	0.4
187.07538	0.8
189.05434	0.2
197.05983	2.9
200.04671	0.2
201.05461	1.2
203.03505	0.2
207.02837	0.2
215.07025	6.2
217.13606	0.2
217.21950	0.2
219.09319	0.2
221.10796	0.3
225.05464	6.8
243.06458	0.9
247.08788	0.4
253.04941	3.6
271.06009	100.0
272.06351	1.6
283.05984	0.9
284.06775	0.4
293.47507	0.2
295.06207	0.2
309.07553	0.2
313.07239	0.8
313.10165	0.1
321.07596	0.2
337.06830	0.3
349.06955	0.3
357.15424	0.2
359.09119	0.2
367.07867	0.3
391.62817	0.2
397.09131	0.2
401.14883	0.3
415.10254	0.5
433.10852	1.1
433.17706	0.6
433.24954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Isovitexin
Peak:m/z	Relative Intensity
55.01895	0.9
56.24436	0.9
65.03934	0.9
69.60670	1.1
70.22885	2.4
79.01878	1.0
85.02925	1.7
93.27010	0.8
105.32151	0.9
119.04943	3.6
121.02894	8.3
127.40913	1.0
127.62048	0.9
145.02882	3.6
149.02377	2.4
160.52921	0.9
163.03937	3.8
165.01842	16.9
167.03421	2.3
177.01952	1.9
183.02908	3.6
187.03969	1.7
191.03377	1.6
205.04984	1.4
233.04280	1.2
243.02837	1.4
255.06543	1.6
256.07312	1.9
267.06506	6.7
270.05261	2.2
271.05994	5.7
279.06702	1.4
281.08096	7.7
283.06033	100.0
284.06781	13.3
293.08209	1.6
295.06015	12.4
295.09555	3.0
297.07639	3.9
305.08081	1.2
307.06192	1.6
308.06760	2.3
309.04114	1.8
309.07507	18.7
313.07083	72.2
321.07565	3.4
323.05499	1.7
323.09128	16.8
333.07516	3.2
337.07071	40.6
349.07129	11.9
351.08649	3.6
361.07080	8.7
367.08136	25.5
379.08148	21.2
397.09201	23.4
397.14026	1.7
415.10291	20.3
433.11325	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	432.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05010	7.4
61.02930	1.7
69.03430	3.6
70.06583	3.1
70.84531	2.1
71.04992	0.9
72.08170	1.5
73.02908	1.1
81.03416	3.3
83.20517	1.1
84.04549	1.1
84.08123	1.6
85.02915	9.4
86.09706	1.5
87.04478	1.7
89.06041	77.3
91.05508	1.1
97.02895	2.9
98.97615	1.3
99.04456	1.7
103.03957	1.1
103.07613	1.6
105.10893	1.0
106.02892	1.8
107.07082	3.5
109.02914	2.0
116.07147	0.8
116.88912	0.9
119.04951	1.2
124.03965	3.5
127.03930	20.8
133.08618	28.2
137.05962	1.5
145.05060	1.8
147.10185	1.8
150.97385	0.9
151.09682	4.8
164.07076	1.0
177.11293	7.8
195.12303	45.8
198.05524	2.8
210.43018	0.9
216.06810	1.3
221.10762	1.4
234.07657	2.2
247.08632	1.2
252.08707	1.1
253.16484	100.0
268.08319	1.5
271.06036	1.5
283.06143	1.3
313.07034	1.1
416.83847	1.0
433.17725	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18478	0.7
55.05503	2.0
56.05023	1.4
57.87548	0.6
57.98596	0.7
60.08169	7.1
61.60597	0.6
67.05511	4.2
69.81441	1.5
69.81857	2.5
71.07381	3.8
79.05493	3.4
81.07050	3.3
86.09711	34.6
91.05472	3.3
93.07051	3.6
95.04981	0.7
95.08615	2.6
98.98475	4.3
104.10760	4.7
105.07030	1.3
107.08588	1.1
109.10139	1.0
119.08611	0.8
121.10139	0.8
125.00009	22.3
131.04936	1.3
131.08545	0.9
137.05992	7.2
148.00838	0.7
149.06007	1.3
161.05974	1.1
162.05513	1.4
164.07059	3.9
165.01889	0.7
175.07568	0.7
176.07108	1.7
177.07858	7.3
184.07352	100.0
185.07736	1.3
190.08630	2.5
191.09387	1.7
202.08696	0.9
215.09451	0.8
245.81874	0.7
274.18054	6.2
283.05975	7.4
284.06805	1.1
302.17737	6.2
309.07556	1.2
313.07074	5.2
320.18661	5.1
322.34415	0.7
323.08997	0.8
337.07123	2.5
346.20209	2.4
349.07077	1.3
358.20175	3.3
359.21243	0.7
367.08102	2.1
376.21237	2.8
379.08505	0.8
390.16592	0.8
402.22720	2.2
415.10110	1.8
432.26593	3.4
432.75906	0.9
433.11084	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
69.03419	1.3
69.44508	4.4
69.44927	3.9
70.06583	2.0
71.04981	4.8
72.08121	1.3
79.05486	1.4
80.05018	1.5
84.08183	1.2
85.02885	2.2
91.05470	2.3
98.20592	1.0
98.97585	2.1
117.05582	1.2
124.03967	2.0
130.06558	6.2
163.07492	1.2
165.07039	1.5
166.06546	1.6
167.07240	1.3
167.08493	1.8
168.08092	5.0
177.00865	1.3
180.08061	4.2
181.07521	1.2
181.08914	2.1
182.56047	1.1
192.08112	3.0
193.07561	4.3
194.09743	10.6
195.09219	3.2
204.08092	7.3
205.07443	1.6
206.08231	7.8
207.09189	37.6
208.09929	18.5
210.09244	1.1
219.01825	1.2
219.09137	2.9
220.09863	5.2
221.10741	71.4
222.11473	5.2
223.12305	79.0
237.02730	1.2
239.11797	53.2
249.10217	6.7
252.08937	5.0
253.09518	1.9
254.10469	1.6
267.11285	70.0
299.13968	3.7
309.12265	3.5
337.83734	1.2
353.14993	22.2
363.09720	1.7
371.10172	1.7
381.14316	4.1
399.15515	100.0
400.15659	2.7
431.18396	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	431.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
56.94322	3.2
56.96557	1.6
57.03443	1.5
63.67320	1.3
69.03431	2.4
70.06593	4.2
70.95841	2.2
71.55801	2.0
72.93806	6.5
81.03434	2.6
81.70492	1.1
84.08150	2.0
85.02893	4.6
86.09718	1.5
90.94821	3.5
91.05466	7.2
96.45351	1.4
97.02909	3.8
98.97577	2.4
98.98497	1.2
119.04942	4.3
123.04455	3.4
128.96384	2.0
132.95856	7.3
137.05992	21.2
140.96402	1.3
144.95854	4.5
158.97418	19.0
162.96834	2.4
170.97438	1.5
171.96692	1.3
176.98497	4.5
186.96925	5.1
188.98404	1.7
190.97791	2.0
194.97377	2.2
198.96967	3.2
208.10306	1.3
208.98962	24.4
216.97906	9.4
221.10707	2.7
223.12344	2.9
227.00017	23.0
234.98975	28.3
237.02754	2.0
251.00133	5.0
252.99985	1.7
259.97836	2.8
263.00079	3.9
267.99951	1.5
269.01086	4.0
281.01141	2.9
286.99979	5.8
305.01074	8.6
307.78107	1.5
353.03207	4.2
371.04260	100.0
372.04697	1.5
399.15433	5.2
412.06863	2.1
431.15396	10.2
431.20450	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	430.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.8
55.23664	4.6
56.96548	6.2
57.03437	11.2
60.93022	4.8
61.02926	24.5
65.38843	5.1
67.05518	25.3
67.15717	6.0
69.03446	9.9
69.07074	8.9
71.04995	5.4
71.56695	6.9
73.02909	12.7
78.13383	5.6
79.05486	23.0
81.03407	7.7
81.07036	16.9
83.08617	8.7
85.02895	38.0
86.03191	5.4
88.63220	5.2
91.03951	14.4
91.05484	21.0
93.07041	24.0
95.04965	8.5
95.08608	12.3
95.47276	4.8
96.43173	5.1
97.02892	20.7
97.06522	5.7
99.04441	7.1
105.07001	17.1
107.08605	14.2
109.02948	6.1
109.10204	5.1
117.07027	10.6
119.08571	20.2
121.10140	15.2
127.03923	7.8
131.08563	11.0
133.10167	10.9
135.11688	9.9
137.05988	11.6
138.06293	6.3
141.06906	5.2
145.10123	9.9
147.11676	6.6
159.11780	11.4
164.07079	14.7
175.14854	5.6
185.13161	5.5
198.72778	4.8
203.14218	7.1
241.10551	8.7
242.10680	6.8
257.18866	7.7
275.20322	11.8
311.18484	6.8
312.18771	12.7
330.46091	5.6
349.23764	25.0
384.28091	34.5
412.28412	23.1
430.29114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
56.96551	0.8
57.03439	0.9
61.02937	0.5
63.72758	0.4
69.03430	0.8
70.06615	0.8
71.01335	0.4
71.08636	17.6
71.55212	0.7
73.02919	1.1
84.04501	0.6
84.08141	0.8
85.02903	1.3
87.04501	0.7
88.11273	100.0
89.11624	0.7
97.02915	0.7
98.97598	2.0
101.02406	0.8
104.07150	0.4
105.07150	0.3
111.00797	0.6
115.03929	1.3
116.98640	0.5
118.06546	1.7
121.06503	4.2
122.06882	1.0
127.03932	0.7
128.98624	0.4
129.01857	2.0
130.06549	1.6
132.08113	0.5
136.06184	2.4
137.05984	0.7
138.09146	1.1
143.03433	0.9
150.09209	0.7
157.01331	1.4
158.99669	0.9
161.01524	0.4
161.04494	0.8
162.05566	0.4
163.12830	0.4
166.08664	0.8
171.02971	0.4
177.00758	0.4
178.08656	1.2
178.30067	0.4
189.03954	4.4
194.09717	0.3
205.42450	0.3
216.18231	0.4
219.01840	0.6
221.10831	0.5
222.11125	0.5
223.12320	1.1
224.12663	1.0
237.02962	0.7
250.10689	0.4
257.53378	0.3
268.11295	0.4
268.13873	0.9
309.08664	0.8
310.09122	0.6
316.29572	0.4
359.06097	0.6
377.07190	0.7
395.08319	0.5
430.11115	2.2
430.17764	1.9
440.69092	0.4
450.92212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.01876	9.9
55.05499	2.1
56.96579	2.3
57.03431	5.4
61.02927	5.1
67.05508	2.9
68.99800	3.4
69.03434	48.4
69.07066	2.8
69.59457	9.4
70.06597	2.3
70.23041	1.8
71.04995	3.8
73.02918	7.8
79.05494	3.4
80.34065	1.5
81.02972	2.7
81.03419	26.7
81.07071	5.1
83.01363	1.8
84.47882	1.5
85.02911	98.1
87.00829	29.2
87.04453	2.0
91.03962	1.7
91.05480	10.8
93.07079	3.7
95.04956	1.8
95.08591	2.8
97.02899	40.0
98.97585	3.3
99.04465	18.1
105.01881	28.9
105.07041	5.5
107.08603	2.7
108.04504	7.4
109.02890	27.8
109.06577	1.8
113.90580	1.6
117.01843	4.0
119.04938	3.5
119.08586	2.4
121.06526	2.7
123.00820	1.7
126.05501	3.6
127.03922	100.0
129.01849	4.1
133.10123	2.7
137.05972	21.3
145.04964	52.7
145.10211	2.0
147.02853	2.7
147.11678	2.3
151.07523	2.2
159.02888	21.5
159.11644	1.9
161.06071	1.5
162.12784	4.9
163.11226	2.1
165.09172	4.0
175.07600	2.3
183.02896	1.6
187.11169	2.2
189.09164	4.8
191.06970	2.8
207.10118	1.9
213.03918	3.9
215.10709	2.4
225.06535	1.8
230.06560	2.9
231.05006	19.6
233.11751	10.0
242.11633	1.7
248.07613	3.5
249.06071	6.9
255.06499	2.6
260.12891	1.7
298.17990	8.3
314.21103	10.6
328.24826	1.5
360.21738	1.7
412.17456	3.4
430.16138	6.2
430.21826	2.4
430.29623	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3731
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05519	2.5
57.07082	15.1
67.05483	3.4
69.07067	3.2
71.08649	8.2
72.23318	1.1
79.05533	1.5
81.07051	6.2
83.08617	2.4
85.10168	5.8
89.31903	1.2
91.05495	1.7
93.07037	2.0
95.08592	5.0
97.10171	2.8
107.08581	4.8
109.10153	5.0
111.11714	1.4
119.08552	3.4
121.06537	1.6
121.10127	3.0
123.11690	1.2
131.08611	1.2
135.08047	4.3
135.11707	2.2
137.09639	7.7
139.07547	2.5
145.10199	1.4
149.09621	14.4
156.88106	1.4
159.11719	3.5
163.11195	20.3
164.08308	1.9
165.09126	100.0
173.09602	2.9
173.13249	2.4
175.11194	3.8
176.08513	1.4
177.09125	9.9
187.11133	1.9
191.10684	8.9
193.47774	1.1
201.12759	2.2
202.57307	1.3
203.10646	1.9
205.12256	9.2
219.13823	5.6
233.15343	3.1
289.21622	1.5
320.48315	1.2
343.93204	1.5
401.34024	2.8
403.80734	1.2
411.36258	1.4
429.31866	9.0
429.37250	58.2
430.37866	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3732
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05508	1.9
57.07077	15.8
65.17706	1.1
67.05508	5.8
69.07058	4.4
69.90848	1.1
70.92918	1.2
71.08631	11.3
71.19374	2.8
79.05489	2.0
81.07058	8.2
83.04983	1.2
83.08616	4.9
85.10170	6.3
91.05477	1.9
93.07052	2.6
95.08614	6.6
97.10138	1.8
105.07021	3.8
107.08589	4.8
109.06525	1.2
109.10170	7.7
111.04440	1.3
119.08583	3.3
121.06499	1.1
121.10143	3.8
123.11651	1.4
124.87928	1.0
131.08569	3.0
132.37419	1.1
133.10152	1.5
135.08054	5.9
135.11716	2.5
137.09619	9.9
139.07532	3.5
145.10120	2.3
149.09633	14.7
151.07562	2.3
159.08005	1.4
159.11720	2.4
161.09656	1.3
163.07559	1.5
163.11188	22.0
165.09122	100.0
173.09650	2.9
173.13222	2.1
175.11220	5.8
176.08237	2.1
177.09154	12.4
177.12837	1.8
187.11201	3.6
190.09988	1.9
191.10660	11.8
201.12727	3.7
203.10698	2.1
204.11359	1.5
205.12202	11.2
205.15819	1.3
215.14334	2.0
219.13847	5.4
233.15338	3.0
247.17039	1.5
275.20227	1.2
289.21652	1.7
296.62518	1.1
299.46997	1.0
303.23096	2.0
373.31201	1.7
401.34006	2.8
411.36066	1.9
429.31863	9.4
429.37247	56.3
429.43250	2.7
430.37741	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.05508	2.0
57.03440	5.3
57.07074	1.1
67.05511	8.1
69.07079	2.2
70.60744	1.3
72.63230	0.4
79.05502	7.8
81.03440	0.5
81.07058	10.5
81.07522	0.8
83.08649	0.9
85.06542	0.7
91.05499	4.2
93.07049	10.8
95.05010	0.7
95.08604	7.5
97.06528	0.7
97.10194	0.8
98.98496	0.5
105.07042	4.0
107.08600	8.4
109.10156	4.0
113.00021	100.0
117.07014	1.9
119.08586	2.0
121.10136	6.9
123.07957	0.6
123.11717	1.7
131.08603	3.8
133.10146	2.5
135.11688	5.7
137.13269	0.7
139.01585	0.6
145.10129	3.3
147.11700	1.9
149.13274	4.3
151.14821	0.8
154.02661	1.2
155.00995	0.7
159.11707	2.2
161.13245	2.1
163.14844	3.5
169.02618	93.8
172.95215	0.5
173.13264	2.9
175.14809	0.7
177.09097	0.5
177.12671	0.5
177.16396	1.0
184.07327	1.0
186.98679	0.5
187.14857	1.3
233.22575	1.4
243.21071	9.2
261.22162	21.9
314.55222	0.5
331.15884	0.5
371.27716	0.9
429.23520	1.5
429.27878	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	429.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20909	0.2
63.01564	0.2
69.20616	2.3
78.56561	0.2
79.85257	0.2
86.24143	0.2
95.08632	0.3
98.96596	0.2
127.91355	0.2
139.04243	0.8
158.12085	0.3
173.09995	0.2
175.07271	0.2
191.72600	0.2
315.61414	0.2
317.28348	0.2
411.99908	0.2
429.31903	100.0
430.32291	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	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05512	4.1
57.06828	1.1
57.07080	16.4
67.05501	5.3
69.03423	0.9
69.07066	5.5
70.75169	1.9
71.08636	11.7
79.05463	1.7
81.07053	8.7
83.08610	2.4
85.10181	5.6
91.05475	2.3
93.07015	2.5
95.08630	7.1
97.10165	2.4
98.20798	0.7
105.07034	2.8
107.08601	6.7
109.10151	6.3
111.04445	1.0
111.11705	1.5
119.08592	3.7
121.10133	3.6
123.08055	1.1
123.11706	2.1
125.05983	0.9
130.07780	1.1
131.08571	2.3
133.10103	1.6
135.08061	5.1
135.11696	2.1
136.56451	0.7
137.06042	1.4
137.09628	10.0
137.13219	1.3
139.07552	2.2
145.10158	2.2
149.09625	15.8
149.13239	0.9
151.07596	1.8
151.14757	1.2
151.36543	0.7
159.08063	1.3
159.11690	4.1
160.08922	1.0
161.05995	0.9
161.09578	1.0
163.07491	1.2
163.11194	22.9
165.09119	100.0
172.08868	1.1
173.09613	2.6
173.13264	2.8
174.10394	0.9
174.26617	0.8
175.07622	0.9
175.11241	5.6
176.08304	1.8
177.09125	13.5
177.12758	2.3
179.10687	1.7
179.17917	0.7
186.10413	1.5
187.11179	2.6
187.14740	1.0
189.09055	1.1
189.12729	2.1
190.09901	1.4
191.10690	11.0
193.12109	0.9
201.12758	2.7
203.10622	1.7
203.14355	1.0
204.11443	1.1
205.12253	11.7
215.14357	2.0
219.13794	6.5
233.15421	2.7
247.16968	2.6
261.18353	1.1
275.20047	2.1
289.21701	1.4
303.23172	1.8
317.24454	1.0
360.41653	0.9
373.31085	1.1
401.34018	2.6
411.36319	3.3
429.32083	3.7
429.37280	58.5
430.37555	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03951	4.4
55.01875	5.1
55.05502	1.5
57.03434	4.1
58.06610	0.8
61.02931	2.7
65.03922	0.7
67.05489	1.6
68.99783	1.8
69.03434	21.0
69.07067	1.3
70.06584	2.1
71.01345	1.0
71.05009	2.7
71.56962	0.6
73.02917	4.9
79.05515	3.0
81.03423	20.2
81.07063	6.3
83.04980	2.4
84.08151	1.0
85.02908	38.9
86.09699	0.9
86.79299	0.5
87.00834	15.5
87.04453	0.5
91.03960	1.3
91.05477	4.9
93.07046	8.3
95.04360	0.9
95.04975	17.9
95.08641	1.1
97.02895	14.2
97.06525	1.5
98.97571	0.6
99.04456	9.0
103.03953	1.2
103.05476	0.5
105.01871	11.7
105.07035	7.5
107.04964	1.3
107.08604	9.4
109.02884	20.3
109.06517	3.1
111.04425	0.5
115.03966	0.7
117.01871	2.8
117.07011	3.5
118.01182	0.4
119.08578	4.5
121.02824	0.7
121.06498	3.9
121.10156	9.9
123.04385	0.8
123.08082	0.8
125.06002	1.4
127.03922	36.6
128.06195	0.5
129.01828	2.9
130.07768	2.6
131.08597	0.6
133.06499	1.3
133.10118	0.9
133.93462	0.5
135.04314	0.5
135.08081	0.7
135.11716	5.5
137.05975	1.7
143.08554	1.5
145.03027	0.5
145.04965	14.8
145.06145	0.7
145.10130	14.1
147.02910	2.0
147.04381	0.4
147.08051	2.3
147.11627	0.8
149.05997	1.7
149.09677	0.8
150.06808	0.8
159.02890	13.4
159.11725	0.5
161.05991	0.6
161.09613	1.6
162.06750	0.5
163.11186	100.0
164.07062	0.6
164.11542	1.1
165.09108	1.6
165.12767	1.8
167.07082	3.4
175.07462	0.5
175.11171	2.0
177.04042	0.6
177.05501	1.5
177.09117	0.6
177.12700	0.5
181.04913	2.7
181.12241	5.0
183.10239	0.8
187.11195	0.8
189.03986	2.4
189.12715	0.5
191.07043	0.8
193.12242	1.6
203.10806	0.4
205.08713	0.5
205.12221	4.0
213.03922	1.1
221.76021	0.5
223.13300	8.7
231.04988	8.9
233.08144	1.1
240.37152	0.4
247.13396	0.6
249.06093	0.6
251.09178	0.5
271.13309	1.4
289.14401	1.2
297.06476	0.6
315.10779	0.6
323.09305	0.4
341.10446	0.7
355.10291	0.5
367.07599	0.4
373.50153	0.4
393.15616	2.3
411.10931	0.5
411.16415	1.4
429.09811	3.3
429.16992	1.3
429.21490	1.3
429.26291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14400	10.8
50.89292	14.6
55.05537	13.2
59.60361	13.8
62.16914	10.6
67.05524	19.0
69.07051	17.3
81.07065	31.7
86.09745	15.2
91.05494	34.2
95.08628	17.4
95.12070	12.1
104.86877	13.0
105.07036	23.8
107.08620	18.0
109.10167	14.3
112.07623	69.0
133.10112	20.5
134.05753	16.6
137.05974	43.6
150.05295	28.7
178.00671	12.6
229.71490	20.7
229.73541	17.3
279.83618	12.2
291.19470	32.8
333.96826	17.3
365.23242	26.9
372.10214	13.2
428.23434	100.0
430.63507	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	428.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.1
56.96560	0.6
57.07040	0.6
63.96119	0.4
65.03893	0.5
67.05476	1.9
69.07047	1.3
69.50981	2.4
69.51392	1.2
79.05506	2.7
80.58422	0.5
81.03408	1.4
81.07027	2.1
81.38706	0.4
83.08590	1.0
85.02890	0.8
89.06082	0.5
91.05489	5.4
93.07039	2.8
95.08591	1.5
97.06506	1.0
98.21477	1.0
98.97553	0.7
105.07037	2.4
109.10133	0.9
117.06996	0.7
119.04926	1.5
119.08558	2.1
121.10129	0.9
123.04417	0.7
123.08055	0.7
133.10141	9.5
135.11659	0.9
137.05972	6.0
145.06476	0.7
147.04344	0.5
149.05963	0.8
149.13205	1.5
151.07413	0.7
161.13252	2.7
162.05536	1.1
163.06268	1.0
164.07054	7.3
174.12717	1.1
176.07043	0.6
177.07875	1.2
178.08638	1.1
184.07428	0.7
188.07097	0.5
190.08615	0.6
202.08626	1.4
205.19469	0.8
211.13274	1.0
211.34550	0.5
214.08580	2.3
216.10258	0.9
227.09439	0.6
228.10178	0.9
235.64619	0.6
240.10188	53.2
241.10551	1.1
242.11771	1.8
244.13324	0.8
246.14857	0.6
254.11755	2.0
256.13367	0.8
258.14844	0.6
266.11813	3.6
268.13300	3.1
269.14038	0.7
270.14908	0.7
273.10690	0.5
282.14828	2.3
296.16504	7.0
308.16553	1.1
310.18008	52.9
311.18573	1.0
312.19525	6.1
324.19495	1.6
326.21356	0.8
326.40442	0.5
330.20627	0.9
338.21234	0.6
340.22696	10.3
353.23398	0.9
382.27399	81.9
383.27744	1.4
383.49445	0.6
428.27960	100.0
429.28375	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73336	1.9
53.03936	6.2
53.50797	2.3
55.01862	9.7
55.05504	3.7
56.96539	2.6
57.03438	13.7
57.07081	14.3
58.06588	9.2
61.02920	6.2
67.05499	5.7
68.99776	3.4
69.03081	3.2
69.03435	38.9
69.65275	8.2
69.65675	3.7
70.06586	5.8
71.04991	9.4
72.08152	2.7
73.02905	6.3
75.72881	2.0
81.03417	32.7
84.04500	3.5
84.08155	3.9
85.02905	100.0
85.06538	13.2
86.03146	2.3
86.09705	3.0
87.00834	38.3
91.05478	2.6
95.04956	7.6
97.02891	32.7
98.20746	3.1
98.97588	8.3
99.04471	17.9
101.06001	2.4
103.07583	90.7
105.01861	45.3
106.02905	3.1
109.02888	36.2
113.06022	6.8
117.01888	3.2
120.08130	3.1
121.06499	1.8
124.03950	12.9
127.03924	78.5
127.07568	17.5
129.01820	2.0
131.07050	3.3
137.06003	4.0
145.04961	27.9
145.08583	6.8
159.02910	14.2
163.09657	45.6
164.06996	3.3
173.08047	10.6
177.05473	4.3
213.04042	2.8
214.85078	2.7
229.10616	4.1
231.05008	23.6
246.04427	2.6
249.06172	2.9
253.10759	4.7
268.08121	4.4
271.11996	2.5
284.86057	2.2
295.05771	5.1
296.06387	2.7
308.06171	4.2
326.07480	4.5
331.13950	4.8
338.07367	4.4
350.07404	3.4
352.09186	2.4
357.11765	7.2
360.09625	5.7
364.08972	3.0
375.12851	8.7
378.67511	2.3
380.08591	4.6
392.08545	4.7
393.13831	6.2
410.09195	5.6
428.10278	12.0
428.16092	6.6
428.20618	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	428.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15655	0.6
56.05043	4.5
57.07056	1.0
67.05522	3.0
69.03436	1.1
70.24658	1.1
70.88924	0.6
79.05513	0.5
84.08146	100.0
85.02905	1.8
85.06555	1.6
86.09711	1.0
88.62660	0.6
88.90609	0.6
91.05471	1.0
93.05782	1.6
94.06574	1.7
98.20842	1.2
106.06545	4.6
108.08117	1.3
117.65636	0.7
118.06549	0.8
120.08140	1.2
121.06538	1.0
127.03971	0.8
130.05037	1.0
130.06535	18.9
130.08646	29.0
136.07619	1.6
137.06017	0.7
144.08096	1.1
145.06630	0.7
148.11214	0.8
150.05528	0.7
154.06635	0.8
156.08130	2.1
160.11201	1.6
162.12805	0.8
162.70609	0.7
163.07581	1.3
167.07324	0.8
168.08113	0.8
171.25038	0.7
174.12930	0.7
179.08626	0.7
180.08147	1.7
180.10236	1.6
181.08917	1.0
192.08057	1.0
193.07448	0.8
194.09673	4.3
195.09166	1.2
196.11298	1.7
197.10756	0.8
204.08090	1.7
206.09808	5.4
207.09161	7.4
208.09944	2.1
220.09981	1.0
221.10732	16.2
222.11481	8.2
223.12311	22.6
223.14343	1.2
224.12967	0.8
229.04814	1.4
235.12389	1.6
236.12987	0.8
239.11865	1.3
240.13774	0.7
249.10229	5.8
253.13348	1.7
254.10593	3.0
255.14946	2.2
267.11282	22.8
268.12030	1.2
281.12915	0.8
285.12314	2.0
289.17032	1.8
291.18369	1.5
299.13913	32.2
300.17188	1.1
305.16315	0.7
307.18045	27.2
318.89621	0.7
326.18765	0.9
327.07144	0.6
339.20706	1.5
351.17126	3.1
352.20187	31.9
355.69553	0.6
366.37015	0.6
384.22873	6.4
396.19186	11.8
428.16382	1.7
428.21841	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3033
Annotation	Leupeptin
Peak:m/z	Relative Intensity
71.08624	1.4
71.55513	1.8
109.10169	1.1
114.84334	0.9
127.04988	1.0
175.01439	1.0
290.60312	1.0
393.04428	1.2
427.30179	100.0
428.30667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01869	2.3
57.03429	1.3
61.02909	1.7
69.03435	13.0
71.04992	2.2
71.25025	1.3
73.02916	2.4
81.03429	11.0
84.04507	2.3
84.08137	1.4
85.02908	11.0
87.00819	3.3
91.05476	2.6
97.02906	6.5
98.97585	1.3
99.04457	3.9
103.03944	1.3
104.45663	0.8
105.01862	1.8
106.51392	0.8
108.04440	0.9
108.88864	0.8
109.02890	8.3
115.05489	3.6
117.07024	18.7
117.07832	1.0
126.05515	1.5
127.03922	9.7
135.04399	1.1
135.08054	1.5
136.03954	1.3
136.06198	2.3
137.05966	4.2
144.06570	1.2
145.05002	2.1
145.06496	27.2
147.02681	1.5
150.06783	1.4
159.02933	1.2
161.06036	1.2
163.07555	83.0
175.02097	1.3
178.08604	4.5
180.10208	83.2
181.10529	0.9
187.06032	1.8
193.03226	8.3
266.14334	1.9
342.15521	7.2
352.20163	1.3
384.16571	39.3
385.16788	1.1
410.13873	12.9
428.15540	100.0
428.20361	4.9
429.15930	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	426.2639
Annotation	Diprenorphine
Peak:m/z	Relative Intensity
50.22288	0.3
55.05516	0.5
63.03273	0.3
65.03940	1.6
67.05470	0.3
70.80505	0.7
79.05491	0.5
80.11694	0.3
81.07050	1.2
84.35108	0.3
91.05482	32.8
94.68307	0.4
95.08582	0.4
98.97599	0.4
105.23268	0.3
105.35244	0.3
106.06559	1.4
109.06528	1.6
109.10178	0.4
117.05751	0.4
118.06559	2.5
119.04943	15.4
121.10189	0.3
130.06509	0.4
130.90073	0.3
131.07327	1.3
132.08099	1.4
134.09639	0.5
137.05981	44.2
138.06299	0.3
146.09628	2.1
146.23433	0.4
149.02260	0.5
158.09686	0.4
160.11232	3.0
172.11224	0.3
174.12865	0.4
224.72302	0.3
237.07526	0.4
244.20573	3.6
272.20087	35.3
273.20563	0.9
290.21146	23.4
291.21698	0.4
327.02600	0.4
392.28589	0.3
426.26407	100.0
427.26682	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	426.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.05500	0.6
56.05014	0.7
56.96551	0.8
64.75623	0.5
67.05486	1.6
69.03426	0.7
69.07047	1.8
70.06590	1.1
71.04995	3.6
72.08154	0.6
73.02888	0.5
79.05488	1.0
81.07037	1.4
83.08604	0.6
84.08114	0.6
85.02874	0.7
87.04440	0.5
88.09504	0.4
91.05494	4.0
93.07042	0.7
95.08588	1.3
97.06543	3.6
98.06035	0.6
98.97566	0.7
105.06990	0.7
107.08530	0.9
109.10139	0.8
114.33499	0.4
117.06910	0.5
119.04916	1.5
119.08588	1.0
123.11710	0.5
126.09154	1.3
129.06970	0.5
131.08536	0.6
133.10045	0.6
136.34256	0.6
137.05975	9.8
147.04431	0.8
151.07516	0.7
168.00325	0.5
183.59377	0.5
189.09027	0.6
195.08047	0.5
205.10999	0.6
207.07951	0.8
211.07501	1.6
221.09656	1.1
222.10243	1.3
223.07571	1.2
225.08969	0.7
235.07536	2.5
237.09030	1.4
238.09926	0.8
239.06915	1.6
239.10704	1.2
240.07802	0.6
241.08597	1.2
249.09081	1.1
250.09969	3.5
251.06978	0.8
251.10558	1.2
251.12921	0.6
253.08481	1.0
253.12140	0.9
254.09372	0.8
255.10065	1.2
256.07248	1.0
265.08545	0.9
266.09308	1.1
267.10080	5.3
269.07996	2.0
270.08813	2.0
270.11914	0.5
271.09702	4.4
279.71786	0.6
280.10834	0.8
281.11749	8.7
282.12509	7.3
283.09561	1.7
284.10294	1.7
285.11121	1.5
286.11798	1.8
296.10117	0.9
298.11990	3.8
313.14413	3.1
340.15277	1.1
341.15845	0.5
356.18576	28.8
357.18900	0.9
382.23590	2.3
408.25107	1.2
426.22501	100.0
427.22897	1.6
443.09134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45368	0.8
55.01873	4.6
57.03419	1.0
67.87612	0.7
70.02956	3.7
70.81246	1.6
83.01350	0.9
85.02902	0.9
87.00809	2.1
91.05481	1.3
95.08574	1.0
98.38445	0.7
108.04474	1.0
108.86768	0.8
113.02393	4.9
119.04928	1.1
125.02325	0.9
131.03439	0.8
137.05992	0.9
142.03181	0.6
144.04384	0.8
147.04395	0.7
149.05925	1.3
154.05000	6.5
161.13327	0.7
165.07004	8.2
166.07701	0.8
172.06108	1.1
174.05511	2.1
176.07106	1.7
177.07034	0.8
179.08505	0.8
180.08080	0.8
184.07503	0.9
189.07024	3.0
191.08585	1.2
192.08130	1.5
192.10251	1.3
193.04800	1.2
193.06488	11.8
194.09636	0.9
203.08566	2.5
205.06549	1.3
205.08739	0.8
206.09686	4.9
207.08122	0.9
208.11209	1.1
209.05951	0.9
213.07881	7.5
214.08693	2.2
215.08563	2.4
217.06522	6.4
219.08081	1.2
220.07568	1.1
220.11226	2.5
221.06068	1.8
221.08289	0.9
222.06789	15.5
222.08951	1.7
223.07549	12.0
224.07210	2.3
226.08615	1.6
227.08649	1.0
231.08107	1.9
232.11159	0.9
233.08211	1.0
234.09143	3.8
235.07593	10.8
235.09772	1.7
235.49605	0.7
237.07892	1.6
238.08698	3.5
239.09467	5.1
240.10205	3.4
243.08171	2.1
247.07553	7.9
247.09912	1.1
248.07097	1.1
248.10741	2.8
249.07860	1.0
250.08636	52.4
251.09386	5.9
252.10249	9.8
259.07526	1.8
260.08289	0.8
260.10800	1.6
261.09036	2.6
262.08926	2.6
263.06808	0.7
263.09436	17.0
264.10208	73.3
265.10995	35.5
266.08884	0.7
266.11682	4.5
267.16995	0.9
271.07455	1.0
273.09195	1.2
274.08585	2.0
275.07010	1.1
275.09549	1.6
276.10251	8.1
277.10925	11.7
278.08218	8.5
278.11795	27.1
279.08948	4.4
279.11942	0.9
280.09772	3.0
283.07449	0.8
287.06918	1.0
288.10187	1.9
290.08658	0.9
290.11575	3.5
292.09650	5.9
292.12787	1.1
293.10477	1.5
294.11307	1.7
295.08456	1.0
296.12894	0.9
300.10153	1.1
301.08636	2.6
302.11691	0.8
303.08856	1.4
304.09720	2.7
306.08041	1.0
306.11163	3.9
308.09311	1.0
308.12820	1.1
316.09760	1.6
318.11224	5.8
320.09082	1.0
320.12714	1.7
321.10028	4.1
322.10620	1.3
330.11258	1.7
331.08862	0.8
334.10791	1.7
336.12451	4.0
346.10785	6.8
347.09058	3.5
348.12384	2.4
364.11804	72.4
365.10690	1.1
376.11877	7.5
377.10416	1.0
394.12891	100.0
395.13391	2.0
396.14294	1.7
426.15503	42.9
426.25620	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05512	8.6
57.07065	2.6
67.05505	16.7
69.07071	22.3
69.88277	7.8
79.05485	8.0
81.07062	42.3
83.08624	5.3
91.05478	5.3
93.07046	18.1
95.08613	71.2
97.10174	5.0
104.94643	1.6
105.07030	14.7
107.08597	38.1
109.10164	56.6
111.08092	2.7
111.11726	5.6
117.07026	1.5
119.08591	25.9
121.10149	31.6
123.11716	22.0
131.08559	5.1
133.10143	19.8
135.11705	26.1
137.13237	15.3
145.10106	6.3
147.11690	16.4
149.13257	13.3
149.22305	1.6
150.29507	1.8
157.10219	2.1
159.11720	7.3
161.13271	17.0
163.14810	14.7
173.13269	6.6
175.14783	9.1
177.16336	9.7
179.14285	4.5
187.14844	5.3
189.16385	14.4
191.17970	19.3
201.16412	7.3
203.17967	10.4
205.19562	14.9
207.17488	6.5
215.18002	9.3
217.19576	12.7
219.21181	2.6
223.08220	1.6
229.19585	5.7
231.21106	7.0
233.18988	3.3
243.21136	6.0
245.22610	18.0
247.20605	11.9
255.21109	2.9
257.22711	4.6
259.24243	3.8
261.22177	5.3
269.22617	5.0
271.24280	3.8
273.25745	2.2
285.25784	3.0
287.23669	3.3
297.25882	2.9
407.36728	26.1
425.37836	100.0
426.38339	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03937	3.2
55.05508	15.0
57.07070	7.8
59.04975	2.6
65.03949	1.9
67.05510	26.1
69.03432	2.8
69.07074	28.1
69.56080	6.9
69.56499	4.2
70.43872	1.6
72.08173	1.8
79.05482	13.3
81.03413	2.8
81.06578	3.7
81.07057	67.4
83.08616	14.5
85.02895	5.5
87.00840	2.3
91.05479	12.3
93.07047	29.2
95.08610	100.0
96.08053	1.7
97.02882	2.8
97.06528	4.1
97.10188	8.7
105.07029	23.7
107.04982	2.3
107.08594	56.9
108.08098	5.6
109.06535	3.7
109.10160	62.7
111.08078	2.4
111.11728	2.5
117.07018	3.8
119.08588	36.8
120.08094	4.1
121.10148	53.9
123.11724	40.8
125.09641	2.1
127.03938	2.8
131.08592	11.4
133.10135	30.7
135.11690	40.6
137.05995	4.7
137.09647	2.2
137.13251	33.9
139.11179	2.5
143.08568	3.7
143.69215	1.9
145.06477	2.1
145.10135	15.0
147.11705	23.0
149.09624	2.2
149.13263	33.8
151.11246	2.0
151.14777	4.4
157.10088	3.0
159.11693	10.9
161.13275	23.4
163.14807	14.4
164.07083	2.1
165.12802	2.9
167.08821	1.7
171.11732	3.1
173.13286	11.2
174.61717	1.6
175.14824	22.1
177.05502	2.1
177.16396	28.3
179.14365	3.2
179.17938	2.6
185.13242	2.1
187.14809	8.6
189.16411	15.7
191.17952	25.5
199.14827	3.7
201.16389	11.2
203.17947	33.6
205.16028	2.3
205.19514	24.6
207.06557	2.2
207.17485	5.5
213.16307	2.8
215.17999	14.8
217.19495	25.5
219.17462	4.9
219.21141	3.9
221.19025	4.5
227.18016	4.1
229.19482	15.2
231.21071	5.2
233.19035	7.1
235.20601	2.3
241.19534	2.8
243.21120	4.6
245.15530	2.0
245.22798	4.1
247.20596	5.1
255.21059	5.3
257.22733	9.6
269.22607	7.9
271.24228	2.8
275.23718	5.0
283.24155	2.7
287.23730	3.8
297.25897	2.2
313.28854	2.7
326.62805	1.9
353.32169	7.0
355.29742	2.2
381.23849	7.0
394.12793	1.6
407.25067	1.9
407.36737	28.4
425.12271	3.2
425.21301	3.6
425.26331	12.2
425.37796	72.5
426.22534	2.4
426.38089	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.69501	2.0
53.03946	3.3
55.05516	16.9
57.07070	7.8
67.05508	25.6
69.06725	3.2
69.07074	42.6
69.70045	5.8
69.70452	5.4
71.04986	7.3
79.05500	19.3
81.07065	100.0
83.08607	11.9
89.06097	1.7
91.05479	13.4
93.07058	44.0
95.08614	84.2
97.10168	8.4
98.21550	2.5
105.07036	35.2
105.93498	2.0
107.08601	70.3
109.10164	68.1
111.08056	2.2
111.11761	7.1
117.07005	2.6
119.08597	39.2
121.09319	4.1
121.10155	67.3
123.11713	31.6
125.09621	2.6
127.11220	13.3
131.08569	8.4
131.82242	2.1
133.10129	24.9
135.11699	52.3
137.13264	17.6
139.11142	2.3
143.08548	4.1
145.10158	14.2
147.11697	30.0
149.13264	33.1
151.14835	3.1
153.12691	3.4
157.10091	4.4
159.11707	22.9
161.13248	23.6
163.14821	21.4
171.11626	3.1
173.13312	16.4
175.14856	20.6
177.16406	21.6
187.14859	12.1
189.16393	18.2
191.17967	19.2
193.15929	3.8
195.17455	6.7
199.14850	3.7
201.16423	9.2
203.17992	15.1
205.19637	2.3
207.17474	3.0
211.20496	2.3
213.16414	6.1
215.17964	16.1
217.19527	13.6
218.62544	1.9
219.58850	2.1
227.18004	4.6
229.19481	14.5
231.21133	13.0
243.21030	3.6
255.21080	2.9
257.22717	8.6
259.21063	2.0
259.24261	4.9
269.22641	2.9
271.24258	5.8
275.23804	2.1
283.24265	4.6
285.25873	5.8
300.73978	2.2
301.25275	2.6
339.30444	4.0
343.29980	4.6
369.31433	2.9
407.36691	20.4
425.37817	96.2
426.38266	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05510	19.6
57.07078	6.4
60.02530	2.0
65.03945	2.6
67.05508	29.8
69.07076	34.1
70.99419	3.2
70.99770	4.3
71.04991	7.3
71.08659	2.6
79.05492	16.0
81.07062	60.6
83.04988	3.5
83.08634	19.1
85.10236	2.1
89.06042	3.1
91.05489	15.7
93.07045	44.1
94.03692	2.1
95.08610	87.7
97.06515	3.8
97.10159	11.8
105.07030	32.5
107.08604	62.1
109.10162	76.6
111.08092	3.9
111.11709	6.8
119.08593	40.5
121.10155	44.4
123.11720	33.3
127.11224	9.2
131.08574	11.0
133.10139	30.9
135.11700	48.6
137.13257	14.0
145.10146	17.8
147.11678	31.3
149.13280	32.1
151.14854	2.2
157.10057	3.0
159.11746	19.4
161.13277	21.5
163.14847	19.0
167.07024	2.4
171.11719	4.5
173.13287	12.7
175.14793	19.4
177.16396	15.3
179.14397	2.8
185.13283	4.8
187.14830	15.0
189.16382	14.6
191.18013	11.2
195.17485	5.1
199.14729	3.1
201.16411	8.6
203.17973	16.6
205.19588	5.2
207.17622	3.9
213.16489	3.8
215.17986	9.5
217.19609	13.5
219.61935	2.2
221.19061	2.6
227.17905	5.6
229.19543	11.8
231.21030	13.9
241.19550	3.8
243.21147	3.3
243.98843	2.5
255.21037	3.2
257.22717	4.0
259.24124	4.2
271.24051	5.9
283.24365	2.7
285.25912	6.1
297.25809	3.4
325.28983	2.3
343.29907	6.0
352.40546	2.4
407.36664	16.0
425.37799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03941	3.3
55.05513	21.3
57.07076	8.7
60.16314	2.0
66.99169	1.9
67.05510	34.7
69.07070	59.0
69.60379	9.0
69.60793	4.2
71.04977	3.4
71.08644	2.8
74.63385	1.8
79.05499	21.8
81.07059	100.0
83.08625	15.8
85.06542	3.6
89.06049	4.0
91.05491	15.4
93.07050	42.9
95.04957	3.1
95.08611	93.9
97.06564	4.3
97.10173	7.9
98.20779	4.2
105.07040	31.0
107.08606	56.7
109.10162	77.2
111.08074	3.2
111.11716	23.1
117.07016	3.2
119.08603	33.8
119.09455	2.8
121.10150	49.0
123.08053	2.2
123.11719	32.9
125.09591	2.6
127.11258	2.9
128.13153	2.2
131.08592	7.7
133.10138	24.9
135.11696	38.2
137.09647	4.3
137.13277	18.0
139.11163	2.4
143.08624	3.2
145.10123	14.2
147.11702	26.3
149.13261	36.3
151.11247	6.9
151.14848	5.5
157.10214	4.1
159.11688	15.3
161.13277	18.5
163.14801	13.7
169.02739	2.8
171.11726	5.5
173.13313	12.1
175.14816	18.6
177.16403	21.6
185.13327	5.4
187.14917	8.9
189.16367	13.1
191.17891	9.9
193.15948	2.0
195.17458	10.3
199.14964	3.5
201.16394	10.3
203.17964	13.3
205.19539	4.4
207.17653	3.0
213.16414	3.5
215.17961	10.9
217.19522	16.0
227.18007	4.6
229.19563	7.0
231.21182	7.5
233.19009	6.1
241.19496	2.5
243.20978	4.2
245.22586	2.2
257.22705	6.4
259.24231	6.0
269.22772	3.0
271.24362	7.4
275.23926	2.4
283.24289	5.4
311.27505	2.6
325.28976	8.6
343.29916	3.0
369.31638	3.3
407.36838	26.2
425.37936	77.0
425.43546	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05510	16.6
57.07063	7.1
67.05513	38.3
69.07071	45.3
69.72005	15.6
71.04987	2.8
71.08662	3.2
79.05502	21.3
81.07061	81.3
83.04971	4.3
83.08614	19.3
83.45603	2.8
89.06033	3.6
91.05465	22.4
93.07042	56.4
95.08611	100.0
97.06541	6.2
97.10166	13.1
98.20775	5.8
105.07034	36.1
107.08598	59.9
109.10155	75.2
111.11722	6.6
112.87328	3.1
119.08578	39.5
121.10155	56.5
123.11687	30.4
125.09658	6.6
131.08565	8.6
133.10139	31.3
135.11711	35.5
135.99680	2.8
136.00699	2.9
137.13226	13.8
143.08545	4.4
145.10176	21.0
147.11685	41.2
149.13277	30.0
151.11154	3.3
157.10133	7.4
159.11707	21.8
161.13295	24.4
163.14822	21.4
171.11700	6.6
173.13295	15.2
175.14828	13.3
177.16385	19.3
185.13300	5.1
187.14821	16.6
189.16370	13.8
191.17928	11.5
201.16403	10.4
203.17964	22.0
207.17445	5.0
213.16420	4.8
215.18007	14.3
217.19574	4.4
227.17899	4.5
229.19496	7.4
231.21068	7.0
233.18893	2.9
240.15405	4.0
241.19597	4.7
243.21089	5.3
251.67937	3.3
257.22556	6.3
269.22552	4.1
283.24002	5.9
285.25665	4.0
297.25580	4.6
325.28812	19.0
343.30054	16.8
351.30362	5.8
369.31293	5.0
407.36795	27.2
425.21552	8.0
425.37863	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05508	14.2
57.07066	5.9
65.03944	2.3
67.05506	22.1
69.07077	23.9
69.89822	11.6
76.58104	2.4
79.05492	12.9
81.07062	51.5
83.08614	10.9
91.05460	13.3
93.07050	29.5
95.08615	100.0
97.06586	2.3
97.10162	9.1
97.60513	2.2
105.07053	28.7
107.08599	57.2
109.10165	72.1
111.11752	4.0
117.07032	2.9
119.08595	38.2
121.10142	55.2
123.08060	2.4
123.11710	33.5
131.08580	9.1
133.09222	4.0
133.10146	42.3
135.11705	34.6
137.13252	20.4
145.10117	9.5
147.11700	25.6
149.13281	29.3
159.11719	16.6
161.13266	31.6
163.14813	22.1
173.13248	10.4
175.14870	20.5
177.16426	24.3
179.14357	5.8
182.94006	2.2
185.13300	2.7
187.14824	8.6
189.16386	20.0
191.17969	26.4
201.16397	15.3
203.17979	32.1
205.19522	18.4
207.17427	10.3
213.16490	3.3
215.17946	13.3
217.19492	24.0
219.17630	3.6
219.21175	3.4
221.19008	3.6
227.18062	3.5
229.19589	11.3
231.21117	5.2
232.13455	2.7
233.19086	4.6
243.21118	4.4
245.22798	5.5
247.20580	5.7
250.84288	2.5
255.21120	2.9
257.22702	8.2
259.36945	2.6
269.22610	2.7
271.24274	4.0
275.23834	3.9
283.24200	3.9
287.23715	4.7
295.28659	2.4
297.25723	3.4
315.26675	3.0
407.36777	30.7
425.24948	5.2
425.37778	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03951	2.0
55.05513	13.6
57.03429	1.7
57.07074	5.3
59.04981	1.6
65.03941	1.7
67.05508	20.7
69.07072	21.3
69.89374	1.7
69.89671	7.9
71.05028	1.5
71.08630	1.7
79.05492	11.9
81.07065	43.0
81.87666	1.5
83.08616	14.0
85.06542	2.7
86.04022	1.8
91.05479	13.7
93.07046	38.6
95.08613	100.0
95.84039	1.7
97.10181	9.5
98.20833	2.2
105.06387	1.4
105.07031	29.3
107.08599	59.0
108.12708	1.8
109.10162	75.8
111.08055	3.0
111.11713	7.0
113.09700	1.8
117.07027	1.7
118.96967	1.7
119.08589	49.1
121.10139	54.4
123.08084	1.9
123.11715	36.1
125.09491	1.6
131.08597	7.1
133.10135	43.5
135.11700	51.2
137.13274	11.2
143.08524	2.5
145.10135	9.2
147.11696	31.1
149.13268	23.5
151.11172	2.8
151.14812	3.6
157.10165	3.5
159.11711	16.0
161.13266	39.0
163.14839	28.9
165.12726	1.9
171.11739	2.2
173.13271	11.8
175.14815	30.5
177.16405	25.1
179.14372	11.0
179.17998	6.0
187.14815	13.9
189.16389	38.6
191.17946	18.2
193.16017	1.7
199.14807	3.5
201.16383	14.5
203.17976	29.4
205.15961	2.0
205.19528	17.8
207.17435	29.5
212.10463	1.4
213.16405	4.2
215.17998	12.4
217.19528	30.6
219.17355	2.8
219.21066	4.8
221.19102	2.3
227.18001	4.7
229.19513	13.4
231.21109	10.8
233.19058	4.1
241.19452	2.1
243.21088	9.5
245.22704	11.0
247.20418	2.7
255.21078	3.7
257.22617	10.5
259.24347	2.9
261.22223	2.7
269.22739	3.8
271.24231	11.5
281.97116	1.5
283.24243	2.8
285.25708	2.4
287.23840	2.4
297.25677	10.3
311.27109	1.9
315.26779	5.4
323.27231	2.0
337.28900	2.7
344.52798	1.6
351.30319	2.0
365.32184	5.8
389.00757	1.5
407.36731	43.9
425.26031	2.7
425.37823	78.3
426.38559	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05516	11.1
57.07065	5.7
60.23039	1.5
67.05179	2.0
67.05507	24.4
69.06724	1.9
69.07076	23.4
69.75066	9.1
79.05489	10.9
81.07063	59.9
83.08618	13.1
89.28295	1.5
91.05453	10.3
93.07052	29.7
95.08608	100.0
97.10197	7.9
99.08135	1.7
105.07038	20.0
107.07854	3.4
107.08595	48.9
109.10159	60.2
111.11708	3.3
119.08584	30.6
121.09316	3.1
121.10156	44.3
123.11720	35.3
125.09631	2.0
131.08554	10.8
131.44344	1.5
133.10123	29.5
135.11693	33.7
137.13258	34.6
139.11172	4.5
143.08560	1.9
145.10127	10.8
147.11697	16.7
149.13274	37.0
151.14828	3.9
154.34013	1.5
156.25612	1.6
159.11708	13.7
161.13243	21.9
163.14853	17.3
165.12776	2.3
171.11694	2.2
173.13295	8.2
175.14839	18.7
177.16380	23.3
179.17934	4.7
187.14825	10.8
189.16360	15.2
191.17941	22.5
201.16362	12.3
203.17978	25.1
205.15877	1.9
205.19513	27.3
207.17473	5.0
212.12599	1.8
213.16306	1.9
215.17999	14.0
217.19496	26.5
219.17401	5.4
219.21088	3.8
221.19043	5.0
227.17941	1.9
229.19522	16.2
231.21101	6.7
233.19026	6.9
235.20595	2.1
241.19324	2.3
243.21153	5.0
245.22665	5.2
245.85217	1.6
247.20570	6.8
255.21158	3.3
257.22729	8.4
259.20605	3.3
269.22650	5.3
271.24344	3.8
273.22223	2.9
275.23773	6.6
283.24158	4.5
287.23660	5.3
301.25314	3.3
313.28931	4.8
353.32025	4.7
407.36746	25.2
425.37796	79.8
425.86325	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05515	12.9
57.07071	5.1
60.22009	1.7
67.05511	27.0
67.74068	1.8
69.06729	2.0
69.07072	26.2
70.13682	5.6
74.45444	1.7
79.05493	14.2
81.07064	47.8
83.08624	13.5
91.05491	14.9
93.07043	35.4
95.04949	2.1
95.08617	100.0
97.10171	8.2
99.45901	1.7
102.68358	1.6
105.07047	31.0
106.78809	1.7
107.08604	61.7
107.62283	1.6
109.10167	79.7
111.08083	2.4
111.11734	8.9
117.07013	3.9
119.08597	44.9
121.10155	53.3
123.08109	2.5
123.11710	32.9
127.11218	2.5
131.08588	4.8
133.10139	37.6
135.08159	2.0
135.11711	47.7
137.13248	9.4
145.10139	12.0
147.11691	36.2
149.13280	25.4
151.11208	3.0
159.11702	18.5
161.13260	38.0
163.14836	30.8
165.12787	2.5
171.11742	3.8
172.12524	1.6
173.13283	13.1
173.94705	1.6
175.14833	25.7
177.16397	28.9
179.14326	6.7
179.17963	5.6
187.14859	11.1
189.16399	37.4
191.17961	21.4
193.15877	3.4
199.14801	3.6
201.16380	14.3
203.17986	33.5
205.15945	2.0
205.19490	18.2
207.17455	35.1
213.16394	2.7
215.17992	16.4
217.19568	30.7
219.17375	2.8
219.21133	5.5
227.17813	2.6
229.19576	12.1
231.21066	12.0
233.19104	4.1
241.19617	1.8
243.21057	10.0
245.22649	10.5
247.20610	1.8
254.20166	2.0
255.21046	4.8
257.22604	9.6
259.24274	1.9
269.22656	5.0
271.24054	9.1
283.24130	3.2
285.25937	1.8
287.23816	1.7
297.25793	7.5
310.08221	1.6
315.26868	6.7
365.32175	3.7
407.31583	3.0
407.36792	46.3
407.42117	2.3
425.23642	2.6
425.37811	91.2
426.38043	1.7
429.65927	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.07227	1.3
53.03951	1.8
53.54465	1.3
55.05517	10.9
57.07059	5.2
61.11466	1.4
67.05508	21.1
69.07074	21.4
70.92699	2.3
70.93003	1.4
79.05502	12.6
81.07059	61.1
83.08629	16.5
91.05478	10.0
93.07050	26.8
95.08611	100.0
97.10172	6.9
103.72469	1.4
105.07041	22.4
107.08598	46.2
109.10162	62.4
111.08087	2.1
111.11720	2.6
117.07019	1.6
119.08591	30.5
121.10153	43.5
121.51371	1.4
123.11711	33.5
125.09643	2.0
131.08577	10.0
133.10144	24.0
135.11696	30.6
137.13261	33.7
139.11214	1.6
143.08591	1.6
145.10139	7.7
147.11700	17.7
149.13269	34.9
151.11099	1.4
151.14795	3.8
157.10083	2.0
159.11687	12.0
161.13271	24.6
163.14853	14.5
165.12752	2.9
171.11731	3.1
173.13290	10.0
175.14845	19.7
177.16400	26.8
179.17941	2.7
185.13287	2.1
187.14821	9.6
189.16394	16.1
191.14397	2.9
191.16206	1.8
191.17970	24.9
199.14917	2.0
201.16402	10.6
203.17992	25.1
203.61270	1.6
205.15849	2.4
205.19513	24.7
207.17451	3.1
213.16304	2.9
215.17966	17.4
217.19539	22.1
219.17487	5.1
219.21109	3.8
221.18935	4.0
227.17993	3.1
229.19516	15.6
231.21094	4.9
233.18953	6.8
235.20499	1.5
241.19464	3.1
243.21143	5.2
245.22705	4.5
247.20625	10.3
255.21031	3.4
257.22708	8.6
258.18521	1.4
259.20706	1.6
261.22220	1.9
269.22784	5.1
271.24377	2.6
273.22308	3.9
275.23825	6.9
283.24200	4.0
287.23737	4.2
297.25745	4.3
301.25360	2.8
313.28961	3.5
353.31949	6.8
365.32135	1.8
407.36804	24.3
410.13336	1.5
425.37793	81.5
426.38049	2.2
441.26520	1.5
442.37982	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97105	0.4
54.67611	0.4
55.05512	0.7
55.40203	0.4
55.89041	0.4
57.07071	0.6
57.42837	0.4
67.05508	1.0
69.07088	1.1
71.06310	0.8
81.07063	2.0
83.08585	0.9
93.07043	0.9
95.08607	1.9
105.07031	0.7
107.08585	1.2
109.10158	1.3
109.79816	0.4
112.99982	0.5
113.77692	0.4
118.35788	0.4
119.08582	1.0
121.10183	0.7
121.65609	0.5
123.11749	0.7
127.37083	0.4
133.08577	0.6
133.10152	0.6
141.25525	0.4
142.21675	0.4
149.13235	0.7
169.02605	0.6
175.14906	0.6
240.15276	0.6
276.45877	0.5
326.92792	0.5
332.62625	0.4
344.93262	0.6
407.36798	0.5
425.21460	2.6
425.32397	100.0
426.32693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03946	1.6
55.05518	11.7
57.07073	7.4
59.10335	1.2
63.16779	1.4
64.25231	1.1
67.05508	22.9
69.03443	1.2
69.07073	21.8
70.54507	1.5
71.08613	2.3
74.14713	1.1
79.05495	11.8
79.33772	1.4
81.07062	63.0
83.08624	13.5
91.05476	8.1
91.62070	1.5
93.07056	25.7
95.08615	100.0
97.10183	7.6
105.07048	23.4
107.08604	50.6
109.06558	1.8
109.10162	64.0
109.14108	1.7
111.11710	3.6
117.07036	2.7
119.08585	28.2
119.09361	2.5
121.10155	41.1
123.08045	1.5
123.11722	30.9
131.08559	6.9
133.10143	27.7
135.11708	30.4
137.13263	33.4
139.11168	2.3
143.08559	2.0
145.10129	12.5
147.11707	21.3
149.13274	32.5
151.14806	3.0
157.10178	2.9
159.11711	11.2
161.13268	21.8
163.11220	1.6
163.14838	16.9
165.12724	1.7
168.48416	1.3
171.11737	2.1
173.13277	11.2
175.14836	20.4
177.16388	30.3
179.14377	1.8
179.17943	4.7
185.13260	1.5
187.14796	8.6
189.16414	13.4
191.14276	2.0
191.17966	21.9
201.16389	11.8
203.17969	26.6
205.15903	1.9
205.19548	21.8
207.17432	4.2
213.16441	2.4
215.17973	14.0
217.19505	23.8
219.17509	4.9
219.21059	4.2
221.19016	4.0
227.17944	1.8
229.19531	14.5
231.21117	6.6
233.18996	7.4
241.19598	3.1
243.21094	4.7
245.18904	1.9
245.22684	5.4
247.20680	7.4
249.97159	1.5
255.21144	4.2
257.22610	7.3
259.20557	2.7
259.24146	1.6
269.22662	5.7
271.24277	3.7
273.22183	3.1
275.23715	7.0
283.24222	2.6
287.23727	4.4
297.25729	1.7
301.25165	2.4
313.29129	2.4
353.32053	5.5
407.36752	23.1
414.18976	1.5
425.37811	74.0
428.70639	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.7
57.03426	4.5
57.07080	21.8
62.76784	1.0
67.05498	4.7
69.07058	3.3
69.34216	4.2
69.34643	5.6
71.08640	12.6
79.05492	1.5
81.07056	6.5
83.08612	4.3
85.10186	7.1
89.05998	2.3
93.07017	1.6
95.08611	10.4
97.10159	1.7
103.49353	1.0
107.08604	1.2
109.10178	6.5
113.00027	71.1
117.17509	1.2
119.08617	1.8
121.10112	2.4
123.11732	1.9
124.49921	1.0
133.10167	1.5
135.11687	1.3
145.10155	1.2
147.11682	2.3
169.02629	100.0
187.03702	3.5
187.15089	1.2
201.16199	1.2
203.17870	1.2
242.78491	1.2
261.24915	1.1
313.27390	39.0
407.25290	2.0
425.21735	1.9
425.37918	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	425.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.4
57.07080	100.0
57.55446	1.5
59.05006	19.4
65.48593	1.5
67.05492	5.1
69.07066	4.7
71.08637	83.8
73.02908	1.9
74.08832	1.9
81.07053	6.5
83.08609	3.4
85.06557	2.5
85.10188	81.5
87.04480	6.2
89.06036	6.3
90.01936	10.2
95.08606	8.7
97.10143	2.3
97.72805	1.6
99.11737	13.4
103.07576	2.0
105.07005	1.8
107.08607	2.1
109.10144	9.7
111.11745	2.7
113.00034	9.1
113.13292	1.8
117.09119	5.0
119.08636	1.6
121.10152	2.8
123.11692	2.9
124.44617	1.8
135.11734	2.3
141.16357	3.9
147.11653	2.2
149.13245	2.2
150.60019	1.8
155.17952	5.5
169.02646	10.1
172.89450	1.7
196.08220	2.8
199.20576	6.9
200.52512	1.9
203.18065	2.5
213.22179	4.6
229.07468	1.8
257.24915	2.8
313.27377	4.6
327.40903	1.8
402.79825	1.8
425.21439	5.1
425.32733	2.2
425.37668	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01882	6.1
55.05510	17.8
56.96564	5.7
56.96914	2.2
57.03436	3.2
57.07067	5.8
61.02914	5.0
65.03940	4.8
67.05507	25.6
68.99807	3.7
69.03428	25.5
69.06774	2.9
69.07073	32.2
71.04980	4.1
79.05492	24.5
81.03436	18.5
81.07058	52.8
83.04992	6.1
83.08618	11.9
84.04477	5.1
84.08161	3.0
85.02902	26.0
87.00818	15.3
91.05479	45.8
93.07042	37.2
95.04958	6.7
95.08614	100.0
95.09239	4.9
97.02892	13.6
97.06540	7.4
98.20717	6.9
98.97576	5.7
99.04452	6.5
99.08092	6.1
103.03910	3.4
103.05475	2.9
105.01897	4.3
105.07040	45.2
107.04965	6.0
107.08604	53.3
109.02880	10.8
109.06514	7.8
109.09460	3.6
109.10164	38.5
111.04426	5.4
111.11688	5.6
115.03934	9.6
117.07032	7.5
119.04944	11.0
119.08586	49.2
120.09023	3.0
121.06504	8.4
121.10152	52.2
123.04411	5.5
123.08062	5.9
123.11722	42.6
123.56332	3.1
125.05952	4.3
125.09672	3.2
127.03902	16.9
129.07021	8.8
131.08559	18.4
133.06516	4.7
133.10135	39.6
135.08037	3.8
135.11708	31.7
137.05989	28.7
137.09698	2.7
137.13266	6.7
141.07018	4.1
143.08559	11.1
145.06454	4.0
145.10155	23.7
147.08025	7.5
147.11691	26.4
149.09584	5.7
149.13293	13.0
151.07405	3.0
155.08565	4.5
157.10121	13.9
159.02917	5.8
159.08011	4.0
159.11714	24.8
161.09619	8.1
161.13246	22.8
163.11218	2.8
163.14838	26.8
165.09161	4.3
165.12515	2.8
169.10165	5.1
171.11670	10.3
173.09621	4.3
173.13278	15.9
175.14819	49.3
177.05399	3.5
177.16374	33.3
179.08601	3.8
179.14325	3.0
181.10124	4.1
183.11687	4.7
184.07312	3.7
185.09715	4.4
185.13274	7.1
187.11142	2.6
187.14801	13.3
189.03854	4.1
189.12730	3.4
189.16357	16.2
191.17941	5.0
193.08545	2.7
193.15948	4.0
197.13264	5.8
199.14842	10.5
201.16422	20.2
203.17949	11.0
205.15878	7.2
205.19510	6.6
207.17343	5.1
209.13359	3.9
213.12871	3.4
213.16344	3.3
215.18024	5.8
217.15903	5.5
217.19540	6.1
219.17473	11.0
225.16446	3.3
227.14362	3.6
229.19490	5.2
229.24892	3.4
231.17473	3.7
241.15854	3.8
243.17406	3.2
257.19022	4.3
257.22565	3.2
267.17502	13.2
272.20023	19.6
285.18469	17.7
290.21088	10.8
303.19531	10.4
362.79086	2.7
363.23611	2.8
371.18564	3.3
375.10486	4.3
389.19708	14.8
397.25781	10.2
407.20758	25.0
407.36630	5.0
425.12384	9.5
425.21115	8.4
425.25333	19.6
425.30743	4.1
425.32516	3.6
425.37701	27.1
426.26416	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01873	6.7
55.05517	7.2
57.03439	3.2
57.07076	2.7
67.05505	15.2
68.99797	3.3
69.03432	17.9
69.07070	20.8
70.48367	3.2
71.01362	1.7
71.05005	2.3
79.05501	13.3
81.03432	9.7
81.07063	31.0
83.04993	6.0
83.08640	4.9
84.04513	5.7
85.02906	17.5
85.06551	3.3
87.00830	8.7
87.04488	2.0
91.05484	12.8
93.07048	22.7
95.04978	4.6
95.08617	54.7
97.02888	9.8
97.06522	3.5
99.04472	2.5
99.08105	2.8
103.03974	2.5
105.01903	3.5
105.07044	22.9
107.04969	4.3
107.08604	27.6
109.02901	7.9
109.06545	5.0
109.10167	17.3
111.04440	4.0
111.08088	2.1
111.11748	6.6
113.09624	2.5
115.03943	4.3
117.07057	5.5
119.08596	29.6
121.06525	7.6
121.10151	30.4
121.98084	1.4
123.04453	2.8
123.08119	2.7
123.11716	27.7
127.03944	8.2
128.06290	1.8
129.01881	2.7
129.05467	1.6
129.07042	3.5
130.05052	2.7
131.05142	1.5
131.08582	10.9
133.10150	18.7
135.08127	3.7
135.11710	20.6
137.06007	3.7
137.09647	1.6
137.13284	3.8
139.11182	1.6
141.07024	2.7
142.07826	1.4
143.08574	9.2
145.05019	2.3
145.06487	2.3
145.10129	13.3
147.08090	4.1
147.11693	10.7
149.09671	2.0
149.13290	8.7
155.08594	3.8
157.10152	7.5
159.02962	4.2
159.11697	12.8
161.09677	3.6
161.13286	11.6
163.11143	2.9
163.14806	15.6
165.09125	2.8
169.10201	4.3
171.02910	2.0
171.11685	7.2
173.13272	12.4
175.07600	2.0
175.11295	2.0
175.14839	35.2
175.16273	2.6
177.16388	19.9
179.07118	2.4
181.10144	3.1
183.11774	3.6
185.13332	5.1
187.11189	2.6
187.14786	9.1
189.03975	2.2
189.12769	2.0
189.16382	10.8
191.10753	2.0
191.14392	1.5
191.18019	2.4
197.13380	4.2
199.14894	6.4
201.16371	12.1
203.14253	1.9
203.18102	1.9
205.15886	3.9
207.11745	3.1
209.13309	2.6
211.11308	1.8
213.16435	4.7
215.14528	2.5
215.18079	1.6
217.16011	6.8
219.04872	1.5
219.17497	8.0
223.14807	1.7
225.12888	1.8
227.14429	3.7
229.12387	2.0
229.16040	2.5
231.17487	3.3
235.16930	2.6
239.17952	1.9
241.15912	4.0
243.17528	4.0
249.16362	2.3
255.06728	3.0
257.19269	2.0
261.18521	2.1
264.10104	5.7
267.17551	6.2
281.11420	1.6
285.18515	13.5
289.05292	22.7
303.19421	9.5
307.56525	2.2
321.20514	2.0
330.16745	1.4
358.83920	1.5
375.10434	2.6
389.19540	9.0
393.11337	3.4
393.74133	1.8
394.13293	3.2
407.20593	20.7
407.36716	1.7
414.31113	1.5
425.12991	4.2
425.25290	100.0
425.37830	5.9
426.15567	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	425.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42780	2.0
89.00925	4.7
101.00873	12.6
103.80301	2.4
112.89621	50.9
113.00929	3.4
114.89346	11.3
119.01968	13.2
131.01912	6.5
135.01448	2.2
139.02380	4.6
143.01942	15.6
145.03474	6.2
155.01944	17.8
157.03453	18.2
159.01448	3.4
161.02980	22.3
165.62059	2.7
167.01956	2.7
169.03427	2.8
173.02985	18.5
175.04539	2.9
185.03004	9.4
187.04613	3.4
191.04118	2.8
197.03036	3.5
203.03976	12.2
221.05096	25.6
239.06116	14.1
245.05069	16.9
263.06134	61.7
263.08755	3.3
275.06146	65.7
281.07166	14.7
293.07187	7.0
305.07080	10.7
323.08365	3.4
350.96365	31.2
356.83008	2.4
365.09418	21.2
383.10809	10.3
425.11462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22479	0.4
55.05496	0.9
57.07059	0.4
59.04987	0.5
59.48206	0.4
63.21410	0.4
67.05502	1.2
69.07069	2.2
79.04173	0.4
79.05505	1.2
81.07061	5.2
82.74564	0.4
91.05488	2.8
93.07030	1.1
95.08628	2.2
98.97575	0.8
105.07000	0.9
107.08617	0.8
109.10145	0.6
119.01921	0.7
119.08553	0.9
121.10122	0.8
121.60225	0.4
123.11749	0.6
127.00036	0.6
137.05960	0.9
137.13202	0.4
143.01900	0.5
147.11674	0.6
157.03419	0.5
167.97374	0.6
184.53847	0.4
185.04301	0.6
187.00816	0.7
195.01379	1.3
227.05283	0.6
229.01791	0.4
245.06277	3.0
271.04236	0.9
287.03723	1.8
289.05301	11.5
311.61755	0.5
321.04568	0.6
339.17737	1.9
374.21436	0.4
381.18854	18.4
425.17822	100.0
425.24509	3.7
426.18115	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87324	1.3
69.87733	1.7
70.06581	1.2
82.99860	2.5
84.04443	0.6
85.02916	0.8
97.02908	1.2
98.05950	0.6
98.20691	0.6
101.00885	17.9
109.02869	0.9
113.00867	4.5
119.01930	15.1
127.02450	3.4
129.00366	0.6
129.03908	0.5
131.01921	8.7
133.03508	0.6
137.02974	0.6
137.05933	0.9
139.02457	2.6
143.01907	39.4
145.03464	8.4
147.01376	0.7
147.05005	0.5
149.02910	0.6
155.01900	16.6
157.03456	6.1
161.02965	37.0
162.03177	0.7
163.04570	0.7
167.01898	12.6
169.03479	3.4
171.01480	0.6
171.05042	2.1
173.02986	17.1
175.04614	0.9
179.01915	4.7
181.03600	0.7
184.04535	0.7
185.02969	30.8
187.04509	2.5
191.04073	3.7
197.02954	13.1
199.04549	0.8
203.04010	13.7
209.03006	1.4
210.89183	0.5
215.04031	5.6
221.05119	0.9
227.04045	9.0
233.05157	0.7
242.93489	0.6
245.05087	100.0
246.05305	2.6
257.05060	5.3
263.06140	24.3
270.88861	0.6
275.03098	0.8
275.06119	13.0
286.07840	0.6
291.09177	0.7
293.07138	3.5
305.07184	11.3
305.10483	0.9
306.07410	0.7
317.07083	0.9
335.08325	3.7
347.08392	0.7
365.05157	0.9
365.09344	9.2
425.05725	3.5
425.11734	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	424.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81517	0.3
53.54488	0.3
55.01859	0.5
59.77736	0.3
63.02769	0.3
67.05476	0.4
69.41962	0.6
69.42373	2.2
71.58377	0.3
75.67474	0.3
84.04509	1.6
91.05455	1.0
119.04926	0.5
123.11682	0.3
130.04985	0.8
135.04428	0.6
137.05949	0.9
149.05951	0.6
163.06288	3.0
170.77554	0.3
189.07121	0.3
202.07739	0.5
203.08597	0.5
204.08195	1.2
205.08807	1.6
206.09851	0.3
209.08376	0.6
215.08519	0.6
217.08652	0.5
232.07605	0.6
232.11217	0.8
233.08267	1.9
234.09152	2.6
235.09914	3.3
243.08109	0.8
247.07509	0.3
259.07434	0.6
260.10703	1.4
261.07870	5.9
262.08649	4.1
263.09424	100.0
264.09924	2.3
271.07437	0.4
273.09116	1.0
274.08618	5.6
275.09448	1.8
276.07401	0.5
276.10162	2.8
285.07758	0.6
286.08566	0.5
287.09326	0.6
288.09952	2.8
288.12936	0.6
289.10992	0.5
290.08167	2.3
290.11758	3.1
292.09720	0.8
298.08578	0.4
300.10138	1.4
301.10980	0.7
302.01685	0.3
302.08148	1.2
303.08936	2.4
304.09705	0.7
314.08118	0.4
316.09647	1.7
318.11258	10.3
328.09598	0.9
331.08334	2.2
334.10605	0.3
344.09277	1.2
346.10809	1.9
356.09271	0.6
357.07452	0.4
374.10236	84.3
375.10794	1.6
392.11288	79.4
393.11536	1.6
424.13934	35.6
425.14127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70667	1.1
53.03922	2.3
55.05506	15.0
56.96557	1.4
57.07076	6.3
65.03915	2.0
67.05178	1.6
67.05502	25.7
69.07063	27.2
70.65382	3.1
70.65752	2.7
71.04972	1.6
79.05489	17.1
79.83585	1.2
81.07056	62.3
83.04953	2.3
83.08613	13.9
85.02924	1.9
86.09724	1.1
91.05476	19.2
92.64642	1.3
93.06475	2.7
93.07039	41.8
95.04977	3.2
95.08604	100.0
97.06551	7.2
97.10155	8.5
98.97574	2.0
105.06305	1.5
105.07030	55.9
107.08592	61.6
109.06528	3.7
109.10152	65.0
111.08076	2.6
111.11715	2.4
117.07014	7.1
119.08575	69.3
121.06538	2.5
121.10142	47.5
123.08049	2.0
123.11714	25.6
125.09608	3.8
129.06950	3.4
131.08565	23.5
133.10130	41.1
135.11690	36.1
137.09615	3.2
137.13258	16.2
137.60103	1.3
143.08562	6.2
144.09335	3.9
145.10123	38.7
147.11682	32.7
149.13249	26.9
151.14842	3.2
153.12695	2.3
157.10112	10.3
158.10910	3.0
159.11687	48.7
161.13255	30.7
163.14819	13.3
169.10095	2.4
171.11646	7.3
172.12521	1.5
173.13251	30.1
175.13312	1.7
175.14825	29.1
177.12764	3.7
177.16380	10.1
179.14320	1.9
183.11667	3.6
184.12469	1.5
185.13239	8.0
186.14021	1.5
187.14813	16.9
189.16383	24.5
191.14301	11.1
191.17941	46.7
193.15877	4.7
197.13257	1.8
199.14783	3.8
201.16367	19.7
203.14284	4.1
203.17952	15.7
204.32939	1.4
205.15930	9.1
205.19516	19.2
211.14874	2.2
213.16412	5.3
215.17947	40.8
215.19913	2.7
217.15982	7.4
217.19461	10.4
219.17445	13.2
225.08041	1.5
225.16344	1.9
227.17976	3.9
229.19528	5.1
231.17432	5.2
231.21063	6.6
233.18990	54.5
235.20465	1.6
241.19495	2.8
243.17476	3.6
243.21115	3.7
245.19017	3.2
245.22708	5.8
253.19560	2.8
254.39177	1.3
255.21085	5.2
257.22610	3.2
267.21014	2.4
269.10559	1.4
269.22601	3.7
271.20599	2.9
271.24213	1.5
273.22076	3.4
281.22614	2.3
283.24323	2.0
285.22192	4.1
297.16742	1.6
297.25787	2.0
299.23743	1.8
363.30136	1.6
395.36810	2.2
405.35107	13.4
423.23050	7.1
423.36194	94.8
424.36368	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.05510	17.2
56.65314	1.4
57.07066	5.6
59.90420	1.4
62.39807	1.5
67.05509	26.2
68.70497	1.6
69.03413	2.9
69.06725	2.0
69.07072	25.0
69.30935	12.1
71.05001	2.3
77.96198	1.6
79.05493	16.8
81.03399	2.3
81.07057	63.2
83.04959	3.9
83.08623	14.0
85.02907	3.4
90.97686	1.6
91.05472	19.8
93.07047	40.9
95.04953	2.7
95.08611	100.0
96.08981	1.7
97.02792	1.5
97.06548	7.4
97.07066	1.5
97.10167	9.5
98.97591	1.7
99.08140	2.2
105.06316	2.2
105.07034	56.0
107.08600	66.2
109.06511	5.2
109.10158	60.3
111.08078	3.3
111.11716	2.5
115.05407	1.8
117.07005	7.0
119.08580	67.2
121.06528	1.9
121.10149	49.2
123.08044	2.3
123.11716	24.6
125.09667	3.9
129.07031	2.4
130.07768	1.7
131.08553	22.6
133.10138	37.1
135.11700	34.4
137.09576	2.9
137.13264	16.8
139.11203	2.0
143.08575	7.5
144.09329	3.0
145.09035	2.9
145.10124	37.8
146.10774	1.7
146.40845	1.5
147.11697	32.5
149.09587	2.4
149.13275	31.7
151.14792	2.9
155.08453	2.1
156.09431	1.7
157.10089	10.2
158.10963	3.3
159.11700	58.1
160.12375	2.0
161.13260	26.9
163.14848	12.0
169.10107	2.4
171.11693	9.3
172.12468	1.9
173.13272	30.1
174.13959	2.0
175.14830	25.9
177.12810	3.6
177.16374	10.7
179.14316	3.1
183.11633	2.3
185.13261	6.4
187.14819	19.3
189.12793	2.5
189.16388	29.2
191.14313	10.9
191.17957	48.5
193.15910	5.8
199.14836	6.7
201.16422	19.6
203.14240	2.4
203.17958	16.8
205.15813	8.3
205.19524	22.3
207.17517	3.7
213.16364	6.0
215.17975	47.4
217.15889	5.9
217.19521	12.1
219.17421	16.1
219.21088	2.2
225.16382	2.8
227.17938	4.4
229.15958	2.1
229.19518	6.2
231.17522	5.0
231.21095	3.9
233.19005	67.6
238.43863	1.7
241.19339	2.6
243.17482	2.6
243.21123	6.0
245.19025	2.5
245.22717	5.4
253.19315	1.8
255.21031	4.2
257.22577	2.3
267.20953	2.3
269.22647	4.4
271.20630	3.5
273.22153	3.2
285.22134	3.8
297.25763	1.9
325.16290	4.6
352.14832	1.7
371.43030	1.8
395.36649	2.0
405.35153	12.3
423.23505	34.5
423.36191	98.0
424.36826	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05498	9.6
56.89474	3.4
59.19688	3.0
61.91203	2.8
67.05508	22.8
67.89265	2.4
69.07072	34.6
69.18101	2.4
71.08643	3.0
71.19685	4.3
75.39580	2.7
79.05490	6.4
81.07063	42.3
83.08611	10.8
91.05473	12.3
93.07056	28.0
93.78404	2.8
95.08611	74.5
97.06505	5.5
97.10184	6.5
105.07043	22.8
107.08595	55.5
109.06539	3.1
109.10157	64.2
109.60886	3.1
111.11715	8.8
117.07011	3.3
119.08579	37.1
121.10149	46.2
123.08082	4.2
123.11724	23.8
125.09685	4.6
130.00925	2.5
131.08574	10.0
133.10127	36.8
135.08115	4.3
135.11690	27.1
137.13272	12.9
145.10130	12.2
147.11673	21.9
149.09593	5.0
149.13266	14.7
151.14888	3.7
159.11673	15.2
161.13257	23.6
163.11140	5.7
163.14804	7.1
165.12869	4.2
171.11765	6.5
173.13298	8.0
175.14882	13.3
177.12764	5.5
177.16385	10.8
179.14243	4.0
185.13362	3.9
187.14850	7.5
189.16455	12.9
191.18011	10.4
193.15900	3.1
199.14821	4.5
201.16402	11.0
203.17982	21.7
205.15910	11.1
205.19569	10.2
213.16377	5.6
215.17957	9.5
217.19504	20.0
219.17470	12.1
227.17996	3.5
229.19583	4.7
231.17520	6.9
231.21117	11.1
232.40784	2.7
239.14987	3.0
241.19566	4.4
243.20995	5.1
245.19104	4.1
245.22679	6.7
255.21135	5.9
259.20535	5.0
271.24405	5.1
285.22333	6.5
285.25519	3.5
313.25189	4.2
325.02371	3.6
327.26624	3.2
405.35220	14.8
423.31308	6.1
423.36227	100.0
440.92337	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	423.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.2
57.03431	1.9
57.07074	1.6
59.05004	0.6
60.32176	0.5
67.05509	12.0
69.03454	0.6
69.07072	6.8
69.47266	3.4
71.04994	2.1
71.08625	1.1
71.52738	0.6
79.05494	6.3
81.07066	12.1
83.05000	1.3
83.08607	3.1
85.06544	1.1
91.05486	4.9
92.09402	0.5
93.07048	8.1
95.04986	1.0
95.08614	9.2
97.06552	2.1
97.10164	0.8
99.08128	0.9
100.90026	0.6
105.07041	4.7
107.08596	7.2
109.06531	8.7
109.10168	6.3
111.08110	1.7
119.08580	5.5
121.06509	0.9
121.10140	4.5
123.08076	38.7
123.11726	1.3
131.08580	2.3
133.10155	3.7
135.08076	7.3
135.11707	2.5
137.09647	2.2
137.13251	1.0
144.09378	0.7
145.10149	3.1
147.11720	3.3
149.09650	3.2
149.13304	2.1
151.11166	1.0
151.14934	0.7
158.61591	0.6
159.11653	3.1
161.13284	1.4
163.11240	0.8
163.14799	0.8
165.12830	0.7
173.11711	0.7
173.13293	1.2
175.14857	0.7
177.12776	4.5
179.14320	21.3
191.14388	0.7
193.15924	0.8
205.16011	1.3
218.48097	0.7
233.19128	1.2
247.20557	1.4
263.20197	1.4
275.20074	4.8
289.21906	0.6
289.25278	0.6
303.26755	3.5
313.25409	1.0
331.26367	29.5
332.26508	0.6
367.24933	2.9
415.72073	0.6
423.31137	100.0
424.31467	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01871	0.8
55.05507	4.4
57.03438	1.9
57.07067	2.0
61.67838	0.5
65.03959	0.6
67.05511	6.8
69.07071	6.6
69.27267	2.4
69.27690	2.3
71.04999	0.9
71.08634	1.5
79.05502	3.9
79.05886	0.6
81.07068	9.9
83.04974	0.9
83.08619	3.2
85.06554	0.6
85.95287	0.5
91.05479	2.6
93.07072	6.2
95.04992	0.8
95.08617	8.9
96.96290	0.5
97.06546	1.5
97.10190	0.9
98.20815	1.4
99.08105	1.3
105.07036	3.8
107.08602	5.7
109.06526	9.6
109.10171	4.6
111.08094	1.7
116.90579	0.5
119.08590	4.2
121.06535	0.6
121.10165	3.0
122.07355	0.7
123.08078	34.1
123.11710	1.6
124.08400	0.5
131.08578	1.9
133.10147	3.2
135.08047	5.3
135.11696	2.0
137.09645	1.7
145.10182	2.4
147.11678	2.1
149.09613	2.2
149.13248	2.6
150.64902	0.6
157.10121	0.9
159.11737	1.8
161.13300	1.3
163.11214	0.8
165.12759	1.3
173.13330	0.8
177.12778	2.3
179.14334	25.8
187.14832	0.6
190.87848	0.5
193.15930	1.1
205.15926	1.1
233.19116	0.6
263.20175	1.0
275.20108	3.6
289.25327	1.4
293.21136	2.8
303.26859	3.0
313.24991	0.6
331.22296	1.2
331.26328	23.5
338.39581	0.5
349.27390	6.3
367.24963	2.1
369.17847	0.5
389.26407	0.7
423.31104	100.0
424.31552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.6
55.01869	4.6
55.05514	35.1
55.60191	2.3
56.96558	4.5
57.03437	3.8
57.07079	28.4
59.05002	5.8
61.02903	3.2
61.93038	2.9
63.76575	2.5
67.05502	6.6
69.03430	24.2
69.06730	3.2
69.07072	53.2
69.59605	15.6
71.04975	4.5
71.08632	21.2
73.06541	5.0
74.42847	2.5
79.05495	5.3
81.03429	19.1
81.07065	13.7
83.04951	4.5
83.08624	100.0
84.04516	18.4
85.02911	42.2
85.94514	2.2
87.00840	20.1
87.04458	2.9
88.12242	2.3
90.05534	4.9
91.05478	7.4
93.07038	6.9
95.04955	3.1
95.08629	11.4
97.02917	16.5
97.06503	2.7
97.10191	18.5
98.97606	3.4
99.04449	7.0
105.01873	25.5
105.07053	5.7
107.08569	8.6
109.02874	16.9
109.10136	5.2
111.04391	2.4
119.05003	3.2
119.08595	5.0
121.10149	5.1
123.11707	3.3
126.88784	2.9
127.03925	30.1
130.04993	9.9
131.04837	3.5
133.10127	4.7
135.11719	3.3
137.05946	7.1
139.14833	26.5
145.04961	8.2
145.10132	4.2
147.06490	3.0
147.11690	3.7
153.01862	15.2
157.10155	2.7
157.15894	51.9
159.02904	4.9
161.13380	2.9
171.02896	4.4
173.13213	3.2
175.07523	2.3
175.14839	3.3
197.09642	2.6
224.52130	2.4
231.05019	10.7
233.06706	5.5
241.11066	5.9
257.08139	16.6
259.12122	7.2
285.10257	2.4
341.12726	11.6
359.13818	5.4
396.25323	4.8
423.23813	31.8
423.36246	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01883	1.3
55.05522	8.1
56.01200	0.9
57.03424	3.8
57.07069	3.8
57.39245	0.7
59.04991	0.9
60.09729	0.8
61.02914	1.0
62.66815	0.8
67.05508	9.9
69.07066	11.5
71.04992	0.9
71.08633	1.4
71.55044	1.1
72.08160	1.9
79.05499	5.3
81.07063	15.0
83.04955	1.0
83.08637	4.4
87.04454	0.9
89.55700	0.8
91.05492	4.4
93.07052	8.1
95.04961	0.9
95.08615	12.1
97.06505	2.2
97.10178	2.5
104.18913	0.8
105.07036	6.6
107.08601	10.8
109.06517	9.6
109.10151	7.1
109.97318	0.9
110.45560	0.7
111.08105	1.5
113.00053	1.9
119.08584	7.9
121.10180	7.4
123.08073	43.0
123.11716	2.4
124.08430	1.0
128.14078	1.0
131.08568	2.3
133.10101	4.4
135.08044	7.7
135.11691	3.5
137.09596	2.4
137.13252	1.2
139.06624	0.9
145.10150	2.9
145.11186	0.8
147.11679	5.3
149.09639	2.1
149.13261	2.4
159.11705	2.6
161.13243	2.4
163.14810	0.9
165.12801	1.1
169.02618	1.7
173.13280	1.6
175.14752	1.8
177.12775	3.0
179.14319	19.4
187.14821	0.9
203.17995	1.1
205.15898	1.1
215.11446	1.6
233.19017	1.2
250.20778	0.8
253.12793	3.2
263.20160	1.4
271.14029	1.5
275.20059	4.1
276.14517	1.0
289.25320	1.0
293.21301	3.0
303.26843	2.7
311.25909	2.7
331.26318	28.3
349.27475	5.9
349.68692	1.0
365.10654	1.0
367.24957	2.3
405.30270	1.7
408.71890	0.8
423.31100	100.0
423.35614	4.6
424.31363	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2014
Annotation	CHEBI:59526
Peak:m/z	Relative Intensity
53.03933	2.7
53.52571	2.3
54.27712	2.2
55.01857	6.3
55.05500	5.3
56.58936	2.5
57.03429	8.2
57.07057	2.8
61.29118	2.2
66.15112	2.0
67.05497	5.8
68.99776	3.7
69.03434	89.6
69.07069	13.6
69.50652	5.5
69.51075	9.5
71.01347	2.8
73.02920	5.6
79.05506	4.8
81.03421	7.6
81.07063	13.2
83.04969	2.3
83.08611	8.2
85.02912	23.0
87.00842	30.4
87.04451	2.8
91.05488	9.8
93.07040	9.8
95.04970	6.8
95.08612	18.4
97.02894	44.2
97.06554	2.6
99.04436	3.1
103.03929	4.4
105.01867	12.6
105.07032	20.3
107.08605	25.1
109.02887	8.1
109.06538	5.7
109.10155	9.6
111.08065	5.4
113.02359	2.3
115.03930	12.9
117.07021	5.9
119.08593	71.8
121.06476	4.0
121.10149	27.4
123.08084	3.5
123.11714	2.3
127.03943	10.6
131.08546	8.2
133.06442	4.7
133.09111	3.7
133.10141	75.0
135.08055	5.2
135.11694	8.4
137.05952	4.4
137.09631	5.3
143.08562	5.8
145.04958	4.0
145.10147	14.7
147.08060	2.3
147.11710	14.3
149.09590	3.8
149.13260	4.9
157.10127	6.6
159.11702	8.8
161.09634	6.1
161.13242	9.5
163.07515	3.1
163.11119	2.7
163.14861	3.0
169.10085	2.8
171.11737	5.0
173.09743	2.1
173.13269	14.9
175.14844	100.0
177.12917	2.7
177.16394	60.5
177.89262	2.3
185.13275	6.2
187.14850	10.1
189.12714	2.4
189.16348	4.2
191.14328	5.0
193.15936	5.0
199.14783	3.7
201.03958	24.3
203.14299	11.5
205.15881	50.8
209.13290	2.6
211.16808	3.4
213.16417	2.7
215.14328	5.4
217.15858	5.3
219.17509	2.2
229.15677	4.0
235.16847	4.0
237.16325	3.9
241.15869	3.0
245.15466	6.1
247.17085	3.7
255.17451	8.6
259.17029	4.0
263.16342	6.4
265.15921	3.9
273.18518	4.0
283.16925	19.5
301.18030	18.1
310.61743	2.5
319.19031	8.8
337.19931	3.1
359.95920	2.5
361.20166	6.5
387.18100	23.6
405.19083	36.9
423.20087	61.9
423.25494	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	423.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
67.05515	1.7
69.26969	1.3
69.27389	4.3
70.06600	0.9
72.08157	0.6
72.10984	0.5
79.05500	1.4
81.07066	1.5
83.08616	0.7
91.05473	2.0
93.07050	0.7
103.05496	1.0
105.07022	1.7
109.10169	0.8
120.44854	0.6
121.02880	0.6
123.04436	1.4
129.07022	0.7
131.04945	1.3
133.10144	1.0
135.08031	3.3
136.06195	4.3
137.06017	2.5
147.04439	1.0
148.04771	0.7
149.06017	1.7
150.06386	1.1
151.96785	0.6
160.05222	0.6
160.75609	0.6
161.06004	1.7
164.07082	6.5
165.07442	3.3
173.05949	2.8
174.06340	1.7
175.07535	3.9
176.07930	2.1
185.04240	0.7
188.07974	0.7
202.09447	0.7
309.07278	1.5
314.18384	1.3
335.08911	0.8
337.06714	0.7
337.12601	3.8
361.12686	1.1
367.12347	0.6
379.13644	27.5
395.10623	0.9
405.09372	2.3
405.25049	1.1
422.25690	1.4
423.12723	100.0
423.25504	28.5
424.13150	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	423.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91685	0.2
58.13728	0.2
69.21843	1.5
69.22268	0.8
75.72340	0.2
86.52928	0.3
134.65082	0.3
261.13110	10.1
293.73819	0.3
335.35321	0.2
392.19577	0.3
423.18399	100.0
424.18729	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01873	13.0
55.05516	30.4
56.02199	1.5
56.05031	2.1
56.05853	6.2
58.99576	5.9
66.53220	1.1
70.06591	3.3
70.08898	5.5
72.04504	4.7
72.08146	2.5
73.02936	1.3
76.02217	3.2
79.10250	1.1
81.07056	1.8
83.06073	1.9
83.08146	1.9
83.08622	34.3
84.04509	19.8
84.08171	1.3
84.08955	16.3
85.04836	4.9
86.09689	2.2
86.99064	5.4
87.99371	1.2
90.05546	4.3
91.05446	1.2
98.09696	2.1
98.20865	1.2
99.05527	1.4
104.01705	17.9
105.02043	2.6
106.01250	1.3
116.01683	33.7
117.02077	8.6
119.30562	1.1
120.08134	1.7
120.84724	1.1
124.03951	2.1
129.06584	3.2
129.07391	2.6
130.04996	4.2
131.05350	1.7
134.05966	1.7
137.02348	1.8
142.03212	2.7
143.03539	1.9
158.02724	100.0
159.03081	52.3
159.08440	23.9
160.02318	3.4
160.08760	15.6
161.02600	1.3
161.05919	1.1
175.08736	1.8
176.03786	61.0
176.11064	2.9
177.04123	30.8
177.11346	1.7
185.16586	1.3
274.12939	1.9
275.12393	3.5
276.12640	31.3
277.12988	55.9
293.15311	15.0
294.15625	37.6
334.15189	8.2
339.04965	2.8
405.19403	2.1
423.20023	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	423.0899
Annotation	Mangiferin
Peak:m/z	Relative Intensity
55.61026	0.5
67.05495	0.6
69.03433	1.3
70.06596	0.9
70.18466	2.2
75.83182	0.5
81.03391	0.9
85.02908	1.0
86.09676	0.7
91.05464	0.7
93.16536	0.5
95.08600	0.8
95.97734	0.5
96.96848	0.5
98.97585	0.7
107.08634	0.6
111.35533	0.6
111.64414	0.5
116.01610	0.5
121.02882	0.8
127.00040	0.6
131.44624	0.5
136.06261	0.8
137.05966	0.9
158.02731	1.5
167.03201	1.0
174.02924	0.8
175.03694	4.1
176.03777	1.7
185.04301	1.2
211.04596	0.9
220.28090	0.5
220.72404	0.6
227.05240	3.2
239.04024	0.9
253.05705	0.7
271.04291	4.8
275.84891	0.5
277.59225	0.6
309.07489	1.9
337.09109	4.8
361.08774	0.9
377.10046	0.7
379.10028	34.8
380.10046	1.0
405.09573	1.4
423.09006	100.0
423.15866	4.6
424.09433	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	422.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.6
57.03444	1.2
57.07082	100.0
59.05007	26.2
59.44873	0.9
67.05494	1.4
69.07061	3.2
69.35106	7.3
71.08638	79.2
73.02923	28.4
83.08614	1.9
85.10190	70.5
87.04459	2.3
89.06049	1.4
93.07050	3.3
95.08623	1.9
96.08914	1.2
97.10178	2.2
99.11738	13.8
101.09689	1.6
101.34011	1.1
113.13265	4.5
117.09148	10.5
133.13321	1.2
141.16356	1.2
155.17960	9.3
175.09651	2.9
193.10710	1.8
213.22183	13.4
260.87708	1.1
271.26346	8.4
377.32590	2.7
404.35977	2.3
405.31705	1.4
422.37375	7.2
423.28058	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2539
Annotation	Leucostine
Peak:m/z	Relative Intensity
51.87093	0.3
55.01864	0.6
55.05502	1.3
56.05024	0.9
57.03426	1.1
65.03947	0.4
67.05506	4.0
69.07072	1.4
69.64237	2.1
70.06608	0.6
71.05013	0.5
79.05492	2.1
81.07060	5.3
83.08612	0.6
91.05481	3.7
93.07049	2.0
95.04990	0.5
95.08628	2.5
97.06563	0.5
103.05470	1.9
105.07044	3.3
107.08603	1.1
109.06519	0.7
109.10186	1.5
114.54979	0.3
115.05466	1.3
117.07041	2.2
117.25607	0.4
118.06551	0.8
119.04984	0.7
119.08608	0.4
119.44577	0.4
121.06480	0.4
123.04452	4.9
123.11715	0.9
128.06212	1.2
129.07016	4.4
130.04132	0.4
131.04924	4.4
131.08580	0.5
133.06499	0.8
133.10153	1.2
136.06181	4.9
137.05994	4.9
141.07019	0.9
143.04922	1.2
143.08574	1.5
144.05682	0.4
145.06485	1.9
146.06058	2.2
147.04427	3.4
147.08025	0.4
149.04791	0.8
149.05988	8.9
154.12302	0.6
155.08560	0.9
157.06516	4.5
159.07982	0.8
160.05251	1.2
161.05998	9.0
163.06335	0.4
163.07506	1.9
164.07079	37.7
165.07219	0.6
166.08653	1.6
168.13817	0.6
169.06519	0.8
171.08040	2.1
173.04816	0.3
173.05992	13.0
175.07559	19.9
177.09254	0.6
177.12599	0.4
181.06523	0.6
183.08076	2.3
185.09666	0.7
187.07573	5.5
189.05507	0.6
189.09149	2.7
197.09544	0.6
199.07549	1.9
201.09122	4.3
203.10617	0.6
213.09016	0.8
215.10674	1.0
225.09044	0.4
295.16977	0.5
297.88419	0.3
308.06332	0.5
313.17999	5.3
330.20627	0.9
331.18945	0.6
338.07278	0.4
348.21609	0.8
387.21863	0.5
394.10193	0.5
404.24283	3.7
405.22864	0.7
422.10019	2.2
422.25391	100.0
423.12418	0.6
423.25803	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49211	0.6
54.62555	0.6
55.26475	0.7
56.05052	0.7
56.96574	1.0
69.03435	0.6
71.03114	1.4
84.08129	0.6
85.02897	1.1
87.60066	0.5
91.05488	15.0
95.13591	0.6
97.02901	1.4
98.97576	1.8
119.04951	11.6
120.44124	0.6
121.06496	0.7
123.04417	1.5
130.95183	0.6
137.05986	100.0
154.08636	47.3
171.01161	1.6
178.04932	0.9
219.86671	0.8
232.04564	0.6
279.56012	0.6
291.09320	0.8
303.10242	1.3
422.19220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01864	0.8
55.05500	2.0
56.05031	0.8
57.03432	1.0
67.05499	5.0
69.03429	2.2
69.07070	5.3
71.06747	0.6
73.02918	0.5
79.05503	2.3
81.03409	1.6
81.07061	5.2
83.04990	0.5
83.08614	0.6
85.02911	5.3
85.06548	0.5
87.00834	2.5
87.85098	0.4
91.05486	4.4
93.07045	2.5
95.08605	3.2
97.02892	1.6
97.06545	0.9
98.19502	0.4
98.97596	1.1
103.05498	2.1
105.01885	2.9
105.02467	0.5
105.07037	2.7
106.07302	0.5
107.08613	1.6
109.02859	1.4
109.10165	1.2
111.11725	4.2
115.05450	1.3
117.07029	1.9
118.06570	1.0
119.04952	0.9
119.08598	1.2
121.06506	0.7
121.10150	1.2
123.04446	4.5
127.03917	2.8
128.06247	1.3
129.07011	4.1
131.04944	4.4
131.08563	0.9
133.06485	0.9
133.10133	1.5
136.06194	14.1
137.05971	5.0
139.11172	4.9
141.06946	0.9
143.04956	1.3
143.08624	2.4
145.04979	1.1
145.06490	1.9
146.06041	1.5
147.04430	3.0
147.08047	0.7
149.04797	0.9
149.05966	9.8
153.01874	0.5
154.12282	0.5
155.08585	1.4
157.06482	4.4
157.12253	7.0
158.99654	0.6
159.08044	0.6
160.05235	1.1
161.05986	9.3
162.06732	0.5
163.07576	1.4
164.07072	38.5
165.05486	0.5
165.07179	0.6
166.08627	1.2
168.13866	1.0
169.06456	0.9
171.08110	2.0
173.05986	18.7
175.06027	1.0
175.07549	18.7
181.06441	0.6
183.08092	3.2
185.06076	0.4
185.09598	0.5
187.07573	5.8
189.09102	2.1
197.09685	1.1
199.07561	2.1
201.09143	5.1
213.09137	1.2
215.10680	1.0
231.04977	1.2
239.90610	0.5
244.99852	0.5
249.06137	0.7
254.04985	0.5
285.18414	0.8
295.16962	0.6
313.17947	6.8
330.19455	1.7
347.71637	0.4
351.14334	0.5
404.23849	1.5
422.25360	100.0
423.25705	2.1
443.32532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1957
Annotation	Dehydrodecodine
Peak:m/z	Relative Intensity
53.10186	0.7
55.01875	5.9
55.05513	27.7
55.17126	0.7
56.05038	0.9
58.99579	4.2
60.01465	0.7
69.45206	5.6
70.06612	0.8
72.04511	2.8
73.01152	0.9
76.02225	3.0
79.05508	1.0
80.58068	0.9
81.07048	1.3
83.06117	2.6
83.08620	26.8
84.04506	15.5
86.99060	5.1
88.02200	1.5
90.05567	3.8
93.07507	0.8
98.06026	0.9
98.09714	1.0
98.21533	1.4
101.09641	1.8
104.01692	16.0
105.00078	1.0
114.95760	0.9
116.01687	30.9
124.03920	1.4
126.05505	1.5
128.58888	0.8
129.06607	3.5
130.03169	0.7
130.05020	3.4
141.06554	0.9
142.03226	2.8
142.76256	0.9
144.06570	2.5
158.02722	100.0
159.08421	20.9
159.52335	0.7
160.02336	0.9
176.03777	65.7
176.11115	1.9
181.06111	1.1
187.07834	0.9
199.85277	0.8
205.08994	0.9
239.57057	0.7
250.61421	0.8
258.11554	1.9
273.12595	1.8
274.12973	1.0
275.12344	7.1
276.12653	67.3
293.15302	36.9
315.13757	1.0
333.14764	13.6
399.39450	0.8
404.18240	2.6
422.09833	1.8
422.19772	6.4
427.72656	0.8
446.71436	1.0
449.74118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	0.6
53.03944	2.5
57.03427	1.5
58.42255	0.5
69.03433	9.4
70.35930	1.5
70.36280	0.9
71.04995	0.9
71.99146	0.6
78.03457	15.7
80.05026	2.6
81.02982	1.1
81.03426	15.9
82.45739	0.5
85.02913	7.3
91.05486	11.1
92.17654	0.6
96.04490	2.6
97.02898	4.9
99.04463	3.8
106.02922	58.0
109.02884	10.0
119.04949	6.6
121.02889	0.8
124.03961	100.0
125.04222	0.6
127.03923	6.5
137.05988	34.2
143.39288	0.6
152.79526	0.5
166.04956	1.0
174.05531	0.8
196.06198	0.8
226.07196	1.0
232.05898	1.4
250.04413	0.7
250.05188	0.4
250.07109	23.7
268.08182	43.8
279.29410	0.6
285.20789	0.6
308.06226	1.2
334.88644	0.7
394.09839	0.6
404.13406	26.4
405.09531	2.1
422.09454	4.3
422.14450	36.4
423.10400	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01879	0.4
55.05508	0.5
55.60048	0.4
56.96565	0.6
57.03426	1.1
61.02939	1.9
69.03435	3.8
69.68444	1.5
69.68853	0.8
70.06581	0.7
71.04991	0.4
73.02913	1.1
73.06556	0.4
74.00665	0.7
76.56514	0.4
81.03430	1.5
84.08137	0.7
85.02917	9.2
85.08440	0.4
90.09247	0.4
91.03945	0.6
91.05463	0.6
97.02915	3.4
98.21468	0.6
98.97594	2.5
99.04440	0.8
100.02216	0.5
101.00819	0.6
109.02888	1.1
110.97566	0.7
115.02170	2.0
119.01867	0.8
120.01165	0.5
121.06493	1.0
123.04439	20.7
127.03928	2.5
128.98657	0.7
131.01923	0.5
136.06145	0.6
137.05988	3.2
143.01636	18.1
145.01744	0.5
145.04984	2.2
146.02640	0.8
146.99666	0.8
152.07071	5.2
153.04108	0.8
154.08624	0.9
155.04701	1.4
158.99675	0.9
161.02931	1.0
164.07018	0.8
167.08177	0.7
171.01125	100.0
172.01492	1.0
173.02963	0.5
185.06650	0.6
203.03934	0.6
205.00311	0.7
216.94112	0.4
219.01785	0.5
220.04105	0.8
220.06180	0.8
227.00978	0.4
227.06853	0.5
229.04727	1.0
236.07430	0.5
237.02780	0.4
243.03273	0.7
255.06322	0.4
260.05899	18.8
265.07651	1.2
272.10153	0.8
275.09811	0.5
293.10645	0.9
309.08493	0.6
386.09073	0.7
400.02505	0.4
422.14502	0.7
422.22913	1.0
423.13522	0.4
429.10593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51107	0.2
65.03934	1.0
67.05493	0.8
69.07053	0.3
70.20995	0.6
70.21396	0.6
74.23144	0.2
79.05517	0.4
81.03450	0.3
81.07074	0.5
86.09698	1.5
91.05470	0.6
93.07033	0.5
95.04971	7.2
95.08591	0.3
104.99311	0.3
105.06960	0.3
108.02103	1.2
108.96830	0.3
121.06536	0.4
123.04411	1.2
124.99984	0.8
125.05978	0.3
135.04433	0.6
137.05954	1.2
140.23999	0.3
141.05495	0.3
151.03908	100.0
152.04312	1.0
157.10081	0.3
163.03928	2.3
169.04930	0.5
169.06299	0.4
181.06444	0.3
182.07300	1.2
183.04343	0.4
183.08015	0.7
184.07347	5.3
184.08943	0.3
197.05992	0.3
198.06737	1.8
200.08383	1.4
210.06813	2.7
211.07535	1.9
213.09180	0.3
223.03873	0.4
225.09113	3.2
226.06252	3.2
228.07898	1.8
238.06282	1.5
241.08620	5.9
242.05807	0.6
242.09186	0.3
243.10185	25.0
244.10410	0.4
253.08521	0.9
254.05716	0.8
266.05701	0.7
269.08099	6.0
271.09656	31.7
282.05127	1.0
297.07584	19.2
338.96988	0.3
403.11865	2.6
421.12863	3.2
440.61865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94818	0.4
56.96554	0.4
57.07082	14.5
67.05483	1.0
69.07059	0.9
70.06583	0.4
71.57140	0.6
79.05456	0.6
81.07053	1.3
85.02906	0.4
91.05507	0.8
93.07045	0.8
95.04965	0.3
95.08595	1.0
98.97573	0.4
105.07031	0.5
107.08619	0.5
119.08604	0.6
125.07116	2.4
126.05516	2.5
133.10049	0.4
149.02345	1.5
157.33781	0.4
184.18225	0.3
193.05037	1.3
208.14474	0.8
209.12846	5.9
210.11346	0.8
213.08244	0.4
218.12904	2.6
219.11282	0.6
228.05174	0.3
239.78123	0.3
260.15259	0.5
267.67697	0.4
275.17606	4.3
292.20206	4.2
293.18637	5.8
302.18582	9.1
338.96750	0.5
345.14465	0.6
346.15161	1.3
358.24783	1.2
361.17426	0.6
376.25955	100.0
377.22064	0.5
377.26257	2.3
394.26923	2.4
403.18933	0.5
421.19321	0.7
421.25980	0.8
421.31552	6.9
422.28925	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42961	2.8
56.96563	2.7
58.99851	3.5
61.02895	3.1
69.03439	6.6
71.53934	3.3
76.81895	2.4
81.67041	2.5
82.99846	4.1
85.02924	10.9
97.02882	3.0
97.86636	2.1
98.97582	5.7
99.02962	4.9
101.00877	36.7
103.02428	6.6
108.72842	2.3
111.69552	2.3
113.00881	5.2
115.02428	9.2
117.03997	25.0
119.01922	65.3
127.02406	17.5
127.03924	5.2
129.03952	7.4
131.01907	9.5
133.03484	19.2
135.05037	13.3
137.02972	8.5
143.01920	13.1
144.99881	11.9
145.03476	100.0
147.01408	8.8
147.05037	12.0
155.01984	3.5
157.03476	9.5
159.01425	4.8
159.05034	23.1
161.02991	17.6
163.04485	16.3
168.99812	4.1
169.03461	38.4
171.01384	20.6
172.97839	2.6
172.99329	7.5
173.02972	8.6
174.40797	2.7
175.00844	3.8
175.04546	5.8
177.02487	5.5
177.06111	3.9
185.02945	11.9
185.53447	2.1
187.00941	12.0
187.04530	56.7
189.02469	40.0
191.00464	5.6
195.01401	20.3
196.99327	5.1
197.02988	7.9
199.00830	12.9
199.04546	9.4
201.02437	3.7
203.03886	5.7
205.01927	5.0
207.03519	9.1
211.01028	2.4
211.04520	3.4
213.02454	46.6
213.82011	2.1
215.00362	10.6
215.04047	6.1
217.01955	16.7
217.05582	8.7
219.03519	5.1
223.00990	2.5
225.02490	4.4
227.04051	5.6
229.01990	8.4
231.03548	25.0
233.01595	4.4
239.00325	13.9
241.02055	11.5
243.03523	5.0
245.05090	10.4
247.03014	6.6
251.02547	7.5
253.02159	3.0
255.03391	4.4
257.01401	13.3
257.05075	7.2
259.02994	4.3
261.04724	5.0
265.04102	4.0
266.99670	5.9
271.03021	3.8
273.04572	8.1
275.02524	24.3
281.01721	2.6
285.01007	4.4
285.04401	2.6
287.02512	5.1
293.03958	2.9
299.02487	8.3
301.00430	22.3
301.04053	11.0
303.02170	3.9
303.05688	3.1
305.03549	3.8
315.01981	4.6
315.05545	10.7
317.03561	10.4
328.99820	7.9
329.03491	3.5
333.02924	9.7
333.06699	5.7
343.01645	4.9
345.03073	3.3
359.04657	5.3
361.02512	39.2
373.02539	4.4
391.03632	7.0
403.03470	6.5
421.03922	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53758	2.0
63.62017	1.8
67.97164	2.1
69.03421	4.5
70.88515	3.3
70.88863	2.8
85.02892	5.0
91.05488	3.2
93.34795	2.3
94.10249	2.3
94.93028	5.5
96.92791	2.9
112.89509	2.3
124.03943	6.9
127.03896	4.7
136.94040	2.1
137.05978	4.0
138.93816	9.2
143.01880	4.1
145.03430	3.6
168.94893	5.7
185.02927	2.5
185.24098	2.2
198.95917	2.4
225.84396	2.1
232.90067	4.4
248.89622	9.1
361.02130	2.2
379.39621	2.0
421.03696	100.0
421.11472	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	420.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05977	1.1
51.62300	1.3
51.94727	1.2
57.03430	4.4
57.07078	100.0
58.07422	1.7
59.05004	30.0
59.42168	1.3
69.07065	3.3
70.11281	5.9
71.08634	69.7
75.04466	2.0
76.29871	1.2
81.09852	1.8
81.10319	1.3
83.08636	1.8
85.10186	65.5
97.06533	5.7
97.10142	1.5
99.11726	12.9
101.09634	2.2
101.45840	1.2
105.22141	1.2
113.13289	4.9
115.07575	26.7
117.09131	15.5
154.62820	1.3
155.17961	7.5
165.86043	1.1
169.56361	1.3
171.13817	3.1
173.11777	1.8
191.12784	3.3
213.22127	14.8
215.90137	1.4
254.24840	1.6
271.26340	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	420.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01861	7.7
55.05520	21.0
56.96566	8.8
57.03421	13.2
59.05005	4.3
62.08147	3.5
67.05506	50.1
69.03418	8.0
69.07072	20.0
69.89320	20.7
73.02896	5.3
79.05502	30.7
81.03412	10.5
81.07058	71.4
82.07428	4.8
83.04982	9.3
83.08611	16.8
85.02914	42.4
85.06553	4.2
89.06020	8.3
91.05473	23.5
93.07052	40.0
95.04960	12.3
95.08622	27.1
97.02909	5.3
97.06508	17.6
97.10146	3.9
98.97569	17.0
99.08010	4.5
105.07042	22.1
106.06561	6.1
107.04934	8.4
107.08607	28.6
109.06538	7.7
109.10162	15.2
111.08101	7.5
116.07242	3.9
117.06995	12.9
118.06531	9.7
119.08553	13.1
120.08078	4.1
121.02889	5.7
121.06467	4.7
121.10191	18.1
123.08091	4.4
124.03938	3.9
127.03899	5.5
131.07359	4.1
131.08534	12.5
133.10133	12.5
135.11713	6.9
137.05952	13.3
143.21266	3.9
145.10139	9.4
146.09651	4.7
147.11661	5.5
149.09674	6.0
149.13245	15.3
151.11133	5.4
159.11668	17.1
160.11198	7.3
163.11151	4.0
164.07146	6.3
167.07059	5.6
177.07802	4.1
177.12761	12.9
189.09105	4.1
195.13818	7.1
206.11723	11.0
219.01936	6.4
223.13275	7.6
229.14282	11.0
237.02908	4.2
241.14368	14.4
244.20668	9.1
257.19162	7.8
269.14545	5.2
269.17487	78.1
272.20081	50.7
275.19995	24.2
290.21115	15.3
293.20975	4.8
307.28098	4.4
349.23813	27.8
367.24854	38.5
386.82574	3.8
392.20499	5.8
402.22867	52.8
411.29672	3.9
420.15201	6.2
420.23843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01886	0.5
55.05508	2.0
56.96577	1.1
57.03445	0.7
57.07070	2.2
61.02917	0.6
63.49203	0.6
65.03941	0.5
67.05511	4.1
69.03442	2.9
69.07077	3.8
69.54511	3.6
71.05006	0.7
72.46309	0.4
73.02937	0.9
73.96226	0.5
79.05492	7.2
81.03442	2.7
81.07063	100.0
82.07369	0.5
85.02913	7.3
87.00837	2.9
91.05483	1.8
93.07054	1.2
95.04931	0.5
95.08614	17.4
97.02884	4.9
98.97570	2.3
99.04494	1.1
105.01881	6.1
105.07041	0.8
109.02888	2.4
109.10152	2.3
110.10552	0.5
119.08607	0.5
127.03932	9.2
137.06004	0.7
137.13268	24.5
139.29018	0.5
145.04980	5.0
154.15999	0.7
158.99707	1.2
159.02934	1.7
159.56763	0.4
177.00629	0.5
231.05066	2.8
249.06146	2.0
264.14880	0.8
264.65164	1.7
265.15497	0.6
272.20166	0.7
284.09842	0.8
342.20654	0.7
402.20352	0.5
420.23758	0.7
420.31400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01861	7.7
55.05520	21.0
56.96566	8.8
57.03421	13.2
59.05005	4.3
62.08147	3.5
67.05506	50.1
69.03418	8.0
69.07072	20.0
69.89320	20.7
73.02896	5.3
79.05502	30.7
81.03412	10.5
81.07058	71.4
82.07428	4.8
83.04982	9.3
83.08611	16.8
85.02914	42.4
85.06553	4.2
89.06020	8.3
91.05473	23.5
93.07052	40.0
95.04960	12.3
95.08622	27.1
97.02909	5.3
97.06508	17.6
97.10146	3.9
98.97569	17.0
99.08010	4.5
105.07042	22.1
106.06561	6.1
107.04934	8.4
107.08607	28.6
109.06538	7.7
109.10162	15.2
111.08101	7.5
116.07242	3.9
117.06995	12.9
118.06531	9.7
119.08553	13.1
120.08078	4.1
121.02889	5.7
121.06467	4.7
121.10191	18.1
123.08091	4.4
124.03938	3.9
127.03899	5.5
131.07359	4.1
131.08534	12.5
133.10133	12.5
135.11713	6.9
137.05952	13.3
143.21266	3.9
145.10139	9.4
146.09651	4.7
147.11661	5.5
149.09674	6.0
149.13245	15.3
151.11133	5.4
159.11668	17.1
160.11198	7.3
163.11151	4.0
164.07146	6.3
167.07059	5.6
177.07802	4.1
177.12761	12.9
189.09105	4.1
195.13818	7.1
206.11723	11.0
219.01936	6.4
223.13275	7.6
229.14282	11.0
237.02908	4.2
241.14368	14.4
244.20668	9.1
257.19162	7.8
269.14545	5.2
269.17487	78.1
272.20081	50.7
275.19995	24.2
290.21115	15.3
293.20975	4.8
307.28098	4.4
349.23813	27.8
367.24854	38.5
386.82574	3.8
392.20499	5.8
402.22867	52.8
411.29672	3.9
420.15201	6.2
420.23843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01876	0.7
55.05515	0.6
57.03190	0.3
57.03449	0.7
57.07079	2.0
61.02914	0.7
65.03926	0.5
67.05513	4.0
69.03433	2.8
69.07071	4.4
70.20750	1.0
70.29208	0.2
71.04958	0.4
73.02932	0.5
79.05495	7.3
81.03420	1.9
81.07062	100.0
81.26209	0.3
82.07390	0.3
85.02908	6.9
85.66877	0.3
87.00832	3.4
93.07063	0.7
95.08612	19.4
97.02898	5.7
98.21384	0.4
99.04478	1.0
105.01866	6.9
107.08608	0.3
109.02905	2.2
109.10165	0.9
127.03926	7.6
129.01869	0.3
129.27869	0.3
137.13263	20.4
145.04961	5.9
145.06015	0.5
150.85287	0.3
154.15894	0.5
159.02893	1.9
182.21486	0.3
213.03844	0.3
217.77983	0.3
218.87161	0.3
231.05032	3.5
248.07677	0.4
249.06070	1.2
284.09915	0.4
313.46530	0.3
420.30911	0.3
440.27576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84862	0.3
51.77860	0.2
53.03947	1.5
55.01876	0.3
55.05505	1.0
56.96570	0.5
57.03448	0.4
57.07074	0.8
59.54919	0.3
61.02938	0.3
65.03934	0.6
67.05507	3.0
69.03422	1.5
69.07066	1.7
69.67996	1.8
71.08616	0.3
73.02905	0.5
79.05498	7.3
80.05809	0.4
81.03420	1.3
81.07060	100.0
82.07381	0.6
83.08604	0.4
85.02908	4.1
87.00836	1.1
91.05490	0.8
93.07066	1.1
95.08611	12.8
97.02893	2.1
98.97606	0.7
99.04430	0.4
105.01869	2.3
105.07045	0.7
107.08638	0.3
108.04499	0.4
109.02906	0.9
109.10181	1.1
116.98667	0.4
117.01869	0.3
119.08597	0.6
122.06036	1.0
127.03922	3.4
137.05975	0.6
137.13258	20.5
145.04948	1.7
151.03845	0.4
158.99713	0.3
159.02942	0.7
161.06114	0.3
211.85649	0.3
231.05078	1.0
248.07455	0.3
249.06084	0.5
272.20206	0.9
297.16812	0.6
420.31189	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.0
56.96559	2.7
57.03432	2.5
58.06606	14.3
60.04515	2.2
61.02903	1.2
63.01211	1.4
69.03431	6.5
70.06582	2.0
71.55742	1.6
72.08160	1.6
73.02905	1.9
73.88033	1.1
80.16672	1.0
81.03426	3.1
84.08146	1.9
85.02906	11.6
91.04970	1.5
91.05492	17.6
95.04974	4.4
97.02891	4.5
98.97607	8.9
99.04465	1.3
106.02930	1.6
106.05040	2.0
109.02859	2.2
110.07186	1.6
115.03996	1.3
116.98613	2.0
119.04947	14.5
121.06510	4.6
123.04437	3.2
124.03972	8.9
126.05515	1.3
127.03932	4.4
128.98674	1.4
136.05128	3.1
136.06175	2.5
137.06003	11.5
145.04941	2.8
151.07556	100.0
154.08644	1.3
155.04677	3.0
158.99649	4.2
161.03055	1.5
168.10222	30.5
170.99565	1.2
173.06581	1.5
177.00775	1.8
209.10783	1.3
210.11549	1.4
219.01781	2.3
223.12271	1.5
236.07288	2.4
237.02840	4.3
244.06685	1.3
260.05728	1.1
263.09125	1.4
268.08176	6.8
291.07407	2.4
309.08527	4.7
402.15344	1.3
420.16409	15.0
421.12711	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
52.59856	0.5
53.03941	2.5
57.03436	1.5
65.55084	0.5
69.03072	0.8
69.03434	11.1
69.44908	1.6
69.45333	1.4
70.22383	0.4
71.04993	1.1
73.02921	0.7
77.73947	0.4
78.03458	11.3
79.04243	0.4
80.05035	2.3
81.03426	11.9
85.02915	6.5
87.04483	0.9
96.04499	1.9
97.02912	3.2
99.04454	3.5
106.02924	41.9
109.02890	8.5
117.05508	2.0
124.03961	100.0
126.63882	0.4
127.03926	4.8
153.07539	0.7
166.05034	1.4
178.16159	0.5
180.41133	0.4
202.04994	0.5
232.06068	2.1
237.81740	0.5
250.07118	12.6
268.08176	69.1
269.08609	0.7
420.15063	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	420.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10484	0.6
55.01867	3.2
55.05502	1.0
56.05039	5.1
57.03434	1.1
57.04649	0.5
58.99596	3.9
68.05025	1.0
69.38809	3.1
69.39218	1.3
70.06581	0.6
72.04515	1.5
73.01148	0.9
74.00651	1.0
76.02237	8.9
79.05499	2.0
81.07064	10.6
83.06097	0.8
84.04510	14.0
84.08151	0.7
85.01124	2.2
86.00655	2.4
86.99052	2.8
87.02687	2.4
88.02200	1.2
90.05558	4.3
92.39150	0.5
94.06599	0.7
95.08618	1.7
97.01070	0.8
97.06559	1.1
98.02427	1.0
98.06071	1.0
98.09692	10.7
99.08097	1.4
104.01695	3.8
105.06954	0.7
109.07621	0.5
110.09680	2.2
113.04234	3.6
114.05506	0.6
115.05802	1.1
116.01682	9.9
116.07105	1.5
120.08098	1.0
122.09658	1.7
123.10505	0.7
125.12196	0.6
126.05541	7.0
127.05770	0.8
129.06592	1.8
129.07439	0.7
130.05019	2.6
130.06853	1.7
139.05757	1.6
141.06595	0.9
142.03212	1.6
144.06589	1.9
144.10254	0.9
156.08440	13.4
157.06802	4.4
158.02728	23.2
159.07603	1.0
170.11769	6.4
174.09508	7.1
175.05397	0.7
176.03789	6.2
185.03815	0.8
187.05357	0.9
193.06430	5.5
210.11241	1.6
213.10600	0.7
215.04852	1.2
230.08434	3.7
233.06024	1.1
239.52583	0.6
241.06580	0.6
255.11583	1.4
256.10150	0.6
273.12686	100.0
274.11102	1.9
285.12653	1.4
291.13855	1.0
313.12122	3.0
331.13089	3.5
376.13150	1.0
402.16833	1.9
403.28107	0.7
420.18100	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	420.1443
Annotation	Jadomycin A
Peak:m/z	Relative Intensity
55.01868	0.5
57.03447	0.4
58.06583	0.4
61.02916	0.4
65.03924	0.6
67.16000	0.3
69.03431	1.5
69.82178	0.7
69.82574	1.0
70.06593	0.8
72.08148	0.3
79.05492	1.0
81.03410	0.9
81.07041	0.9
84.04490	0.4
84.08145	0.8
85.02912	3.1
86.09686	1.1
87.00837	0.6
91.05490	1.9
97.02894	1.9
98.97537	0.4
99.04453	0.7
100.83514	0.3
103.05479	0.4
104.04973	0.4
105.07052	0.5
107.04971	1.8
109.02881	0.7
109.06551	0.5
117.07049	0.5
118.06548	0.7
119.04924	0.9
122.06032	0.7
123.04430	1.3
126.05520	0.4
127.03932	2.9
131.04929	0.6
132.04454	0.4
134.06017	0.7
135.04417	0.5
137.05986	27.9
138.05505	3.3
138.06409	0.5
145.04955	0.9
145.06503	0.6
146.06039	1.3
147.04436	3.1
148.03923	1.0
148.05084	0.4
149.04680	0.5
149.05966	0.5
150.05473	0.5
151.03998	0.4
151.07478	0.7
152.07065	2.3
158.02716	0.4
161.05916	0.4
162.05521	3.6
164.07054	2.5
167.11792	0.4
177.09158	0.5
181.66620	0.3
194.11778	1.4
210.06894	0.3
211.07587	0.4
220.07631	0.4
221.07968	0.5
224.07010	0.5
231.04970	0.7
236.07040	1.8
238.08592	2.1
241.08751	0.7
250.08699	0.9
258.11276	5.9
264.06656	0.9
265.07343	0.7
266.05420	0.4
266.08154	3.5
267.09149	0.4
268.09653	0.3
269.06866	0.5
270.07599	0.9
272.09225	0.8
273.12631	0.8
278.08221	0.9
281.06891	0.9
282.07614	6.1
283.08386	4.6
284.09183	7.4
294.07352	0.3
296.09161	6.6
297.09979	0.6
343.69852	0.5
344.20111	0.5
375.08969	0.5
402.13861	0.5
405.11987	0.4
418.12881	0.9
420.14426	100.0
421.09747	0.5
421.14655	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	419.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72605	0.3
55.01869	0.8
57.07069	0.7
57.40701	0.4
69.07076	0.5
69.33181	1.5
69.33619	1.4
71.08631	0.5
73.25578	0.3
76.02083	0.3
80.57429	0.3
85.10163	0.3
98.21574	0.7
99.00799	0.6
99.04459	2.9
111.04443	2.8
113.02361	0.3
125.05997	10.8
138.53140	0.3
141.05486	4.7
153.05472	100.0
154.05789	0.5
164.13470	0.4
167.07095	0.5
419.35223	36.9
420.35611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	2.6
69.29031	9.3
72.59956	1.1
74.65660	1.0
81.03411	1.6
85.02908	2.5
97.02895	4.6
98.97575	3.8
101.00880	10.0
102.32893	1.3
109.02877	2.3
113.00862	5.0
115.02483	1.7
115.88094	1.2
116.98644	1.5
119.01927	7.4
127.02444	1.2
131.01888	7.1
133.03481	1.8
143.01900	14.2
145.03432	5.5
153.46530	1.1
155.01901	18.2
157.03458	4.1
158.97260	2.6
161.02980	12.8
167.01932	1.6
171.01471	1.6
173.02980	16.5
175.00876	9.9
180.95978	1.3
185.02982	8.7
196.98830	1.2
199.00999	1.5
203.04039	4.4
210.96977	1.3
212.14870	1.2
214.96527	2.6
214.99774	2.1
216.95999	1.9
216.98717	1.4
217.01979	13.4
219.02017	1.8
222.97031	4.7
228.98119	16.3
229.01868	2.9
234.97034	3.4
235.03035	3.7
238.96523	4.0
240.98206	10.4
245.05090	6.7
247.02864	2.8
252.98105	20.3
256.97623	16.9
259.03061	9.0
263.06064	2.2
264.98111	5.1
266.99738	2.9
270.99170	100.0
271.99390	3.1
276.98035	3.8
277.04059	3.7
278.99731	9.5
280.97635	17.4
282.99353	2.0
288.97995	3.7
292.97601	4.2
294.99176	40.0
295.99307	2.1
298.98413	3.6
303.01355	3.6
304.01987	3.2
304.97589	2.6
306.99115	7.9
309.00702	3.9
310.98776	2.9
313.00165	23.1
314.00375	1.9
318.00473	2.1
318.99170	12.1
319.05115	3.3
319.99380	2.1
321.00644	6.4
322.98587	3.0
325.00150	1.5
329.99902	1.5
337.00189	13.4
351.00714	1.5
355.01050	2.4
356.41486	1.3
360.04529	5.4
361.00381	1.5
361.04959	1.5
379.01309	8.4
379.07095	2.4
397.02286	69.8
397.08163	21.5
398.02554	1.9
415.03528	89.7
415.09219	15.0
416.03516	4.5
420.03824	2.3
438.04895	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	419.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00395	0.5
51.02377	1.2
53.03949	4.1
57.01761	0.6
69.92071	2.6
77.03919	1.3
86.68768	0.7
91.05489	12.2
93.05759	1.0
93.07047	15.1
94.07655	0.6
95.04966	2.2
98.21427	1.1
103.05475	12.9
105.04517	1.5
106.06554	3.2
107.04992	1.5
108.08131	0.8
117.05714	0.7
120.08103	1.2
121.06506	100.0
130.06528	16.1
136.07585	2.5
167.07242	1.0
168.08153	0.9
170.09604	0.9
180.08078	2.4
182.09714	0.9
191.07300	1.8
193.07648	0.8
194.09662	4.9
195.09061	1.0
196.11287	1.4
204.08159	1.8
205.08897	0.8
206.07991	1.0
206.09851	5.1
207.09146	8.2
208.09650	3.5
208.11572	1.1
209.10638	0.7
214.68477	0.6
219.09138	0.7
220.09973	1.4
221.10741	18.2
222.11507	8.0
223.12308	21.7
235.12379	1.6
237.13776	0.7
239.11850	2.1
249.10251	8.3
253.13350	3.5
254.10513	2.2
267.11285	28.7
268.12057	2.7
281.12946	1.4
285.12259	2.9
291.14929	2.5
299.13898	45.9
300.14093	0.9
333.46841	0.7
343.18042	18.0
344.18741	1.0
375.20605	4.5
381.15344	0.7
387.17206	3.2
419.19666	66.7
420.19907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.0
54.95908	2.1
55.01867	8.1
55.05513	4.3
57.03423	7.3
57.07082	21.1
59.05010	11.9
61.02925	6.6
67.05494	8.5
68.99784	5.1
69.03435	38.5
69.07076	14.5
70.73290	2.5
70.73626	4.6
71.04987	10.2
73.02917	9.3
79.05476	3.4
81.03416	42.7
81.07053	6.6
83.04987	2.2
83.08619	5.4
85.02908	67.7
85.06551	11.4
87.00838	29.5
87.04459	2.9
91.03953	3.2
93.07036	7.0
95.04989	3.7
95.08613	62.6
97.02897	22.3
97.06548	7.5
99.04449	13.0
99.08098	14.2
105.01871	20.7
105.07038	2.8
107.08580	9.5
109.02882	38.3
109.06533	10.5
109.10150	16.0
111.08075	7.4
111.11719	4.7
112.13886	1.9
113.09654	71.4
114.52924	2.1
115.03950	4.9
116.46666	2.3
117.01853	4.8
119.08596	3.0
121.06535	2.2
127.02972	3.0
127.03923	54.4
127.11171	8.9
129.01843	4.9
135.11705	19.1
137.02345	7.1
137.05994	2.9
137.13248	11.7
145.04953	21.1
147.02899	3.2
153.12752	100.0
155.14311	33.5
159.02888	23.4
171.13789	26.1
177.12729	5.0
183.08130	4.9
211.07613	3.3
213.03914	3.1
213.14931	2.7
231.05005	12.4
249.05891	2.5
257.08047	5.5
299.05685	10.6
300.06213	5.7
313.07001	5.4
329.06479	13.2
353.06628	4.5
365.06717	3.2
383.07709	11.0
401.08633	6.3
402.19125	4.1
408.53232	2.1
419.09909	20.9
419.18149	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	419.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58030	0.8
53.70696	0.7
56.96297	1.3
56.96566	24.5
67.05514	1.4
69.07036	0.7
71.55186	1.2
71.95267	2.3
79.05491	0.8
80.25224	0.8
81.03411	1.0
81.07037	1.1
84.96037	8.5
85.02898	1.2
97.96802	1.4
98.97586	100.0
102.97045	1.5
105.07011	1.2
110.97572	20.3
110.98318	1.2
112.99129	1.5
116.98624	39.8
124.99102	3.2
126.97048	1.3
128.98601	19.9
131.00168	1.4
134.99666	11.4
140.00197	6.2
140.98592	3.6
143.00179	9.5
144.98122	2.3
146.99637	7.1
150.92833	0.7
152.00194	2.4
152.98610	8.1
155.85144	0.7
158.01289	2.2
158.99664	18.7
161.01236	6.8
162.99129	2.1
170.01349	1.3
170.99672	11.8
173.01224	0.9
177.00714	18.8
177.02202	1.6
179.02310	1.1
182.99701	3.1
184.02786	1.1
189.00735	8.1
195.01797	1.1
200.02280	2.3
201.00687	11.0
207.01869	1.2
212.02299	1.9
219.01772	20.8
224.02299	1.5
226.06183	1.6
231.12735	0.9
237.02809	15.7
242.03337	2.2
257.14276	5.8
260.04337	1.4
261.02777	1.4
269.08093	3.4
269.14276	1.3
275.15280	2.1
279.04047	1.8
284.57620	0.9
287.15005	1.0
299.15344	1.1
359.17407	28.4
376.06216	0.8
377.18494	16.4
395.19611	1.0
400.19879	5.9
419.10995	2.9
419.19543	87.0
420.19815	1.3
437.20438	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	419.0975
Annotation	8-C-alpha-L-Arabinosylluteolin
Peak:m/z	Relative Intensity
51.25889	0.6
53.03900	0.7
55.01855	2.0
57.03399	0.8
57.53209	0.5
61.02890	0.6
68.99760	1.7
69.03397	1.4
70.06564	0.8
71.05003	0.6
71.56242	0.7
72.08109	1.7
79.05479	1.1
81.03388	2.2
81.07028	2.3
85.02869	1.5
86.09687	0.7
87.00759	0.6
89.03886	0.6
91.05451	2.5
93.06995	0.9
95.04965	0.7
97.02882	1.8
97.06507	1.2
99.08121	0.6
105.03422	0.6
106.02894	1.8
107.04926	2.1
109.02862	1.3
109.10156	0.6
111.04425	0.9
111.08022	0.6
115.51262	0.6
117.06960	0.7
119.04904	1.2
120.08070	0.6
121.02905	3.5
121.06484	1.6
123.04410	1.1
124.03973	4.0
127.03878	0.6
135.04442	4.2
137.02351	11.9
137.03397	1.0
137.05974	1.2
140.18050	0.5
141.01796	1.5
145.02831	1.0
147.04375	1.4
147.14664	0.5
149.02335	2.7
153.01797	1.0
153.12698	1.4
155.14284	0.7
159.04391	1.0
161.02315	4.6
163.03896	2.6
165.00525	1.1
165.01848	15.3
167.03369	2.4
171.13756	0.7
175.03891	2.7
176.14384	0.7
177.01865	2.2
177.05432	0.7
178.12180	0.6
179.03412	5.3
181.04910	1.1
183.02872	4.2
187.03760	0.8
191.03371	2.0
193.04979	1.0
195.02878	2.1
203.03383	5.7
207.02812	1.5
217.04964	0.8
221.04446	1.5
223.12361	0.7
229.05025	1.1
231.02907	1.1
235.20738	0.6
245.04514	1.9
250.07155	1.0
255.06592	1.2
258.05469	0.6
268.08185	1.9
271.05969	1.1
283.06036	6.2
286.04724	2.5
287.05502	5.4
289.03467	1.2
295.05988	5.6
297.07629	8.1
299.05511	84.1
300.06232	9.6
307.06116	0.8
309.07712	4.7
311.05505	12.9
311.08890	1.2
313.03571	1.1
313.07007	13.3
319.06116	0.7
321.07599	2.7
323.05536	5.0
325.03549	1.4
325.07053	23.2
327.08585	4.3
329.06586	54.7
330.06836	1.3
335.09213	1.4
336.06357	0.8
337.07056	38.3
341.06607	7.8
353.06564	43.8
354.07175	0.7
355.08072	4.0
363.08813	0.7
365.06567	32.7
373.07013	1.4
383.07632	100.0
384.07928	1.4
391.08014	3.7
401.08722	21.8
402.19214	2.0
419.09814	13.1
419.22812	3.0
420.12881	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	418.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	13.0
55.01878	8.7
55.05505	29.6
56.96550	8.3
57.03448	25.7
62.21214	4.2
67.05180	5.7
67.05509	77.5
69.03417	6.7
69.06725	5.9
69.07070	97.3
70.85547	3.9
71.04994	39.8
72.96063	4.3
73.02940	5.3
79.05498	79.5
81.03400	15.4
81.07060	92.1
83.04970	18.1
83.08619	17.3
85.02941	6.2
85.06543	5.0
91.04980	4.2
91.05491	54.4
93.07044	76.7
95.04988	23.9
95.08609	32.5
97.06531	100.0
97.10174	9.1
98.97572	5.3
99.08096	8.8
105.07037	43.2
107.04917	13.8
107.08584	35.9
109.02877	12.3
109.06516	27.2
109.10172	20.0
111.08044	6.8
115.05445	4.5
115.07576	59.9
117.07003	26.3
119.08613	27.4
120.85705	3.9
121.06495	12.1
121.10132	21.3
122.06015	4.0
123.08091	8.1
123.11726	4.2
125.09617	8.5
127.03911	8.1
129.06972	10.4
131.08572	22.9
133.06528	5.3
133.10130	26.2
135.08040	11.8
135.11696	16.1
137.05959	5.8
143.08546	12.5
145.06483	5.1
145.10094	14.5
146.97578	3.9
147.08049	7.2
147.11633	11.8
147.49431	4.1
149.09630	5.0
149.13272	26.3
151.07622	4.9
151.11147	4.2
157.10133	9.3
157.96091	4.5
159.11674	26.4
161.09566	4.5
163.11211	7.1
167.07010	15.9
168.07407	6.7
171.11682	4.6
173.13339	4.9
177.12747	19.8
183.11649	4.0
185.13242	4.3
195.13806	9.3
217.15845	8.4
223.13347	5.4
227.12796	10.4
233.15483	5.3
245.19115	5.2
256.61902	4.0
269.17453	52.3
273.18521	29.2
291.19312	9.3
297.17062	32.9
307.05984	4.1
326.13748	4.3
365.23215	19.8
383.24380	5.6
400.29248	5.4
418.15884	7.7
418.30298	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47048	3.8
53.03944	7.8
55.01864	12.2
55.05512	26.7
55.65703	4.1
56.96552	7.0
57.03439	22.4
67.05173	6.6
67.05500	83.9
69.03424	7.9
69.07067	87.0
70.83035	6.2
70.83375	10.0
71.04997	33.0
73.02934	7.8
77.49497	4.2
79.05490	69.9
81.03410	20.8
81.07053	80.1
83.04973	13.8
83.08609	16.9
85.02906	5.7
85.06569	6.9
91.05476	52.8
92.05797	4.7
93.07047	63.8
95.04961	22.1
95.08626	38.4
97.06531	100.0
97.10153	11.3
98.97594	8.6
99.08088	9.7
105.07034	38.8
107.04949	14.1
107.08591	30.2
109.06517	27.5
109.10169	16.8
111.08045	5.1
115.07563	54.9
117.07016	24.3
119.04932	5.1
119.08597	22.4
121.06506	14.0
121.10151	23.6
123.08099	9.7
127.03986	9.8
127.07577	7.0
129.06987	10.9
131.08569	30.1
133.10123	19.9
135.08060	15.9
135.11697	13.2
135.50180	4.5
137.05981	6.9
141.54395	4.9
142.94968	4.3
143.08574	9.8
145.10095	11.2
147.08015	10.8
147.11676	7.5
149.09697	9.5
149.13246	20.3
157.10135	9.9
159.11700	25.1
161.09642	13.5
161.13344	5.8
167.07068	9.2
171.11673	8.1
177.12756	20.0
185.13345	5.5
195.13879	7.5
217.15932	8.7
227.12762	8.3
233.15277	8.3
245.18962	5.3
255.17509	6.9
263.15826	4.7
269.17508	46.2
273.18536	24.6
291.19568	9.9
297.16904	37.4
347.22293	5.9
365.23267	11.9
388.14828	5.2
418.22461	5.4
418.30762	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	418.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.9
55.01863	14.1
57.03435	12.5
61.02926	8.9
66.12272	3.2
68.99757	3.7
69.03433	42.7
69.54306	7.1
69.54707	19.4
71.05003	8.1
73.02924	14.7
80.24970	2.9
81.03418	42.6
85.02909	94.4
87.00832	45.3
97.02898	100.0
99.04456	23.3
105.01874	51.6
105.07117	3.9
109.02889	31.8
117.01859	6.3
121.02879	33.1
127.03919	96.6
129.01878	4.8
137.05943	4.0
145.04970	75.5
151.11195	3.1
152.03590	3.6
153.05484	40.7
153.61037	3.0
159.02895	29.0
163.03841	3.0
187.15788	3.1
213.03940	4.7
231.05037	12.3
235.89728	3.2
253.46652	3.2
257.13852	3.3
263.04697	3.7
301.64868	3.3
326.58557	3.2
429.23343	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	418.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
61.02923	1.0
64.42428	0.5
69.03431	2.0
71.24527	0.7
73.06570	0.5
76.02233	1.1
81.03438	1.0
84.04517	0.8
85.02917	6.8
87.04474	0.6
89.06036	62.0
90.05560	0.6
97.02898	2.1
97.06547	1.8
99.39523	0.4
103.05753	0.5
106.02935	0.7
107.07027	0.9
109.02872	0.8
111.04528	0.5
114.37157	0.5
124.03965	0.8
127.03935	1.2
133.08609	30.4
145.04921	1.1
151.09671	2.9
158.02705	1.6
176.03748	0.8
177.11255	5.7
187.19933	0.5
193.06459	1.9
195.12306	1.5
221.13910	0.6
239.14900	100.0
240.15198	0.8
321.15631	0.4
322.10715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65562	1.0
53.03965	1.2
53.07112	1.0
55.05504	2.2
56.96571	3.3
57.03434	2.5
60.72864	1.0
64.76607	1.0
65.03931	1.8
67.05495	1.8
69.07082	1.3
79.05500	3.8
81.07060	9.8
82.06608	1.5
83.08656	1.4
84.96045	1.3
91.05502	1.6
93.07034	2.4
94.06593	1.2
95.08590	2.1
96.08157	2.1
97.63834	0.9
98.20717	2.4
98.82022	1.2
98.97594	9.9
105.07030	1.9
106.06572	1.2
107.08607	3.2
108.08129	1.6
109.10173	1.3
110.97604	2.8
116.98641	2.7
119.08639	1.4
120.08124	1.4
123.04436	1.3
124.07592	11.1
132.08118	1.9
134.09703	2.3
135.11621	1.2
136.07574	2.9
136.11264	1.3
137.05986	1.3
138.09146	3.2
146.06093	1.8
148.03931	2.6
148.07564	1.1
148.11232	1.3
149.12125	1.1
150.05467	2.0
150.12775	1.2
152.03441	2.8
152.07126	1.9
158.47420	1.1
158.99677	4.0
162.09157	9.1
164.07080	1.7
164.10706	9.7
166.05022	17.4
167.07071	14.7
173.05927	2.6
175.09950	1.1
176.03494	5.6
176.10664	1.9
176.14362	3.9
178.04961	8.8
178.12282	5.6
178.15877	2.8
180.13860	15.2
181.05019	5.7
192.02927	2.6
192.06592	4.0
194.04514	3.8
198.07936	3.6
199.08765	5.3
200.10754	2.2
204.13857	32.6
206.15417	50.9
208.16949	5.6
210.03949	1.6
211.08568	2.9
212.09421	6.2
213.10208	2.5
214.10921	1.2
219.01721	2.4
220.13289	1.9
221.62933	1.2
222.14951	5.0
224.16512	1.3
225.10243	1.7
226.10947	1.9
227.08253	2.9
227.11795	10.1
228.10242	3.6
229.13307	2.7
233.07892	1.3
237.02760	3.4
237.10243	3.1
239.08069	2.2
240.08955	4.3
241.09772	4.1
242.10599	1.6
243.07602	2.7
244.08501	2.8
246.11253	1.6
253.09587	2.0
255.06789	2.6
255.11304	12.7
257.09268	7.5
257.12881	4.0
265.09747	1.9
269.09335	4.0
270.10040	3.2
271.10672	1.5
273.12393	3.7
283.10788	100.0
284.10876	1.9
285.09259	1.3
285.12448	4.1
287.10211	12.3
288.11023	1.5
300.10989	1.4
301.11850	66.3
319.12906	52.9
329.11340	44.9
331.14276	3.7
339.17041	3.4
349.15295	9.2
353.18610	2.2
357.18002	7.8
370.15494	1.2
371.19904	6.1
381.18158	3.8
391.16437	1.8
399.19199	58.2
417.15262	5.4
417.20197	32.4
418.20581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.05494	1.0
57.03406	1.5
65.03904	1.0
65.23074	0.4
67.05490	1.4
68.07645	0.4
69.03416	0.5
69.07043	0.5
79.05489	2.7
81.06658	0.6
81.07059	7.2
82.06553	0.7
85.02885	0.5
91.05475	2.3
92.05001	0.9
93.07024	1.1
95.04890	0.5
95.08588	1.2
96.08143	2.3
96.08645	0.6
97.06487	0.8
98.20651	0.6
98.55292	0.5
98.97540	0.5
103.05402	0.6
105.07015	1.0
105.59666	0.6
106.06512	0.8
107.08564	1.4
108.08135	0.9
109.10145	0.6
122.06071	0.9
124.07581	6.0
134.09621	1.7
136.07550	1.7
137.05949	0.8
138.05492	0.7
138.09128	1.4
147.06744	0.5
150.05479	1.5
151.09941	0.6
152.03416	2.3
152.07048	1.7
157.66751	0.5
162.09143	4.7
164.06969	0.8
164.10722	5.0
166.03726	0.7
166.05011	9.1
167.07059	7.0
168.06563	1.3
172.11232	0.6
173.05977	0.9
176.03415	2.5
176.14346	1.2
178.04941	0.7
178.12285	1.2
178.15843	0.8
180.08192	0.7
180.13908	2.6
181.04942	2.4
182.09694	0.6
183.09151	0.7
184.09935	0.6
185.08379	0.7
188.10678	0.6
190.12228	0.6
190.74396	0.5
191.07057	0.5
192.01230	0.5
192.02934	1.6
194.04501	2.1
195.09113	0.5
198.07875	2.8
199.08728	4.5
199.12296	1.1
200.10744	1.9
204.13847	12.5
206.15407	13.6
208.16997	1.5
209.10814	1.2
211.08646	1.3
211.12300	1.6
212.09448	6.4
213.10136	2.3
214.08823	0.6
214.10948	1.1
222.14882	3.6
226.07324	1.8
226.11032	1.6
227.08086	1.7
227.11786	8.3
228.10361	3.5
228.12439	0.9
229.13390	0.8
233.09171	0.6
236.09351	0.6
237.10229	1.7
239.08141	1.5
240.08858	3.6
241.06396	0.5
241.09700	4.1
242.10556	1.9
243.07561	1.7
244.08282	2.5
253.09782	1.5
254.10345	0.7
255.06830	1.0
255.11319	10.8
257.09225	6.8
257.12885	2.9
259.07068	0.6
265.09634	2.1
269.09015	3.8
270.09985	4.0
272.11673	0.9
273.09476	0.5
273.12210	2.6
283.10779	100.0
284.11252	1.1
284.14139	0.6
285.08957	1.3
285.12320	2.3
287.10257	10.7
288.11029	2.4
300.11002	1.1
301.11838	64.2
302.12033	0.9
311.10223	0.6
319.12894	64.7
320.13184	0.5
321.16183	0.6
329.11331	24.8
339.16989	1.5
352.90558	0.6
353.18588	2.0
357.18118	8.0
369.18179	0.6
371.19699	2.1
372.18094	2.4
381.18332	2.4
387.14371	0.9
399.19174	46.8
400.19232	1.1
417.15677	1.7
417.20230	31.8
418.20737	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08193	0.5
52.81089	0.5
53.03944	0.7
55.01867	1.0
57.03418	1.2
65.03909	0.6
67.05492	1.0
68.99794	0.9
69.03408	1.0
69.30112	0.8
69.30517	4.1
73.92683	0.5
79.05492	0.8
81.03398	1.5
81.07045	0.6
85.02888	2.0
91.05505	1.0
93.07037	0.8
95.04958	0.7
97.02876	1.1
98.20770	0.9
100.59469	0.5
103.03921	0.9
103.05456	1.3
105.03404	4.5
105.07025	1.0
107.04925	0.5
107.08594	1.0
109.02876	1.3
119.04974	0.7
121.02888	1.1
121.06506	0.7
123.00803	0.6
123.04354	0.9
129.03357	2.3
135.04459	0.5
137.02371	0.7
141.01817	1.3
141.89229	0.5
145.06480	0.6
147.04401	2.1
149.02351	1.9
149.09598	0.6
151.03909	0.6
163.03908	0.8
165.00519	0.8
165.01857	10.5
167.03476	3.1
167.07066	6.7
173.05988	0.9
177.01833	1.1
181.04961	3.8
183.02911	2.7
187.03951	1.1
191.03406	0.7
213.05428	1.5
215.03481	0.6
217.12256	0.5
223.07545	1.5
226.06403	0.6
232.31612	0.5
239.06853	0.8
240.07903	0.8
243.03032	0.7
251.07043	11.2
254.05737	2.0
255.06596	8.9
263.07074	1.0
265.08582	7.7
267.06549	100.0
268.07318	9.9
269.08066	0.8
277.08582	1.3
279.06549	12.1
279.10117	2.6
281.04883	0.7
281.08084	3.1
283.05917	1.2
289.08612	2.7
291.06476	2.6
292.07309	1.4
293.04526	2.4
293.08075	20.0
293.11414	1.1
295.05997	0.8
297.07608	69.6
298.07916	1.0
302.85336	0.6
305.08124	3.3
307.06427	0.6
307.09674	14.8
309.07419	0.8
317.08072	3.6
319.05988	0.7
321.07608	36.7
322.07693	0.7
333.07620	12.5
335.09122	2.1
337.77008	0.5
345.07626	10.6
351.08688	21.3
352.09012	0.6
363.08667	18.2
381.09698	17.7
387.14063	0.9
399.10806	10.6
417.11731	6.4
417.16147	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1183
Annotation	Puerarin
Peak:m/z	Relative Intensity
53.01796	0.7
53.03933	1.5
53.74051	0.7
55.01860	1.1
55.73400	0.8
60.70005	0.8
66.00137	0.7
70.81905	1.0
70.82233	1.4
72.78519	0.7
79.01865	4.8
79.05473	1.0
81.03410	1.7
85.02905	1.5
103.05452	0.9
105.03397	15.0
105.06969	0.8
107.01249	0.8
109.02906	0.9
115.65511	0.7
115.66734	0.7
129.03340	1.5
130.21358	0.8
142.57097	0.7
163.03918	1.6
165.01851	2.9
167.07080	1.3
171.02933	1.2
175.03838	1.1
177.01746	0.8
177.05424	0.9
183.02872	1.0
187.03954	0.9
191.03436	0.9
197.06007	2.6
211.07607	1.8
212.08362	1.1
215.03181	0.9
217.04987	4.6
219.02763	1.1
227.07095	2.7
233.04404	0.8
239.07007	6.4
240.07835	9.6
243.02834	4.3
243.06570	2.9
254.05862	0.9
255.06506	6.7
261.03949	3.5
263.06940	1.1
265.10626	6.4
266.11346	1.4
267.06534	83.3
268.07315	39.1
268.10315	1.3
269.08090	4.1
279.06564	14.9
281.08081	18.8
282.05322	1.8
291.06387	1.4
292.07303	3.3
293.08109	7.6
295.06064	3.4
296.06760	1.0
297.07584	97.9
298.08154	1.5
305.08044	0.8
307.06226	1.9
307.09637	24.0
308.10013	1.0
309.07721	5.1
311.09149	1.7
321.07590	23.4
322.07983	0.9
327.08612	4.6
333.07730	1.3
335.09073	6.7
339.08853	2.1
351.08630	21.9
352.09692	0.9
363.08673	12.6
381.09695	31.0
385.14606	1.3
399.10782	50.8
417.11832	100.0
418.12128	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
55.05497	1.1
55.08163	0.8
56.96553	1.5
60.47438	0.9
65.03936	2.0
67.05488	1.3
69.03445	4.8
69.07073	1.2
70.06573	1.2
71.04975	0.8
71.56996	1.3
72.08130	0.8
75.65950	1.0
78.04704	1.0
79.01858	2.2
79.05465	2.7
81.03387	3.1
81.07039	2.3
84.08138	1.0
85.02901	6.1
86.09729	1.2
87.00816	1.1
91.05466	3.4
93.03397	1.1
93.07021	2.5
93.35984	0.8
93.97375	0.9
95.04956	1.3
95.08601	1.1
97.02866	1.9
97.06516	1.2
98.97569	1.2
99.04459	1.5
99.47729	0.9
100.07047	0.8
103.05444	3.3
103.06036	1.0
105.01846	1.7
105.07030	1.3
107.00176	0.8
107.04940	2.9
107.08565	2.0
109.02889	1.9
111.04416	1.5
115.05458	1.3
117.06993	1.8
119.04913	2.8
119.08522	1.3
119.13171	0.8
121.02147	1.1
121.02885	13.8
121.06483	1.1
121.08446	0.9
121.10114	1.9
123.04406	3.3
124.03931	0.8
124.05215	1.2
127.03877	3.3
128.25162	0.8
131.04924	3.5
133.06491	1.1
133.10097	1.3
135.04443	1.4
135.11705	0.9
137.05933	3.7
138.03107	1.2
145.02844	1.7
145.06450	3.7
145.10101	1.6
147.04369	0.8
148.05200	1.4
151.03836	1.1
151.07613	1.0
157.06418	1.1
161.05983	1.9
163.03902	1.5
163.07497	2.9
165.01814	1.5
167.07057	40.5
171.02873	1.0
173.06012	4.9
177.01817	1.0
177.16327	1.5
181.04980	16.4
187.07524	1.1
191.07053	9.3
199.07538	1.0
205.08444	1.4
213.05380	3.1
217.04944	1.1
219.06442	5.1
224.55618	0.9
227.06953	2.5
228.07903	1.3
233.08093	2.1
235.09564	1.9
239.06877	1.0
243.06546	2.8
245.04343	3.4
255.06566	21.0
256.07376	10.9
261.07513	2.9
263.05402	3.7
263.09006	0.8
267.06284	2.4
270.05115	1.3
271.05936	3.1
283.06049	46.9
284.06815	42.0
285.07379	2.3
295.06067	12.0
297.07587	16.1
298.04617	1.0
307.09698	1.0
308.06808	1.1
309.04559	0.9
309.07553	6.0
311.05362	2.5
313.07077	100.0
319.09818	4.5
321.07471	2.5
323.05521	4.8
325.06931	3.7
325.10538	3.9
327.08536	2.8
335.09021	4.5
337.07047	15.3
337.10638	1.0
339.08682	1.0
343.08142	7.5
353.10141	2.7
355.07898	2.6
363.08560	11.5
381.09735	69.0
387.14316	5.6
399.10776	38.6
417.11594	85.3
418.12195	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
66.01936	0.5
69.03403	0.6
71.55524	1.1
81.03392	1.5
81.80756	0.6
85.02901	0.6
97.02845	1.4
98.97544	1.5
101.00854	1.3
109.02878	2.6
112.69485	0.4
113.03450	0.7
116.98589	0.7
119.01888	1.1
120.95358	1.1
138.96422	6.3
156.97491	25.8
157.03461	1.1
160.52597	0.4
164.98003	1.8
168.97479	1.1
174.98555	11.0
175.04529	0.7
176.97964	1.1
177.00978	1.1
178.01070	0.6
178.95946	0.7
180.97485	8.6
182.99062	14.8
184.97093	0.8
194.99066	13.5
196.97014	2.9
198.98557	23.5
201.00093	6.8
204.97539	0.9
206.98982	0.7
210.98535	1.0
213.00102	36.5
216.99615	2.5
218.99084	0.6
219.02065	0.7
220.96815	0.5
221.05023	0.9
222.98508	4.8
225.00110	1.6
231.01178	3.1
236.99966	0.6
240.99620	4.5
246.98575	1.0
252.87126	0.5
255.01213	0.5
259.00339	0.7
264.99579	1.5
272.99155	0.7
274.97522	1.3
283.00482	3.0
301.01709	100.0
302.01758	1.9
315.00500	1.1
319.02878	3.6
334.01501	0.6
357.04346	96.8
358.04572	2.5
375.05527	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	417.1178
Annotation	Daidzin
Peak:m/z	Relative Intensity
64.76328	0.1
65.03951	0.2
69.57215	1.0
85.02905	0.2
91.05472	0.7
116.39725	0.2
119.04933	0.5
121.02850	0.3
128.06226	0.3
129.06996	0.4
131.04898	0.2
133.02823	0.5
137.02351	4.3
143.08559	0.3
145.02869	0.9
149.02307	0.3
153.06987	0.7
157.06517	0.5
171.08054	0.6
181.06464	1.9
184.05249	0.2
185.05939	0.2
199.07552	7.3
209.05919	0.2
211.07639	0.2
227.07031	3.6
237.05515	1.6
255.06528	100.0
256.06879	1.1
417.11142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1186
Annotation	Puerarin
Peak:m/z	Relative Intensity
55.01866	1.5
55.05497	1.1
55.08163	0.8
56.96553	1.5
60.47438	0.9
65.03936	2.0
67.05488	1.3
69.03445	4.8
69.07073	1.2
70.06573	1.2
71.04975	0.8
71.56996	1.3
72.08130	0.8
75.65950	1.0
78.04704	1.0
79.01858	2.2
79.05465	2.7
81.03387	3.1
81.07039	2.3
84.08138	1.0
85.02901	6.1
86.09729	1.2
87.00816	1.1
91.05466	3.4
93.03397	1.1
93.07021	2.5
93.35984	0.8
93.97375	0.9
95.04956	1.3
95.08601	1.1
97.02866	1.9
97.06516	1.2
98.97569	1.2
99.04459	1.5
99.47729	0.9
100.07047	0.8
103.05444	3.3
103.06036	1.0
105.01846	1.7
105.07030	1.3
107.00176	0.8
107.04940	2.9
107.08565	2.0
109.02889	1.9
111.04416	1.5
115.05458	1.3
117.06993	1.8
119.04913	2.8
119.08522	1.3
119.13171	0.8
121.02147	1.1
121.02885	13.8
121.06483	1.1
121.08446	0.9
121.10114	1.9
123.04406	3.3
124.03931	0.8
124.05215	1.2
127.03877	3.3
128.25162	0.8
131.04924	3.5
133.06491	1.1
133.10097	1.3
135.04443	1.4
135.11705	0.9
137.05933	3.7
138.03107	1.2
145.02844	1.7
145.06450	3.7
145.10101	1.6
147.04369	0.8
148.05200	1.4
151.03836	1.1
151.07613	1.0
157.06418	1.1
161.05983	1.9
163.03902	1.5
163.07497	2.9
165.01814	1.5
167.07057	40.5
171.02873	1.0
173.06012	4.9
177.01817	1.0
177.16327	1.5
181.04980	16.4
187.07524	1.1
191.07053	9.3
199.07538	1.0
205.08444	1.4
213.05380	3.1
217.04944	1.1
219.06442	5.1
224.55618	0.9
227.06953	2.5
228.07903	1.3
233.08093	2.1
235.09564	1.9
239.06877	1.0
243.06546	2.8
245.04343	3.4
255.06566	21.0
256.07376	10.9
261.07513	2.9
263.05402	3.7
263.09006	0.8
267.06284	2.4
270.05115	1.3
271.05936	3.1
283.06049	46.9
284.06815	42.0
285.07379	2.3
295.06067	12.0
297.07587	16.1
298.04617	1.0
307.09698	1.0
308.06808	1.1
309.04559	0.9
309.07553	6.0
311.05362	2.5
313.07077	100.0
319.09818	4.5
321.07471	2.5
323.05521	4.8
325.06931	3.7
325.10538	3.9
327.08536	2.8
335.09021	4.5
337.07047	15.3
337.10638	1.0
339.08682	1.0
343.08142	7.5
353.10141	2.7
355.07898	2.6
363.08560	11.5
381.09735	69.0
387.14316	5.6
399.10776	38.6
417.11594	85.3
418.12195	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	416.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24150	1.2
53.03950	6.6
55.01865	8.1
57.03428	5.6
58.02967	1.5
61.02913	4.6
62.94752	1.0
68.99781	3.6
69.03083	1.7
69.03434	32.8
70.06580	1.5
71.01337	1.1
71.04996	3.1
71.24644	2.0
72.08133	2.2
73.02912	5.6
77.03921	1.5
80.25717	1.1
81.02991	1.7
81.03425	22.1
83.09730	1.2
84.08185	1.5
85.02911	89.6
86.09698	2.7
87.00834	28.9
87.04436	1.5
91.03951	2.1
95.04976	2.2
97.02902	21.0
99.04472	11.7
101.02299	1.3
104.04990	1.8
105.01866	31.2
105.03395	3.0
106.02937	1.4
109.02140	1.4
109.02887	25.9
110.03681	10.8
111.04368	2.8
117.01809	2.5
123.04433	69.8
124.03943	2.7
127.03922	53.0
129.01845	3.9
132.04469	2.7
134.06035	1.7
136.05161	1.8
137.05978	1.5
145.04984	23.3
147.02890	3.5
150.05531	2.6
151.06287	37.3
159.02910	12.5
162.05530	4.3
168.06572	100.0
189.03922	2.7
231.05009	9.9
253.12125	1.5
253.55849	1.2
268.08090	1.6
354.17920	1.7
443.17334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67098	1.3
55.05511	2.7
56.65672	1.3
56.96566	27.8
67.05528	2.3
69.03430	2.3
69.07067	4.7
71.04980	1.5
71.56229	2.0
71.95251	1.8
79.05484	1.7
81.03412	3.0
81.07057	5.3
84.04494	2.5
84.96045	13.6
85.02887	4.4
91.05476	6.4
93.07038	5.5
95.08595	3.1
97.02896	1.7
97.06512	2.1
97.96809	4.7
98.97591	90.0
107.08614	4.0
109.02898	2.8
109.10155	1.8
110.97575	22.9
112.99133	3.9
116.98636	34.5
119.08596	3.0
121.02836	1.7
121.06488	4.5
123.04465	2.1
124.99132	2.5
127.03933	3.4
128.98611	17.2
130.05006	1.5
131.00182	4.1
134.61360	1.4
134.99670	8.4
135.08154	1.9
136.53346	1.6
137.05974	5.4
140.00208	3.8
140.98590	6.1
143.00169	13.0
144.98085	5.8
145.10138	1.9
146.99649	6.6
147.11711	1.8
149.01213	2.0
152.98624	10.0
153.41342	1.3
155.00139	2.1
158.99669	23.5
161.01224	7.7
161.02974	2.2
162.99149	5.0
164.07137	1.8
165.01888	1.7
170.99669	9.6
173.01266	4.8
177.00772	15.0
182.99750	1.8
189.00751	4.5
191.02296	1.8
195.01843	2.4
200.02298	1.8
201.00674	7.0
203.09337	1.8
209.13106	1.5
211.16838	1.6
219.01772	29.8
235.13200	2.6
237.02852	36.1
239.47609	1.4
242.03360	2.3
245.10501	2.1
253.04956	1.9
255.03827	2.9
260.04367	2.8
283.06064	13.6
288.15207	1.7
309.07462	4.8
318.38693	1.7
323.09183	3.6
329.12735	100.0
337.07068	7.9
347.13797	69.3
349.07120	2.3
361.07288	1.9
367.08102	3.8
370.15353	16.3
371.13748	29.7
379.08197	1.7
389.14923	7.9
397.09167	4.1
414.30078	1.9
415.13760	16.3
415.30557	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1865
Annotation	Jerantiphylline A
Peak:m/z	Relative Intensity
55.01879	1.1
56.05047	1.2
56.96556	4.0
57.20645	0.8
60.89596	0.7
66.60038	0.7
69.03421	1.5
69.07060	1.3
70.06589	1.5
71.04999	16.3
71.08615	1.3
71.55268	0.9
73.02921	0.9
79.05491	1.5
80.05012	2.4
81.03407	2.1
84.04506	1.1
84.96072	1.2
85.02902	3.2
85.68640	0.8
86.09709	3.2
88.11272	9.4
89.11591	1.8
93.05801	4.7
94.06566	3.1
96.04472	1.5
97.02885	1.6
98.06076	1.6
98.97590	8.5
99.04468	8.0
103.05513	0.8
104.05017	1.2
106.06558	13.3
107.07380	3.5
109.02779	0.8
110.02348	1.0
110.97570	2.7
116.08342	0.7
116.98627	2.9
117.05743	1.7
118.06558	2.0
120.08138	4.1
121.06506	1.0
122.06020	0.9
125.03455	0.9
128.98633	2.7
130.06531	46.8
131.07336	0.8
132.08102	2.3
136.07567	2.0
137.44159	0.7
138.05486	2.4
143.00128	1.5
143.07362	1.0
144.08086	5.6
145.04997	1.1
146.99667	0.9
150.05511	4.0
152.04529	1.4
154.06531	1.1
156.08064	2.5
158.09663	1.6
158.99715	1.3
160.07567	1.1
161.01221	1.5
162.09061	1.2
164.07106	1.6
167.07304	2.2
168.06703	1.4
168.07997	3.7
169.08818	1.1
170.09648	1.5
170.99675	1.6
171.09186	1.4
174.09050	1.0
177.00705	1.4
180.08096	5.9
181.08897	2.2
182.09695	1.9
186.09143	1.3
188.07103	1.6
191.07162	3.6
192.08022	2.0
193.08884	2.4
194.09760	7.2
195.09195	2.5
196.09732	1.1
196.11237	3.9
197.07071	1.0
197.10849	1.1
204.08147	4.2
204.10167	1.3
205.08890	2.1
206.08044	1.8
206.09798	15.0
207.09059	7.9
208.09923	4.6
208.11348	3.1
209.04553	0.8
209.10713	2.9
210.11299	1.3
210.99042	1.0
211.12373	0.9
212.10678	1.3
215.08208	1.5
219.01857	4.3
219.09187	2.6
220.09914	3.1
221.10748	34.5
222.07895	1.1
222.11472	14.9
223.12312	32.1
224.10703	1.4
224.12848	0.8
229.00198	2.0
232.09853	0.9
233.10756	3.6
234.11462	1.7
235.12260	3.6
236.13014	2.2
237.02847	6.2
237.13869	4.4
238.11487	1.0
239.11824	2.6
247.12373	3.0
248.09500	1.4
248.13103	1.1
249.10248	4.0
252.08699	1.3
253.13425	2.8
254.10413	8.3
256.13049	1.2
259.12335	1.5
261.13898	2.0
267.11301	14.5
268.12125	2.2
271.01630	1.0
275.15366	1.4
284.12436	3.1
285.12314	5.1
287.11227	1.2
287.14322	5.1
299.13925	3.5
303.14981	2.9
311.14185	1.0
313.11917	1.8
313.15231	1.1
319.14349	2.5
321.15976	11.6
323.13828	1.1
324.14609	2.0
325.05820	1.4
331.12839	10.6
337.15347	3.6
338.16171	1.8
339.17044	59.6
340.17514	1.0
347.13934	10.7
355.03290	1.2
355.07156	4.1
357.14581	3.7
365.14978	21.6
371.19751	3.8
373.04221	4.6
383.16037	66.7
384.16614	3.7
415.09689	2.7
415.18661	100.0
416.19040	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1003
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
57.74174	3.3
60.33549	4.3
65.81319	3.2
65.93704	3.2
66.24809	3.4
71.55315	3.6
71.55739	5.8
109.02885	6.1
136.93999	16.6
141.66058	3.7
150.95631	4.3
170.68100	3.9
201.82339	3.7
208.96304	4.7
226.97197	37.8
273.07083	4.3
329.03983	8.2
390.33347	3.5
415.00394	11.7
415.10037	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	17.2
69.07069	4.4
69.47921	18.5
78.48965	2.7
84.96024	11.2
91.05482	3.5
91.47920	2.8
97.96780	5.0
98.97594	98.8
110.97568	26.4
112.99131	5.0
116.98640	23.0
121.06507	2.9
124.99110	4.4
128.98607	13.2
130.04987	2.3
131.08601	2.5
133.10138	3.5
134.99690	4.6
140.00166	5.3
140.98605	6.9
143.00188	6.0
144.98059	5.6
146.99525	3.8
152.98613	6.9
158.99669	27.4
161.01202	6.5
170.99660	6.0
173.01215	5.7
177.00731	13.1
189.00638	4.2
191.63846	2.4
201.00757	4.7
205.56078	2.3
219.01782	30.9
235.24898	2.8
237.02875	27.2
269.10568	2.7
283.06012	11.2
309.07507	2.6
329.12787	34.3
337.06967	5.4
347.13794	100.0
347.18054	4.9
370.15326	7.4
371.13690	8.2
389.14804	17.1
415.13733	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	17.9
57.09326	0.9
63.80824	0.8
68.94328	0.9
69.03434	0.9
70.06593	2.2
71.36053	1.6
71.95252	1.4
78.02880	0.7
84.67223	0.9
84.96037	9.9
85.02895	3.3
97.02905	1.3
98.97590	70.8
103.32706	0.8
110.97577	36.4
110.98336	2.2
112.99142	6.2
116.98637	20.6
124.99119	2.5
126.97033	1.2
128.98613	33.4
131.00177	5.7
134.99669	4.7
137.05972	3.6
140.98601	2.9
143.00212	6.2
144.98071	1.0
146.99644	14.1
152.00279	1.1
155.00153	1.1
158.99689	5.7
160.99121	1.6
161.01256	7.9
162.99237	1.0
165.00760	1.6
165.99438	1.2
170.99664	9.6
174.99208	1.1
177.00774	4.6
179.00200	6.2
181.01706	2.6
182.99623	1.1
184.00481	0.8
186.40323	1.0
189.00719	7.0
193.01775	2.1
195.01654	0.9
197.01233	6.7
199.02829	3.1
201.00690	9.2
209.01396	1.0
211.02840	6.8
219.01781	72.4
220.01836	0.8
223.02847	0.9
223.12337	1.0
227.02304	3.4
229.03894	11.7
237.02835	96.6
241.03987	1.0
242.03368	2.6
247.04903	1.7
250.72447	0.9
253.04050	3.2
255.03705	4.2
257.03180	0.9
260.04425	2.1
265.03775	2.4
271.04803	1.7
289.03818	1.4
295.04871	3.3
307.04898	9.4
325.05960	16.1
337.06055	2.3
339.16830	1.3
343.07034	6.8
355.07022	100.0
373.08069	27.3
391.09467	1.5
396.09741	4.2
415.08990	17.7
415.14084	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
54.50577	2.3
55.05503	4.5
55.31685	2.0
57.03447	2.5
59.04259	2.0
67.05515	12.3
69.07063	4.9
69.89287	4.7
69.89648	9.5
71.08620	8.6
79.05488	8.2
81.03326	2.0
81.07066	13.4
83.08611	2.7
91.05484	5.5
93.07050	14.2
95.08602	10.0
99.08087	8.7
105.07021	4.4
107.04948	2.7
107.08607	7.4
109.10129	6.0
119.08579	9.8
121.10165	8.0
133.10138	3.2
135.11664	11.1
137.06033	3.3
138.86346	2.5
147.11557	3.6
151.11137	4.0
161.13164	3.2
179.14330	28.8
235.91876	2.6
265.40161	2.5
277.21640	20.7
351.25299	100.0
351.29605	5.1
397.16446	3.6
436.66812	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	414.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09850	3.0
54.85657	2.5
55.05499	9.5
57.03434	2.5
67.05492	9.5
69.07069	7.1
70.67628	8.2
71.08623	7.0
79.05470	11.0
81.03419	3.5
81.07063	13.9
85.02872	3.1
86.09713	3.1
91.05470	4.9
93.07029	10.8
95.04961	6.6
95.08597	10.4
97.02906	2.4
99.08128	4.7
105.07018	8.8
107.08620	9.8
109.06523	9.7
109.10185	3.3
119.08598	14.1
121.06513	5.6
121.10152	5.0
131.08586	4.2
133.10143	5.8
135.11754	3.2
143.96176	2.3
145.10141	3.3
147.11632	3.2
149.09650	3.3
149.13167	2.6
152.13028	3.0
159.11780	3.5
161.13214	3.3
163.11159	4.8
165.12782	29.2
177.12796	4.2
181.15845	5.4
184.56775	2.5
191.14282	3.6
198.84465	2.5
245.08601	2.7
255.10172	5.3
261.22131	11.6
277.21619	7.7
285.10959	3.1
289.21655	31.5
307.22565	12.0
317.18134	2.8
329.16293	11.4
333.24261	33.8
351.25311	100.0
352.25546	3.0
414.22870	3.5
415.32162	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	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63490	2.2
55.05506	4.9
57.03428	2.4
59.86539	2.3
64.15829	2.2
65.79793	2.2
67.05511	10.5
69.07057	2.7
70.67596	2.0
71.08629	13.3
72.85528	2.1
74.28520	2.4
77.88597	2.1
79.05489	8.6
81.03439	2.4
81.07064	14.8
83.21947	2.4
86.47539	2.3
91.05467	4.8
93.07053	15.5
95.04971	2.5
95.08594	7.0
97.06563	3.7
99.08096	6.8
105.07048	5.4
107.04996	2.9
107.08587	10.2
108.92389	2.1
109.10155	4.6
115.66344	1.9
118.77665	2.0
119.08571	6.8
121.10165	11.5
131.08522	3.1
133.10129	5.1
135.11719	10.1
149.13228	3.3
151.11176	5.0
161.13252	3.7
179.14319	42.3
211.07564	5.7
253.08591	2.4
255.07831	2.6
255.10207	18.8
256.10770	3.1
263.08426	2.2
271.09717	2.5
277.21658	34.1
285.11349	3.1
286.11987	8.7
296.12903	3.8
314.13831	10.7
315.14105	2.3
324.09253	3.4
329.16287	28.3
351.25302	100.0
369.87869	2.3
414.22684	9.2
414.31027	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	414.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.3
57.89135	0.6
59.04990	0.6
65.03942	0.8
69.21313	5.5
70.06592	3.0
72.41441	0.6
79.05510	0.9
85.06548	8.5
91.05487	2.8
102.06983	0.7
103.05487	0.9
105.07034	2.7
107.04967	2.1
108.05741	1.2
114.09175	20.7
115.05480	6.9
119.04976	1.0
131.04861	1.0
132.05698	0.7
133.06462	1.5
134.07309	1.0
135.04417	1.6
135.08047	1.1
136.05202	2.7
137.05992	5.4
139.07549	0.8
143.04930	25.1
145.06378	0.6
146.05959	1.2
149.05986	0.8
150.06764	6.4
151.07553	65.1
160.05206	2.9
161.05943	0.7
163.06334	3.2
163.07524	1.4
165.09138	17.9
174.06767	1.2
175.06248	1.2
175.07561	16.0
176.07077	11.0
176.08521	1.1
177.09088	1.4
178.08643	62.6
189.09215	1.3
190.08644	5.7
191.09451	8.4
203.09047	0.7
204.10211	1.5
212.29205	0.6
221.09642	1.0
222.10562	0.8
222.19313	1.0
247.12079	5.4
250.09941	1.1
253.12332	1.1
262.14404	62.9
263.14761	1.1
267.10150	1.3
280.10687	0.7
281.11707	1.8
282.12543	1.3
283.06094	2.1
283.13123	0.8
294.12421	0.9
299.12640	1.0
310.14865	0.8
313.14157	3.3
315.16309	0.8
325.14362	1.6
342.17026	65.7
343.17258	1.2
397.09180	0.8
414.22787	100.0
415.23203	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	414.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70869	0.8
55.05528	1.0
56.96555	1.0
61.02930	1.2
62.66376	1.0
67.05504	2.3
69.07067	1.8
69.31540	0.8
69.95558	3.4
70.02976	1.2
79.05481	2.4
81.03419	1.4
81.07071	2.7
81.23308	0.9
83.04980	0.9
84.04524	1.8
88.11254	1.3
91.03960	1.0
91.05489	5.4
93.07036	1.6
95.04979	1.2
95.08620	2.3
98.21360	1.4
98.97604	3.1
103.05438	1.6
105.07037	1.8
107.04939	5.2
107.08611	1.1
108.05750	3.4
109.06508	1.3
115.05457	24.5
117.07015	2.1
119.04943	1.7
119.08591	1.6
121.06531	4.3
127.03967	0.9
129.07066	1.5
131.04929	1.9
132.05666	1.3
133.06558	0.9
133.10043	1.0
135.04453	2.5
135.07973	1.2
136.05225	5.1
137.05977	13.3
137.09555	0.8
139.07555	1.2
143.04926	70.0
145.06476	1.6
146.06087	0.9
146.07246	0.9
147.08000	1.2
149.06071	0.9
150.06831	2.6
151.07541	100.0
158.07297	1.7
160.05208	10.3
161.06001	1.4
162.06937	1.0
163.06303	2.9
164.07172	0.9
165.05482	2.1
165.09102	5.9
174.05537	8.7
174.06842	3.1
175.07549	43.8
176.07135	2.4
177.09161	3.6
178.08636	39.1
181.08669	1.6
188.07114	1.2
189.07848	2.7
189.09294	4.8
191.07025	1.1
195.08006	1.0
202.08665	1.5
204.10199	20.6
205.08630	1.8
214.05232	1.0
216.06595	1.4
216.10159	1.6
217.08092	1.0
221.09732	1.2
222.10527	2.9
223.07706	1.4
223.09686	1.5
229.07286	1.2
235.07693	1.5
236.42020	0.8
237.09064	1.5
238.09956	1.5
244.09776	2.2
247.08435	3.4
248.09148	1.2
249.09221	1.2
250.09865	2.3
251.07198	1.2
253.12247	4.6
262.10736	21.0
263.11560	4.2
266.09317	1.1
267.10153	3.3
280.10889	1.0
281.11758	4.2
282.12589	3.6
283.09525	1.4
298.12204	1.1
299.12726	3.0
308.12903	1.4
311.12817	1.2
313.14294	17.3
323.12836	2.0
324.12491	2.4
325.13223	3.0
338.13904	1.9
340.15436	50.9
341.15741	1.1
364.15536	1.2
382.12302	0.6
382.16483	59.1
414.19226	59.6
414.30054	8.5
414.75848	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1913
Annotation	Solidaline
Peak:m/z	Relative Intensity
55.01863	0.5
55.05522	0.6
56.96556	0.7
59.04999	0.4
63.53209	0.4
67.05502	1.1
69.03423	0.4
69.07058	0.7
69.35613	3.6
70.06591	0.8
74.13392	0.4
79.05497	0.6
80.00471	0.4
80.05005	1.0
81.03403	0.8
81.07066	0.7
82.02938	1.2
83.08613	0.5
83.74566	0.4
84.04500	1.8
85.02893	0.6
86.06114	0.6
86.43312	0.4
88.11266	1.2
91.05476	2.1
93.07069	0.8
95.08629	0.6
96.04495	1.4
98.06049	1.8
98.21445	0.7
98.97585	0.5
105.07076	1.0
107.08600	0.8
109.10153	0.6
116.07092	0.5
119.04980	0.6
121.06496	2.1
133.10117	0.4
137.05983	2.2
138.06239	0.4
153.07071	0.4
163.02684	0.6
165.07059	0.6
178.07645	0.4
179.08595	1.0
181.06468	0.9
182.07346	0.6
191.08566	1.4
194.07388	0.4
195.08052	2.1
198.06567	0.4
199.07478	0.5
203.69785	0.4
205.06554	0.8
206.07336	1.2
207.08066	2.4
208.08870	0.9
209.05974	0.9
209.09676	1.3
210.06813	0.7
210.10515	0.6
211.07529	2.4
211.11171	0.6
219.08110	1.6
220.08826	0.9
221.06059	0.5
221.09618	2.7
222.06906	0.5
222.10405	3.1
223.07573	3.4
223.11047	0.6
224.08241	1.2
225.09100	3.3
233.06194	0.6
235.07559	6.1
236.08372	1.1
237.09189	3.8
238.06271	0.5
238.09938	3.2
239.07030	1.2
239.10767	2.4
240.07768	0.6
241.08693	2.2
242.09174	0.5
247.07533	0.8
248.08272	1.0
249.05490	0.5
249.09189	2.3
250.09920	8.4
251.07091	3.3
251.10690	4.6
252.07841	1.3
253.08557	2.3
253.12320	1.8
254.09435	2.4
255.06557	1.2
255.10226	2.3
256.07281	0.9
264.07919	0.8
265.08676	3.5
266.09415	3.0
267.10159	12.3
268.07715	0.6
268.10794	1.1
269.08093	2.8
270.08920	3.1
270.12671	0.5
271.09671	2.2
279.10138	5.2
280.10941	6.3
281.08234	2.4
281.11694	15.9
281.14853	0.8
282.09268	0.7
282.12494	13.7
283.09680	4.1
284.10428	3.4
285.11243	6.0
286.12021	1.6
290.17563	1.3
296.10413	6.5
298.12018	6.6
299.12762	0.8
308.12820	0.8
310.10797	0.6
311.12723	3.9
313.14340	3.7
314.21109	1.0
316.22473	1.3
324.12265	1.1
325.12787	0.5
332.12753	0.6
340.15427	2.9
382.16504	31.3
383.17090	0.6
414.19131	100.0
414.30035	8.1
415.19476	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	413.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23136	1.4
88.05108	0.8
109.10123	0.7
129.05362	0.7
173.21992	0.9
175.04549	3.6
267.72922	0.8
367.28394	0.8
413.28485	100.0
414.28851	1.0
431.65466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01863	1.3
56.96550	0.9
57.03421	1.4
61.02916	1.5
69.03087	0.7
69.03436	10.4
69.88641	2.4
70.06598	0.7
71.04994	1.2
73.02912	1.8
81.02980	0.8
81.03423	9.2
85.02427	0.9
85.02908	12.0
87.00835	2.3
87.04470	1.2
88.11253	0.6
91.03934	0.7
91.05473	1.0
91.96934	0.4
93.07040	0.6
97.02898	6.4
98.97618	3.8
99.04459	2.4
103.03944	1.8
103.05450	1.8
105.01871	0.7
106.06563	0.7
107.04967	0.7
109.02884	7.2
116.98634	0.9
119.04957	1.2
120.08094	2.0
121.06509	10.4
123.04414	1.6
123.72184	0.5
127.03935	7.4
128.98615	0.5
131.04890	3.1
136.05171	1.2
137.05981	18.2
145.04971	2.1
146.99710	0.7
148.07562	1.9
149.05989	13.0
159.02882	1.4
163.06381	0.7
164.07083	6.1
165.07932	1.2
166.08644	100.0
167.08978	0.8
177.00717	1.8
187.06038	1.9
191.56758	0.5
195.01724	0.6
208.09702	1.4
211.02856	0.6
219.01614	0.8
219.03462	1.1
223.12369	1.0
237.02866	1.2
247.01239	0.6
256.03348	0.8
256.53641	0.6
296.06653	0.7
296.56561	0.7
313.05652	1.2
328.13907	5.9
334.12891	0.6
354.05746	1.1
370.14990	23.2
414.13965	67.2
415.14130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1708
Annotation	CHEBI:67509
Peak:m/z	Relative Intensity
56.96561	10.2
57.03439	2.0
69.03413	7.0
69.27187	6.5
69.27614	10.5
70.06593	4.6
72.08153	4.7
73.02917	3.3
77.93036	1.9
78.29177	1.9
80.05037	2.1
84.04504	2.5
84.96033	1.9
85.02895	9.2
86.24973	1.9
89.90910	1.9
93.05830	2.9
97.02895	4.2
98.21510	4.5
98.97584	27.3
106.06552	6.4
109.02904	2.6
110.97557	4.0
114.02423	2.4
116.98636	9.2
118.06543	4.1
119.01891	2.5
120.08131	2.7
121.06550	1.9
128.98651	3.5
130.06537	41.8
132.08116	2.6
135.04378	4.2
136.06177	7.0
136.07524	1.7
137.05972	3.0
142.04961	2.9
143.00201	2.6
144.08090	2.0
145.02802	4.0
149.06082	2.5
151.03867	3.1
155.01901	2.2
156.07791	5.6
158.99670	4.5
161.01160	4.9
163.03900	26.2
166.08650	7.7
167.07246	2.3
173.01530	2.1
173.02985	3.9
174.99243	2.5
177.00761	9.8
179.08629	1.9
180.08154	3.8
182.09634	2.3
183.09189	3.1
185.03026	2.4
189.07889	4.5
191.07266	4.3
194.09695	7.8
195.01550	2.8
197.03001	2.5
198.05179	2.2
204.08118	4.3
206.09819	17.6
207.03159	3.1
207.09094	7.3
208.09903	5.4
219.01746	7.6
219.09259	3.2
220.09724	4.7
221.10770	30.1
222.11462	10.1
223.12289	30.1
227.02238	3.0
233.10730	2.5
234.11450	3.4
235.12384	14.1
236.13097	5.3
237.02884	9.6
237.14000	2.0
239.11769	6.0
241.87334	2.1
244.10008	2.0
245.05177	4.2
247.01212	3.6
251.13879	5.0
252.08705	2.7
259.12231	2.7
263.11887	3.1
265.02185	2.8
267.11267	8.6
281.09802	3.6
285.12473	2.6
290.10593	2.9
291.14902	7.1
293.09491	2.1
301.13391	8.8
303.11282	5.5
305.05441	2.4
305.14941	3.6
317.12860	4.1
319.14444	12.6
327.11298	3.4
329.11337	13.3
335.13922	5.4
337.15475	50.2
345.12027	5.4
353.05298	27.3
355.12744	2.6
363.13397	19.3
369.17993	6.6
371.06760	8.7
381.14462	100.0
382.15103	4.3
413.17068	61.1
414.13672	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	413.142
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05007	0.9
56.96582	0.5
57.03428	0.5
63.15940	0.5
69.03416	0.7
70.06593	1.3
70.92956	1.0
74.06081	1.2
80.50832	0.5
83.90453	0.4
84.08148	0.5
85.02905	0.8
87.44255	0.5
98.06038	0.7
102.05522	1.2
102.87241	0.5
110.06055	1.7
119.03551	2.8
120.06587	9.6
120.07940	0.6
123.84027	0.5
124.07591	0.8
130.06601	0.6
131.04942	0.6
136.06195	100.0
137.04591	0.9
137.06015	0.5
139.48615	0.5
142.08646	2.8
154.08646	1.3
155.07118	0.5
162.04124	60.9
221.10858	0.8
223.12346	1.1
251.13977	1.3
268.10532	1.4
278.24561	0.5
281.09940	57.0
282.10260	1.0
381.18030	0.8
413.20734	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	413.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.05503	2.2
57.03439	8.1
58.06598	1.3
59.05000	1.0
61.02917	1.9
69.96581	2.2
69.96992	3.2
71.05019	1.2
75.04486	1.0
75.19263	1.1
76.88345	1.0
77.16299	1.0
81.03400	2.4
81.07050	1.3
83.04991	15.1
85.02882	4.2
89.03909	2.3
91.05485	3.7
91.22787	1.0
93.07037	1.8
97.06511	2.3
98.21366	1.4
99.04471	6.9
102.86064	1.1
103.03964	5.4
105.07031	2.0
107.08631	1.5
109.02909	6.5
113.24755	1.1
115.25407	1.0
117.03407	9.8
117.05496	11.5
119.04944	4.6
120.26842	1.0
121.06503	2.4
127.03925	7.2
129.07040	1.3
134.03590	1.5
137.06013	1.3
144.05670	1.8
145.02864	29.9
147.04401	4.0
149.05960	4.0
155.04901	1.6
157.08627	10.2
159.08047	1.8
161.05963	1.7
162.03131	11.6
163.03923	1.9
172.05156	2.0
173.05975	2.2
174.03128	2.3
175.03961	7.1
176.04729	1.2
177.05490	100.0
178.05870	1.7
180.04176	1.0
182.82838	1.1
183.04666	1.2
187.07564	4.4
187.11191	1.1
195.06580	12.9
200.04674	2.1
201.05832	1.3
201.07532	6.1
203.06982	1.7
207.12134	1.5
215.07036	12.0
219.08539	1.2
233.08121	10.7
251.09167	31.3
269.10287	5.0
293.10208	3.4
296.44574	1.0
310.41458	0.9
315.12415	1.5
359.11237	5.4
395.07538	1.3
413.08060	1.1
413.21432	6.1
413.31454	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34525	0.8
55.39229	0.8
55.79882	0.8
56.96294	1.8
56.96567	27.8
57.36324	0.8
58.06593	0.9
69.51782	6.2
70.06594	1.2
71.95265	0.8
72.04508	0.9
72.08162	1.0
74.06066	1.5
74.24944	0.8
81.03397	1.2
84.96037	10.1
85.02901	3.3
97.96810	2.3
98.97588	54.0
105.06995	1.0
108.92823	0.8
110.97577	15.6
112.99177	4.2
115.04021	1.1
116.98634	15.8
118.28526	0.9
120.08095	1.5
124.99126	2.8
126.97137	0.9
127.03914	1.4
128.98615	15.6
130.06500	1.0
131.00174	2.9
133.40001	0.8
134.99719	4.7
136.06160	3.3
140.98596	3.6
143.00162	7.7
144.98024	1.5
146.99649	5.1
151.53557	0.8
152.98601	2.1
158.99670	9.7
161.01237	12.6
162.04141	1.2
162.99164	1.3
163.00743	0.9
163.03917	3.4
165.02275	1.0
166.08669	1.2
170.10698	0.9
170.99640	5.0
174.99103	1.2
177.00732	7.3
179.02257	1.9
182.99718	2.8
183.03212	0.9
185.01295	1.1
189.00693	2.8
201.00688	4.0
203.02296	1.1
207.01630	1.1
207.03307	3.1
211.02808	1.1
219.01756	25.1
223.12343	1.5
225.04315	2.2
227.02274	10.6
237.00528	1.5
237.02820	24.9
245.03300	9.2
251.02209	1.1
255.07040	0.9
261.04282	1.4
267.13376	1.7
269.03317	2.4
281.09915	1.7
293.03323	3.6
295.04868	1.3
305.03333	2.8
305.14923	1.1
311.04315	1.4
313.53546	0.9
327.07422	1.9
328.03659	1.0
341.05402	2.0
353.05441	100.0
354.05954	1.7
371.06464	28.2
394.08115	2.3
413.07166	1.6
413.12607	3.3
413.19083	3.0
426.23895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87737	4.1
55.01879	3.7
55.05500	6.1
56.96564	3.6
67.05511	11.2
67.21843	3.2
69.07069	5.4
71.55387	2.8
71.55816	3.9
79.05491	15.1
79.95722	3.6
81.07057	14.2
83.04985	3.9
83.08611	4.2
91.05479	12.5
93.07040	13.6
95.08607	7.4
97.02853	3.9
97.06535	3.7
97.10146	4.9
105.07030	11.8
107.04953	4.7
107.08595	14.1
109.10172	6.7
119.08582	8.2
119.62810	3.5
121.10146	5.0
131.08556	5.1
133.10158	11.4
143.54132	3.4
147.11688	5.2
149.09613	10.3
160.27971	4.2
161.09633	3.4
169.12219	3.4
171.00108	3.7
185.50882	4.0
186.17563	3.3
189.11320	3.9
198.33238	3.3
209.15361	3.5
247.59827	3.3
249.35393	3.7
257.18915	3.4
270.59814	3.2
275.20087	29.1
349.23752	100.0
412.28668	8.1
412.39041	7.6
435.89185	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	412.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01485	3.4
55.05516	5.8
56.96555	7.5
65.03938	3.9
67.05506	17.7
70.74435	7.1
72.08161	9.8
77.39428	3.6
79.05476	11.0
81.03434	6.7
81.07076	19.7
83.04995	4.6
83.08617	7.4
91.05485	18.5
93.07053	13.2
95.08613	5.8
97.06528	4.1
98.21418	4.3
105.07043	14.9
107.04970	5.0
107.08585	14.1
109.10149	5.1
119.08601	7.6
121.10146	5.8
131.08600	6.8
133.10146	10.8
142.02760	4.2
143.08572	4.0
145.10139	4.2
149.02319	14.8
149.09616	5.5
159.11574	4.4
161.88985	4.3
184.07413	7.2
193.04936	8.4
220.99669	4.1
233.11807	8.2
275.20187	32.4
286.40247	4.9
349.16983	6.5
349.23779	100.0
412.28482	4.9
412.33603	13.6
413.16028	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	412.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.6
55.05455	1.7
56.96521	1.2
65.03891	1.0
66.17435	0.6
67.05462	1.3
69.07003	2.1
71.04951	0.9
71.56129	0.8
71.56561	0.9
79.05508	3.3
81.07050	5.2
83.08553	0.8
84.08089	0.8
84.11108	0.6
85.02834	2.3
85.03319	0.6
90.75378	0.6
91.05488	27.2
91.06013	1.2
93.07049	8.5
95.04948	0.9
95.08540	2.1
97.02823	1.0
97.06488	0.8
98.09644	1.1
98.97532	2.0
99.04416	0.7
105.01893	0.7
105.06954	1.7
107.08599	3.6
108.08114	5.1
109.06454	1.6
109.10060	1.0
119.04947	15.6
119.08505	2.1
120.08053	0.9
120.85310	0.5
121.06505	2.9
122.06784	1.5
122.09625	0.9
127.03862	0.8
129.11267	0.6
132.93489	0.7
133.10080	1.3
134.09613	0.9
135.11661	5.4
136.11125	1.9
137.05986	55.8
145.04938	0.8
145.10077	0.8
148.11102	2.1
149.11961	0.7
149.13168	1.1
158.99644	0.7
161.13174	1.3
162.11584	1.1
162.12791	13.1
163.06061	0.6
164.07051	1.6
166.08586	1.0
167.06982	0.8
176.14334	0.8
177.00661	0.6
178.14488	0.8
178.15921	13.6
184.48889	0.6
192.10155	0.9
192.17375	2.3
224.24213	0.6
234.14798	0.6
239.10577	0.7
244.13379	4.0
262.76202	0.6
270.14624	0.7
272.16476	0.7
276.23221	2.5
284.16119	0.7
298.18033	16.0
300.19482	0.8
314.21149	100.0
315.21472	2.0
324.19968	0.7
342.20615	1.7
367.17801	1.1
412.28500	61.9
413.28979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.4
56.96570	2.8
58.06593	1.2
59.82155	0.9
60.04519	5.3
61.02911	1.2
69.03426	1.8
69.19879	12.3
70.06603	6.8
70.41857	1.0
72.04524	15.3
72.08164	34.2
79.05451	1.0
80.05032	1.2
84.08128	1.8
85.02920	2.7
88.11254	2.0
97.02878	1.3
98.20790	2.7
98.97598	6.7
102.10505	1.4
105.94984	1.3
106.06561	2.7
110.97672	1.2
114.09182	100.0
116.98692	1.5
119.16068	1.2
120.08144	1.9
120.49634	1.0
124.03971	1.3
129.24998	1.3
130.06528	15.9
132.08168	1.0
136.07504	1.5
137.06042	1.6
146.09656	1.8
148.11195	4.6
156.08052	1.8
158.99626	1.5
160.11253	1.2
163.03891	1.4
164.07095	3.0
177.00674	2.8
180.08122	2.4
183.79161	1.1
191.83267	1.0
194.09665	2.6
196.11252	2.4
204.08043	1.8
206.08002	1.3
206.09732	11.8
207.09172	5.4
207.15016	1.7
208.09886	2.6
219.01791	2.2
221.10738	12.1
222.11472	5.9
223.12317	19.7
234.11435	1.4
235.12186	2.3
237.02742	2.8
249.10265	4.0
254.10431	1.8
254.78807	1.2
262.14584	1.3
267.11285	9.9
275.15506	7.4
277.17020	2.2
285.12552	2.0
295.39722	1.2
299.13919	4.4
302.16760	1.4
303.14944	2.3
310.19254	1.6
320.17548	6.8
334.19040	1.3
336.20740	52.6
353.05542	4.6
362.18625	1.5
368.23422	4.2
380.19751	33.4
412.11545	5.3
412.22345	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	412.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.9
56.96550	1.2
57.03439	0.6
59.04991	0.9
61.89642	0.4
65.03952	0.7
65.16747	0.3
67.05503	2.6
69.03430	0.8
69.07066	1.2
70.06558	0.4
71.27189	0.8
79.05497	2.2
80.04999	0.5
81.03413	0.9
81.07066	3.5
83.04977	0.5
83.08624	0.6
85.02901	1.2
85.06564	0.6
87.04467	0.6
89.06045	1.1
91.05484	22.2
93.07038	4.9
94.06585	2.3
95.08611	1.2
97.02867	0.8
97.06519	0.8
98.09631	0.5
98.97578	1.3
105.07010	0.9
107.08611	2.6
108.08105	2.0
109.02860	0.8
109.06499	2.2
112.11232	0.5
115.05453	0.4
115.07552	0.4
115.44667	0.4
117.07032	0.5
118.88945	0.3
119.04942	15.6
119.08569	0.8
120.08079	0.5
121.06525	0.5
121.10184	0.8
122.06042	7.9
122.09650	0.5
123.04417	0.4
123.11682	0.5
124.07617	0.8
127.03943	3.2
131.08521	0.7
133.08694	0.6
133.10129	0.7
135.11665	2.3
136.11220	0.9
137.05980	64.6
142.08630	0.8
143.04869	0.5
145.10095	0.8
146.09653	1.0
147.10500	0.7
147.11679	0.7
148.11220	0.6
149.13297	0.6
151.07497	1.5
156.10107	0.5
161.13266	0.7
162.12782	41.2
163.14775	0.6
163.99432	0.4
164.07063	0.9
164.14359	1.2
165.09163	0.5
176.14417	0.8
178.15916	7.2
244.13374	0.8
260.12888	0.5
260.16409	0.7
265.13553	0.7
272.16599	0.5
276.23175	0.7
288.22870	0.4
298.18015	58.7
299.18359	1.0
300.19492	2.7
309.40100	0.4
314.21140	34.1
315.21411	0.6
321.12341	0.5
325.10492	0.5
342.20615	3.3
353.14972	0.9
371.16034	0.6
412.28497	100.0
413.28809	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97906	2.9
53.03947	4.8
55.01865	8.1
56.96569	2.5
57.03434	5.7
58.06600	7.7
58.12171	2.1
58.97199	2.9
61.02922	7.5
67.05508	4.1
68.99792	3.3
69.03432	54.4
69.07080	3.8
70.48503	5.4
70.48835	5.2
71.04984	3.9
73.02918	6.2
79.05499	3.8
81.03424	32.4
81.07055	6.2
83.04981	3.9
85.02911	100.0
87.00836	56.6
91.05509	5.3
95.08624	3.9
97.02908	25.7
97.06546	6.4
98.06840	2.9
98.97575	8.1
99.04430	12.4
100.57442	2.5
101.02361	3.1
103.03937	4.7
105.01878	84.1
105.07043	3.3
109.02890	32.9
110.97585	2.8
119.04971	2.9
121.06496	2.6
121.10154	2.5
123.04398	3.7
127.03925	68.1
137.06000	7.1
137.22070	2.8
145.04956	22.1
145.10123	3.4
157.10138	3.1
159.02934	5.4
175.07570	5.8
189.03871	3.1
198.94009	2.5
213.03908	2.7
219.01851	3.0
222.79182	2.7
231.04991	17.2
237.02910	3.0
253.07274	2.7
258.11423	3.1
270.08371	2.8
313.16470	5.5
323.06464	2.3
411.20193	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	50.5
59.05005	30.3
62.24722	1.0
65.48486	0.8
69.07053	3.8
71.08634	100.0
85.10188	56.3
89.06041	13.1
97.10136	0.9
101.09666	1.7
103.07573	3.8
105.07045	4.3
117.09170	5.6
122.09702	1.2
127.14837	8.8
131.07045	1.1
133.08615	11.9
151.09669	6.2
165.12776	1.9
185.19028	20.7
191.12805	6.2
209.13876	5.3
243.23204	12.0
249.16957	2.9
255.50745	0.9
308.83371	0.9
393.31979	8.3
410.31088	1.2
420.61975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01867	4.9
55.05500	3.1
56.96556	2.3
57.03428	7.9
58.06593	5.4
59.04995	2.0
61.02922	6.1
67.05493	2.9
69.03427	43.0
69.07041	2.2
70.70034	3.6
70.70372	3.6
71.01376	2.2
71.04985	4.5
73.02930	2.4
77.18275	1.8
79.05484	2.4
81.03416	23.0
84.08118	2.1
85.02908	100.0
87.00832	55.6
89.58530	1.7
91.05479	4.5
93.07030	3.4
95.04996	2.2
95.08619	2.8
97.02895	27.4
97.06550	3.5
98.97556	4.4
99.04455	8.8
103.03938	4.1
105.01867	72.1
105.07021	4.0
107.08565	2.4
109.02885	25.1
111.04416	2.1
121.10133	2.8
123.04417	3.4
127.03918	70.9
137.05984	6.0
145.04971	24.4
159.02966	3.1
178.08556	2.7
187.06000	2.9
189.03938	4.6
203.14278	1.9
213.04016	3.5
231.04926	14.0
249.06053	2.2
267.11914	2.5
281.13773	2.5
381.15149	4.4
411.15851	8.9
411.20560	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	410.2689
Annotation	Laxiracemosin H
Peak:m/z	Relative Intensity
51.02372	0.3
52.88871	0.3
53.03947	2.4
55.01877	0.3
55.05484	0.3
67.05493	0.4
69.03414	0.4
69.07055	0.6
69.86934	0.3
69.87247	1.6
73.88912	0.3
74.40161	0.3
77.03915	0.7
79.05483	0.4
81.03423	1.3
81.07066	0.5
85.02892	0.4
91.05486	10.2
93.07045	14.3
95.04961	2.9
95.08593	0.3
96.53663	0.3
98.97584	0.8
103.05469	10.1
105.04514	0.9
106.06557	1.2
109.10128	0.5
117.05762	0.4
118.06541	2.1
118.76921	0.3
120.08064	0.4
121.06506	72.4
122.06844	0.6
130.06494	0.4
131.07314	1.2
132.08075	1.4
133.08858	0.5
134.09648	0.4
137.05975	0.8
146.09602	1.4
160.11211	2.2
174.12813	0.4
176.14404	0.4
186.12732	0.4
202.15936	0.4
228.15895	0.3
244.20691	2.9
268.16998	0.4
272.20090	31.1
273.20404	0.3
290.21146	26.9
291.21494	0.4
329.21878	0.3
329.63956	0.3
410.26904	100.0
411.27356	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	410.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
58.06594	1.2
67.05513	0.4
68.05032	0.6
69.03415	0.4
69.32589	0.5
69.32988	2.0
70.06602	2.3
79.05491	0.5
81.07030	0.6
82.06584	0.9
84.08179	0.3
85.61857	0.4
91.05499	0.5
95.05050	0.3
95.26005	0.3
96.08134	0.4
97.06550	0.5
98.21465	0.5
98.97543	0.4
110.09688	0.6
112.11245	1.9
112.93103	0.3
115.05469	0.9
135.04430	0.4
137.05927	0.7
143.04932	2.7
151.07552	4.4
163.03925	0.8
165.06970	0.3
175.07567	1.1
176.07045	0.5
177.09290	0.3
178.08720	0.6
179.08571	0.3
181.06496	0.5
191.08612	0.4
195.08099	0.9
197.05952	0.3
206.07257	0.5
207.08076	1.4
208.08875	0.9
209.05925	0.4
209.09625	0.6
210.10371	0.3
211.07559	2.0
215.09489	0.8
216.10208	5.8
217.10951	0.7
219.08070	0.9
220.08887	0.5
221.06163	0.4
221.09743	1.1
222.06767	0.4
222.10454	1.0
223.07532	1.6
224.08383	0.9
225.09055	2.1
227.07141	0.5
228.07898	0.5
230.11813	2.4
235.07506	2.6
236.08353	1.3
237.09094	2.6
238.09972	1.1
239.07019	1.0
239.10678	2.0
240.07800	0.6
241.08687	1.4
247.07507	0.7
248.08301	0.7
249.09146	1.0
250.09990	2.0
251.07057	0.9
251.10725	4.0
252.07872	1.2
253.08586	2.9
253.12294	0.7
254.09468	1.4
255.06590	0.4
255.10199	1.9
256.07407	0.5
258.14859	2.4
259.15823	0.5
264.07864	0.8
265.08582	3.7
266.09515	1.1
267.10168	6.1
268.10944	1.0
269.08170	1.3
270.08868	1.5
271.09671	2.5
279.10196	4.9
280.10934	8.2
281.08160	2.5
281.11755	3.8
282.09390	0.6
282.12476	2.9
283.09695	1.2
283.12735	0.3
284.10495	2.0
285.11188	2.3
286.12143	0.6
296.10468	8.2
298.12021	1.3
299.12805	1.9
308.12955	0.4
311.12723	3.1
313.14227	0.9
340.31021	0.3
378.20596	0.9
380.18634	1.3
394.20398	0.6
410.23297	100.0
411.23688	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05521	17.1
57.07062	6.4
67.05507	18.6
69.07075	43.6
71.08655	2.4
71.42245	3.0
73.94180	2.0
79.05490	9.3
81.05941	1.9
81.07063	55.5
81.89122	2.2
82.76849	2.0
83.08621	20.6
91.05490	7.0
93.07054	21.9
95.08611	55.1
97.10170	8.8
105.07023	19.6
107.08603	28.8
109.09464	3.1
109.10160	39.3
111.11737	6.2
117.07050	3.5
118.13436	2.1
119.08599	21.9
121.10153	27.8
123.11723	27.2
131.08585	7.0
133.10156	19.6
135.11714	22.5
137.13283	20.0
145.10138	13.3
147.11702	16.7
149.13289	17.8
151.14877	3.8
157.10175	3.1
158.12329	2.3
159.11707	16.4
161.13248	13.7
163.14824	11.2
170.79712	2.2
171.11758	3.1
173.13324	8.5
175.14891	11.6
177.16386	8.7
185.13362	3.5
187.14859	9.1
189.16418	6.5
191.17967	8.1
199.14757	3.6
201.16469	6.3
203.17957	7.5
205.19498	3.7
215.17990	7.8
216.35419	2.2
217.19579	7.1
219.21106	2.7
229.19518	6.3
231.21143	5.9
233.69421	2.4
243.21126	6.6
245.22639	5.0
257.22696	6.2
259.24179	5.2
271.24207	6.7
285.25687	5.7
299.27383	5.4
313.29019	2.6
325.28986	5.0
327.30505	6.4
339.30319	2.8
353.31818	2.8
367.33582	3.1
409.38318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03928	1.1
55.05512	6.0
55.45800	0.9
56.03182	0.8
57.07075	7.6
66.80245	0.8
67.05504	16.3
69.06701	0.8
69.07063	14.8
69.59929	2.1
69.60341	4.4
71.08624	4.5
79.05494	7.2
79.30709	0.8
80.10558	1.0
81.07056	68.1
83.08627	6.2
85.10197	1.7
89.06024	1.7
91.05473	4.4
92.19732	0.8
93.07047	13.5
95.08605	100.0
96.08929	1.5
97.10155	4.2
98.86780	1.0
105.07035	9.5
107.08589	17.1
109.10159	36.2
111.11781	2.2
116.05334	1.0
119.08585	9.3
121.10147	17.8
122.10518	1.0
123.11700	23.1
125.13273	1.5
131.08530	2.1
133.10127	11.3
135.11697	17.1
137.13257	69.6
145.10136	3.9
147.11720	8.2
147.71352	0.9
149.13268	13.8
151.07544	1.5
151.14851	4.7
159.11635	4.9
161.13303	5.5
162.39471	1.1
163.14824	8.2
165.09114	1.7
173.13303	3.5
175.14885	5.6
177.16414	7.4
179.18005	2.6
187.14856	4.5
189.16417	5.8
191.17953	5.3
193.19569	3.3
195.12206	1.2
201.16457	2.4
203.17917	6.6
205.19536	3.1
215.18011	5.7
217.19495	6.1
219.21169	1.6
229.19597	6.9
231.21114	4.4
245.22572	1.0
257.22604	7.5
259.24210	10.9
271.24170	9.5
285.25726	3.5
302.09839	0.9
325.36307	0.9
353.31891	1.2
409.18454	1.2
409.38275	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	18.0
57.07079	8.9
67.05508	27.9
69.06794	3.3
69.07079	44.2
71.08620	2.9
72.90848	2.9
79.05488	11.3
81.07061	94.0
83.08627	18.9
91.05480	10.9
93.07044	25.8
95.08611	75.7
97.10168	6.7
105.07027	15.6
105.41165	3.4
107.08597	41.7
109.10161	51.0
111.11727	6.5
119.08573	25.1
120.56403	3.1
121.10148	34.0
123.11724	33.0
125.13238	3.6
131.08543	7.0
132.49155	3.1
133.10106	18.3
135.11693	26.7
137.13231	23.2
145.10138	9.1
147.11679	13.7
149.13278	23.4
151.14830	4.2
159.11731	11.9
161.13239	17.0
163.14861	13.9
171.11754	5.3
173.13277	11.1
173.45187	3.3
175.14853	14.9
177.16393	11.6
187.14818	8.9
189.16400	10.6
191.17892	4.2
195.12207	3.7
201.16434	5.7
203.17941	11.0
215.18004	10.3
217.19572	5.7
229.19539	13.7
231.21036	10.4
257.22623	11.9
259.24298	12.5
261.91931	3.2
271.24249	10.8
273.12015	4.0
285.25760	8.1
290.79910	3.7
296.62030	3.1
299.27435	4.5
302.10144	3.5
312.20706	3.3
313.29074	3.7
353.31979	6.2
355.65955	3.3
358.61044	3.5
409.38312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.05517	18.5
57.07077	6.8
59.04981	3.7
67.05508	29.1
69.07075	21.2
69.19025	2.6
69.30093	20.7
71.04983	12.4
71.13502	2.3
79.05498	18.5
81.07059	100.0
83.08619	12.6
85.06549	3.4
85.10204	4.0
89.06026	6.5
91.05487	26.8
93.06473	5.4
93.07044	92.6
95.04971	4.2
95.08613	89.8
97.06508	2.9
97.10159	10.5
98.20699	5.1
105.07038	59.3
107.08600	67.4
109.06517	6.3
109.10161	52.7
111.08068	12.5
113.00004	8.3
113.09621	6.4
115.00473	2.7
117.07020	7.1
119.08586	90.2
121.10154	57.4
123.11720	24.7
130.07797	2.5
131.08571	17.5
133.08627	3.2
133.10138	35.9
135.11713	30.9
137.09615	7.1
137.13252	9.3
143.08585	5.1
145.10121	27.9
147.11694	28.4
149.12048	3.5
149.13254	73.6
151.14894	4.3
157.10103	10.6
159.11710	32.2
161.13280	38.8
163.14838	29.5
171.03091	4.9
171.11699	11.1
173.13268	20.4
175.14850	24.5
177.12775	6.4
177.16406	8.4
185.13261	7.9
187.14824	18.4
189.16386	23.2
191.17941	7.8
192.69632	2.7
195.12259	4.6
196.12660	4.1
199.14778	8.3
201.16376	13.1
203.17966	16.5
213.16432	8.8
215.17947	10.0
217.19540	34.7
227.17961	8.8
229.19530	9.1
231.21054	15.8
239.17967	3.3
241.19531	4.9
243.21107	4.5
253.19540	2.9
255.21162	6.4
257.22589	11.4
259.24176	17.8
269.22766	3.5
281.22699	4.5
295.24249	4.5
351.30399	15.2
391.33624	25.7
409.34668	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03935	5.2
55.01866	4.3
55.05303	1.7
55.05517	18.1
56.80819	1.4
57.07079	9.1
59.04994	2.0
59.75804	1.5
63.62025	1.4
65.03938	3.9
67.05507	21.2
68.27982	1.5
69.03432	8.7
69.07056	7.2
70.07185	5.9
71.05016	1.9
71.08649	2.0
73.03676	1.4
79.05491	27.9
81.07059	42.7
83.04976	7.0
83.08625	3.2
85.06547	3.5
89.06023	2.6
91.05479	37.9
93.07051	56.8
95.04364	3.1
95.04971	54.2
95.08042	2.7
95.08614	33.3
97.06535	14.5
98.20898	2.2
103.05476	4.9
103.83479	1.7
105.04510	1.8
105.07037	100.0
106.07796	2.4
107.08599	28.9
109.06546	14.9
109.10159	16.1
111.08046	2.6
115.05482	3.8
117.07029	16.3
119.08590	67.4
121.06521	23.0
121.10154	18.4
123.08075	24.3
123.11729	2.1
125.06006	2.5
128.06238	7.8
129.07036	11.4
130.07782	6.4
131.08585	26.7
133.06480	5.4
133.08614	2.8
133.10129	26.5
135.08060	17.3
135.11691	6.9
137.09608	9.6
141.06984	5.4
142.07808	12.0
143.08574	21.0
144.09319	4.1
145.06512	3.5
145.10120	43.5
146.10974	1.9
147.08054	17.6
147.11679	36.4
149.09610	13.1
151.07550	21.4
153.07149	2.0
153.09129	2.8
154.07777	2.4
155.08557	12.5
155.10649	1.7
156.09377	9.1
157.10143	28.0
158.10899	3.8
159.08104	8.4
159.11711	19.4
160.08836	3.2
161.09622	9.7
161.10774	1.7
161.13269	5.4
163.11182	5.6
165.09117	32.7
167.08591	5.6
168.09302	5.9
169.10132	17.5
170.10843	3.0
171.11693	13.2
173.09621	5.6
173.13275	9.7
174.10300	2.7
175.11191	26.1
177.09129	4.6
179.08549	3.9
180.09262	1.7
181.10123	6.6
181.12186	4.6
182.10956	3.0
183.11691	18.2
185.13293	6.8
187.11203	5.3
187.14816	4.7
189.12798	8.1
191.14368	4.0
193.10201	3.1
194.10899	3.5
195.11700	5.4
196.12399	2.1
197.11641	2.0
197.13269	7.6
199.11197	3.0
199.14807	2.8
201.12781	14.4
201.16409	4.5
203.14325	15.2
207.11887	2.9
207.13799	11.0
208.12453	3.0
209.13281	5.3
209.15361	6.0
211.11281	1.8
211.14804	11.2
215.14346	3.2
219.13770	3.6
221.13498	3.9
221.15378	87.7
223.14905	3.2
225.16331	3.0
227.14104	3.0
229.15836	5.1
231.13745	3.3
233.15414	6.4
234.16188	14.7
235.14886	2.0
239.14406	2.2
241.15952	2.4
243.13858	2.1
249.16490	2.0
253.15887	3.9
269.18979	2.3
281.19034	1.9
286.19290	6.3
287.20047	9.5
300.20856	5.3
313.21460	1.9
329.21051	6.6
339.08859	2.0
353.20926	2.1
373.25302	3.1
391.26550	9.3
393.31760	2.0
409.27347	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63147	1.4
58.06572	1.6
59.99215	1.4
63.76676	1.3
67.16355	1.3
69.03443	3.5
69.20188	7.6
69.20618	6.3
70.06577	3.2
71.04996	2.2
81.03428	2.4
84.08152	1.6
85.02888	4.8
86.06083	1.5
86.09695	2.1
91.05480	2.9
97.02882	2.7
98.97588	2.9
105.07005	1.7
107.00065	1.3
119.05000	2.1
120.08125	2.0
121.06493	2.2
127.04031	1.4
137.05986	3.7
140.55890	1.3
146.06035	2.1
147.04465	3.3
159.08165	2.1
161.06065	2.9
164.07098	2.5
189.59628	1.4
233.10660	1.6
237.02910	1.8
242.09682	1.7
244.11221	4.6
245.10757	2.2
246.11351	2.0
247.12314	1.8
249.10341	1.7
254.09650	1.7
256.11209	4.1
257.10745	3.0
258.12552	2.4
259.12402	8.4
262.14386	9.9
268.11172	3.3
269.10635	2.4
270.11639	2.7
271.12292	6.5
272.10721	3.3
272.13245	3.5
273.10190	3.3
274.11136	1.9
283.12326	2.9
284.10532	2.9
284.13300	2.1
285.10269	6.1
285.13840	39.4
286.11118	5.0
286.14597	3.4
287.11798	13.6
287.15408	21.1
295.06155	1.6
297.13953	5.0
298.12164	1.8
299.11734	3.3
300.12546	7.2
313.13367	49.5
314.14038	4.6
315.14944	68.8
316.15228	1.7
325.07098	4.0
330.11081	2.2
331.14401	4.8
335.10123	1.9
342.11407	2.9
349.07904	1.4
359.13934	100.0
360.14453	2.3
367.08704	1.6
377.15030	74.6
409.10867	21.0
409.17429	30.2
410.18201	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.27589	1.9
53.03942	5.9
55.01877	3.1
55.05517	17.8
57.07074	7.2
59.04997	3.1
65.03936	2.9
67.05508	21.0
69.03427	9.5
69.07074	10.1
79.05492	24.4
81.03384	2.7
81.07062	39.9
83.04971	3.8
91.05492	31.8
93.07046	58.2
95.04977	54.9
95.08609	31.9
97.06535	11.9
98.20718	5.6
103.05442	3.4
105.07035	100.0
107.04887	2.3
107.08606	28.4
109.06519	14.8
109.10201	10.5
111.08121	2.1
115.05453	4.9
117.06998	17.2
119.04939	3.2
119.08578	62.8
121.06499	21.0
121.10143	19.8
123.08080	18.2
123.11684	4.3
125.05971	2.3
128.06206	3.9
129.07008	11.1
130.07808	5.2
131.08566	28.4
133.06493	5.0
133.10135	23.3
135.08043	16.8
135.11696	3.9
137.05873	2.5
137.09631	9.5
141.07016	3.7
142.07787	16.8
143.08585	22.5
144.09340	3.9
145.06425	3.0
145.10114	49.9
146.10922	2.2
147.08076	17.5
147.11691	35.9
149.09618	9.4
151.07544	18.5
153.07036	2.2
153.09085	2.8
155.08534	8.4
156.09354	5.5
157.10123	23.8
158.10880	4.0
159.08064	8.6
159.11705	17.7
161.09604	8.5
161.13239	7.1
163.11165	5.6
165.06972	2.6
165.09114	28.8
167.08560	5.2
168.09320	3.3
169.10191	16.1
170.10970	2.4
171.08020	3.0
171.11682	11.9
173.09691	5.0
173.13239	7.2
175.11215	24.9
176.22485	2.1
177.09114	6.1
179.08594	4.1
181.10182	4.3
181.12256	4.4
182.10986	2.2
183.11667	12.9
185.13283	7.5
187.11256	3.1
189.12769	5.0
191.14259	4.1
193.10049	3.0
194.10928	3.5
195.11751	4.9
197.13264	4.7
199.11314	2.7
201.12682	9.7
201.16368	2.7
203.14310	13.2
207.11879	3.2
207.13802	7.5
208.12607	2.5
209.13295	3.2
209.15326	5.0
211.14830	7.4
213.12802	2.8
215.14500	3.6
219.13763	2.5
221.13373	3.3
221.15355	72.2
223.14781	2.9
225.16322	2.1
229.15939	5.0
231.13786	2.9
233.15395	3.4
234.16154	16.7
239.14366	2.9
253.15930	5.6
286.19366	2.2
287.20020	6.0
300.20953	4.3
329.20941	6.4
391.26294	7.0
408.11948	3.8
409.13034	18.5
409.21786	2.7
409.27316	46.5
410.13123	3.8
427.29898	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	408.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.2
55.16391	0.9
57.03439	2.5
57.07080	100.0
58.07432	1.1
59.04710	1.3
59.05005	21.8
59.92268	0.9
63.03977	1.1
67.05486	2.1
67.64904	0.9
69.07074	2.2
69.95662	4.5
71.08636	88.2
73.02922	34.9
73.03330	0.6
80.70478	1.1
81.07060	2.2
83.08604	1.8
85.10188	78.7
86.10474	1.2
87.04462	2.3
89.06039	5.8
95.08611	2.3
97.10191	2.3
99.11749	14.8
103.07568	1.1
113.00022	62.8
113.13287	4.6
114.00382	4.1
117.09112	3.2
118.71249	1.0
120.26089	0.9
125.55714	1.0
133.08600	3.1
141.16353	3.0
151.09709	2.7
154.02649	1.2
155.17935	10.3
158.96902	1.0
161.08044	1.7
169.02628	61.0
170.02974	14.0
179.09128	3.0
182.26178	1.0
195.12292	1.3
199.20557	5.4
209.13846	1.3
213.22115	10.6
257.24823	4.1
363.31055	4.9
391.30429	2.2
408.35944	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.09
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	13.6
65.58846	1.4
68.34039	1.9
69.17323	1.7
69.84109	5.8
84.96017	6.8
98.20739	2.6
98.97589	51.8
105.07021	2.9
110.97565	21.2
112.99120	4.9
116.98622	11.6
121.02888	3.9
124.99144	2.2
128.98625	11.2
131.00180	2.5
140.98582	2.3
143.00153	6.5
144.98073	2.8
146.99603	1.9
152.00125	1.7
152.98596	3.5
155.00102	2.0
158.99631	9.7
161.01196	2.1
161.02750	2.7
170.99663	3.5
177.00630	4.0
177.02069	3.1
179.03859	17.2
182.42271	2.1
182.99640	1.6
191.03706	1.9
193.05214	2.2
195.02878	3.0
197.04929	8.0
201.00703	7.4
203.03653	3.4
219.01768	38.6
221.04863	18.3
237.02840	31.5
239.05885	2.2
249.04266	2.1
257.05133	1.8
263.05896	4.9
283.05991	3.4
295.06042	16.2
307.06250	2.4
309.07596	2.6
321.07559	3.8
323.08054	100.0
325.07086	7.1
335.09177	3.1
341.09119	60.7
349.06967	2.5
363.08273	3.0
365.09091	39.1
383.09958	5.6
391.08133	3.9
409.08975	67.0
409.17728	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	408.2536
Annotation	CHEMBL1821990
Peak:m/z	Relative Intensity
53.03939	0.7
55.01875	2.0
55.05516	1.1
57.03430	0.6
61.02919	0.4
65.03946	0.8
65.92991	0.3
67.05511	2.8
68.05815	0.4
68.48639	0.3
69.06094	0.3
69.07071	9.3
69.48970	1.6
69.49383	0.5
70.07413	0.5
71.04989	0.3
72.08147	0.5
73.02906	0.3
78.58729	0.2
79.05053	0.5
79.05496	6.9
81.07059	3.5
82.07411	0.5
83.08615	1.0
83.33093	0.3
85.02919	0.4
91.05488	14.5
93.07036	1.3
94.07382	0.5
95.05014	0.3
95.08611	5.0
96.08953	1.4
97.06538	53.7
97.10166	0.6
98.21471	0.7
98.97585	0.3
105.07022	1.6
106.07379	0.4
107.04970	0.9
107.08582	2.2
108.08913	0.6
109.06491	1.0
109.10165	2.9
110.10488	1.1
110.92206	0.3
117.07043	0.4
119.04948	9.3
119.05786	0.6
119.08581	1.8
120.08862	0.3
121.06505	0.3
121.10152	1.9
122.10488	0.9
123.11749	1.5
124.12020	0.5
131.08575	0.6
133.06508	1.0
133.10118	1.8
134.10495	0.5
135.04408	1.5
135.11707	1.3
136.12012	0.6
137.05986	51.9
137.13248	1.0
138.13603	0.5
145.10139	0.5
147.04417	6.0
147.11693	1.2
148.12024	0.6
149.05946	1.4
149.13251	0.6
150.13632	0.5
159.11757	0.6
161.13245	1.0
162.13612	0.6
163.07568	0.5
163.14813	0.4
164.06972	0.4
173.13301	0.6
176.14291	0.5
177.16362	0.6
178.16682	0.3
184.07475	0.3
189.09122	7.0
189.16377	0.8
190.16615	0.5
191.17955	0.6
192.18286	0.9
197.68985	0.3
201.16389	0.5
203.18011	0.8
204.18272	0.5
215.10751	0.4
217.19545	0.9
218.19945	0.8
229.19484	0.7
230.19803	0.6
233.11748	11.9
255.21115	0.5
256.21396	0.9
258.23117	0.6
269.22726	0.4
270.23041	0.6
322.11600	0.4
367.17761	0.6
376.11713	0.8
407.36725	0.6
408.25293	100.0
408.36673	7.8
409.25656	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66175	0.9
55.01896	4.6
55.05506	1.4
56.96558	1.5
57.03429	2.9
67.05491	4.1
69.03421	1.2
69.07073	6.4
70.06587	4.2
71.08230	1.5
71.08551	1.0
79.05500	7.1
81.03435	1.1
81.07053	6.3
83.04986	1.7
83.08627	1.4
85.02907	5.8
86.09695	2.8
91.05479	6.2
93.07037	6.0
95.04953	3.3
95.08605	2.0
97.06521	4.5
98.97580	8.3
105.07037	2.6
107.04982	2.1
107.08581	5.7
109.02943	1.2
109.06502	6.3
109.10154	3.6
109.91238	0.9
111.04443	2.8
111.08075	2.4
113.02411	1.7
115.05450	2.1
116.98591	1.7
117.07048	2.5
119.08578	1.5
120.08080	1.2
120.08935	0.9
121.06508	4.0
121.10105	2.3
123.08052	1.4
123.11709	1.2
125.09624	1.2
131.08673	0.9
133.10150	2.1
135.08057	3.7
137.05971	5.7
139.07558	3.1
153.09166	1.5
158.99655	1.9
163.07578	2.9
164.07076	100.0
165.12764	1.3
173.13255	1.2
181.08598	16.3
192.06520	1.9
199.09673	8.3
209.15298	1.1
216.06621	1.8
219.01753	1.9
229.15353	1.5
230.08148	1.2
232.13373	2.2
237.02829	1.0
246.07835	1.0
258.11475	1.0
267.84680	1.0
269.84113	1.0
270.11420	1.1
272.12854	2.4
276.08673	1.9
283.12073	1.5
300.11813	1.0
304.11716	1.8
307.12112	2.5
318.13321	17.3
325.13104	2.4
330.13425	2.3
344.14795	2.0
354.13187	3.1
372.14453	45.7
373.14661	1.4
380.08804	1.4
390.15482	33.7
391.07864	1.6
408.07913	5.8
408.19193	1.7
409.18335	3.7
427.16281	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	408.1655
Annotation	His Asp His
Peak:m/z	Relative Intensity
55.01877	0.4
55.05512	1.0
57.03434	0.7
66.46140	0.3
67.40159	0.4
69.03434	12.1
70.48037	1.0
71.04972	0.4
79.05486	0.4
81.03411	0.4
81.07065	1.0
83.04985	2.1
84.08194	0.4
85.02913	7.6
87.33457	0.3
91.05470	1.0
93.07021	0.8
95.01337	9.2
95.04980	0.4
97.02878	1.1
97.06522	0.6
99.04453	1.6
103.03960	0.6
109.06504	1.0
110.09682	0.5
111.04454	0.5
111.51652	0.3
113.02354	0.6
115.05438	0.6
117.07028	1.2
118.06573	2.9
119.04960	0.7
121.06529	0.9
123.04435	1.0
125.06060	0.6
127.03991	0.4
129.06953	0.7
131.04924	1.0
135.04417	0.3
136.07622	0.4
137.05968	2.7
139.07552	7.8
141.05450	0.5
145.06461	2.6
146.04993	0.5
146.06030	5.7
147.04407	2.8
149.05984	2.5
151.06285	0.9
151.07443	0.5
152.07114	0.4
155.07034	1.0
157.08557	0.5
161.06006	3.1
162.05469	0.9
162.06775	2.2
163.06279	2.0
163.07562	2.9
164.07083	10.7
165.05521	0.6
166.08678	0.4
167.07051	7.1
169.06450	0.4
169.10139	0.6
173.05989	8.7
175.07536	2.0
176.07060	0.8
177.07774	0.5
180.10233	1.7
187.07532	1.3
190.08675	0.7
191.07039	0.6
197.09618	0.8
203.10580	0.5
209.09740	0.4
215.10663	3.8
216.11485	1.5
217.12231	1.3
218.11732	1.0
229.07111	0.8
232.13332	1.9
233.14064	0.5
391.13766	0.7
408.16550	100.0
409.16867	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1655
Annotation	His Asp His
Peak:m/z	Relative Intensity
55.05502	1.4
57.03447	0.5
59.52058	0.3
67.05502	0.6
69.03082	0.6
69.03437	11.0
70.31618	0.4
70.31976	1.0
71.04979	0.5
79.62557	0.3
81.03416	0.4
81.07062	1.0
83.04972	1.4
85.02908	7.9
91.05477	1.3
93.07043	0.7
95.01337	9.5
95.04981	0.7
97.02902	0.9
97.06517	0.6
99.04462	1.8
103.03941	0.6
103.05428	0.4
109.02872	0.4
109.06505	0.9
109.07193	0.3
110.09717	0.3
111.08083	0.5
113.02329	0.4
115.05467	0.6
117.07030	1.5
118.06548	2.8
119.04915	0.3
121.06494	0.6
123.04446	1.1
125.05994	0.6
127.03905	0.4
127.07599	0.4
131.04947	0.9
137.05995	3.1
139.07541	9.1
141.05475	1.0
142.06534	1.4
144.05740	0.5
145.06485	2.0
146.06032	4.9
147.04422	2.5
149.05997	2.1
151.06320	0.4
151.07515	0.4
155.05022	0.3
155.07008	0.8
157.06494	0.8
157.08673	0.4
160.07594	1.5
161.05974	2.8
162.05542	1.0
162.06793	2.3
163.06297	1.5
163.07590	1.6
164.07066	9.6
164.08383	0.6
165.05450	0.7
166.08659	0.7
167.07040	6.1
169.10121	0.5
173.05998	7.7
174.06795	0.4
175.07570	1.5
176.07066	1.0
177.07939	0.4
180.10220	1.3
186.06700	0.5
187.07570	1.2
188.07050	0.4
189.05530	0.3
190.08676	1.0
191.07008	0.5
197.09712	0.6
201.09238	0.6
203.10730	0.6
215.10699	3.3
216.11475	1.2
217.12178	1.6
218.11931	0.7
229.07098	0.6
232.13371	1.3
233.14149	0.4
234.14972	0.8
338.45587	0.3
364.14072	0.8
391.13998	0.6
408.16568	100.0
409.17026	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05494	2.0
57.03417	0.9
62.73030	0.5
69.03075	0.7
69.03430	9.3
69.07062	0.9
69.99748	1.9
70.06578	0.8
71.04980	0.7
72.08144	0.6
79.05489	1.0
80.61430	0.4
81.03431	0.6
81.07050	1.2
83.04980	1.5
84.04498	0.6
84.08156	0.7
85.02896	6.3
86.09648	0.5
91.05459	1.8
93.07018	1.3
95.01333	8.7
95.01898	0.4
95.04955	0.6
97.02891	1.0
97.06540	0.6
99.04439	2.0
103.03963	0.8
103.05470	0.8
103.13287	0.5
109.06487	1.4
111.04416	1.2
113.05927	0.5
115.05506	0.6
117.06993	1.4
118.06563	2.4
121.06503	1.9
123.04412	1.4
128.06229	0.5
131.04924	1.6
131.94215	0.4
137.05936	4.5
139.07530	7.2
141.05481	0.6
141.07005	0.6
145.06477	2.5
146.06015	4.7
147.04405	2.6
149.05957	4.3
151.06242	0.6
151.07515	0.6
152.07089	0.6
154.07736	0.5
155.07068	0.5
161.06004	3.6
162.05547	1.2
162.06787	1.7
163.06277	1.8
163.07570	2.5
164.07068	16.5
166.08679	2.7
167.07074	5.6
169.06491	0.5
169.10107	1.5
173.05971	8.6
175.07574	2.0
176.07062	1.6
177.07898	0.8
180.10165	2.0
187.07536	1.2
191.07111	0.9
197.09636	1.2
201.09126	1.2
203.10559	0.9
215.10640	5.4
216.11426	1.4
217.12149	1.4
218.11746	0.5
229.07031	0.7
232.13310	1.7
233.41571	0.5
234.14824	0.5
255.08492	0.8
274.10135	0.6
317.06097	0.5
325.10730	0.5
390.15466	0.8
401.27985	0.5
408.16489	100.0
409.11554	0.7
409.16891	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	408.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05515	1.2
56.28413	0.6
57.03434	1.6
58.21683	0.6
61.02920	3.1
69.03432	14.2
71.15939	1.4
73.02924	1.3
81.03424	1.2
81.07060	1.2
83.04984	1.6
83.11855	0.6
85.02907	13.1
89.14550	0.7
91.03896	1.0
91.05506	1.2
95.01337	8.7
97.02893	3.6
97.06527	1.0
98.97578	0.8
99.04453	2.8
101.00890	2.0
108.04447	0.7
109.02914	1.1
109.06512	1.1
110.71452	0.6
116.46115	0.7
117.07031	1.1
118.06561	2.8
119.01918	1.4
119.04987	1.1
121.06485	1.4
123.04436	28.9
127.03925	2.4
131.04930	1.2
137.05986	4.9
139.07544	9.3
141.05458	1.0
143.01909	1.7
145.01685	0.8
145.04991	1.8
145.06514	2.0
146.06032	4.6
147.04347	0.9
149.05984	1.7
151.06329	1.0
151.07555	1.1
152.07095	5.3
154.08650	0.9
155.07088	1.0
161.02992	1.3
161.05981	3.4
162.03271	0.8
162.06779	2.6
163.06375	1.3
163.07581	3.0
164.07086	11.2
166.08615	1.1
167.07057	7.9
173.02966	0.9
173.06003	7.5
175.07565	1.7
176.07079	1.2
180.10216	1.5
187.07587	0.8
190.08655	0.9
200.08600	0.8
203.03928	1.1
203.10709	1.0
205.54654	0.9
215.10703	2.7
216.11478	1.9
217.12320	1.5
221.05154	0.8
232.13327	1.7
255.10130	0.9
284.10611	1.0
286.57367	0.8
287.07050	1.6
302.11703	3.5
320.12564	1.7
334.03571	1.3
348.11737	0.8
349.06256	1.4
351.06369	0.9
366.13193	1.5
389.27606	0.7
408.16547	100.0
409.16708	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3677
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03952	2.8
55.05517	10.0
57.03434	1.8
57.07063	6.4
62.01357	1.5
65.03955	2.1
67.05232	1.6
67.05514	21.4
69.03423	2.7
69.07076	18.1
71.56930	2.0
77.29076	1.9
79.05493	11.1
81.03413	3.3
81.07065	36.4
83.08620	8.7
84.04495	2.3
85.02905	4.2
86.09698	5.5
91.05502	9.5
93.07054	20.4
94.25143	1.5
95.08615	76.1
97.06567	3.1
97.10182	5.6
99.04459	2.0
105.07030	23.7
107.04992	2.0
107.08599	40.9
109.10166	62.3
110.07137	1.9
111.11724	2.1
117.07030	4.6
119.07794	2.5
119.08594	32.2
120.08103	3.7
121.10147	36.0
123.11714	23.0
126.96965	1.6
127.03851	1.8
131.08577	8.1
133.10144	34.1
135.04382	1.9
135.11713	24.9
137.05916	1.5
137.13304	15.8
143.08580	2.9
145.10127	9.8
147.04405	1.7
147.09187	4.5
147.11713	22.1
149.13287	15.9
151.14815	2.9
157.10112	3.8
159.11710	13.7
161.13261	19.7
163.14835	13.0
165.16512	1.7
171.11685	4.3
171.15118	1.7
173.13231	8.5
175.14842	15.0
177.16402	13.3
179.18034	2.9
180.10120	1.9
185.13257	2.3
187.14784	8.8
189.16406	23.9
191.17943	18.4
199.14874	3.9
201.16406	14.8
203.17973	19.3
205.19493	4.7
213.16493	4.0
215.17947	10.3
217.19539	33.3
219.21150	2.9
220.07404	1.6
227.18011	4.3
229.19516	9.7
231.21086	7.1
241.19557	3.9
243.21190	4.3
245.22665	2.9
255.21048	9.1
257.22723	6.9
269.22696	11.6
271.24069	2.0
283.24258	3.3
297.25708	3.4
404.16638	1.7
407.13052	4.1
407.18353	6.8
407.36749	100.0
408.36877	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03936	1.6
54.94311	1.1
55.05514	10.6
56.96558	1.9
57.07076	7.4
65.03965	1.5
67.05503	20.7
69.03426	3.3
69.07072	18.6
71.08622	1.1
71.56922	1.1
77.03934	1.5
79.05490	11.3
81.03416	2.9
81.07058	44.5
83.08624	9.6
85.02899	4.3
91.05487	12.6
93.06480	1.9
93.07047	27.2
95.04968	2.6
95.08611	78.7
97.02888	2.8
97.06522	2.6
97.10168	6.9
98.97604	3.8
99.04417	1.4
105.06383	2.2
105.07037	28.0
107.04936	1.7
107.08597	42.8
109.02875	1.3
109.10159	56.6
110.32816	1.2
111.07924	1.1
111.11699	3.3
117.07011	3.4
119.04972	1.6
119.08588	46.0
121.10145	40.9
121.11025	2.0
123.11712	24.2
127.03924	1.9
127.56819	1.4
129.06978	1.4
131.08562	7.9
133.10135	37.7
135.11696	27.3
137.05981	4.0
137.13258	15.1
143.08588	3.1
144.30978	1.3
145.10118	11.5
147.11693	30.4
149.13264	13.6
151.14876	2.6
157.10135	4.5
159.11681	12.6
161.13263	28.3
161.14590	1.9
163.14810	11.3
167.07053	1.5
171.11714	4.5
173.13304	7.7
175.14821	15.3
177.16373	15.8
179.17828	1.5
183.08034	1.2
184.07339	3.5
185.13300	3.3
187.14775	10.1
189.16364	23.3
191.17955	18.0
199.14854	3.4
201.16400	13.0
203.17970	26.9
205.19490	4.9
213.16405	4.1
215.17889	9.5
217.19508	44.3
220.21722	1.4
227.17940	3.8
229.19580	8.4
229.21460	1.4
231.21193	4.5
241.19539	3.8
243.21104	5.5
245.22667	4.3
248.66068	1.3
255.20976	5.8
257.22653	6.6
269.22617	9.8
271.24207	1.4
283.24197	3.5
292.61615	1.2
297.25705	2.2
326.13956	1.7
345.22430	2.5
407.20465	4.0
407.25522	3.4
407.36728	100.0
408.25342	4.5
408.36740	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05503	9.7
57.07074	8.0
59.40639	2.1
66.33624	2.2
67.05240	1.9
67.05516	18.8
69.07073	23.5
70.12589	8.2
71.08634	3.0
79.05495	6.5
81.06585	3.4
81.07063	59.8
83.08636	8.3
89.06046	4.9
91.05479	8.6
93.07059	26.0
95.08617	63.6
97.10199	4.3
98.20715	2.3
105.07046	22.8
107.08598	40.8
109.10169	45.9
111.11699	3.0
113.00050	6.4
117.07057	4.6
119.08585	25.6
121.10150	33.2
123.11714	22.8
131.08589	9.6
133.10123	18.2
135.11716	21.2
137.13264	21.2
141.83655	2.1
143.08577	3.4
145.10156	16.0
147.11678	18.5
149.13254	17.9
151.14836	2.2
156.09450	2.7
157.10123	6.3
158.55118	2.4
159.11700	25.6
161.13298	18.5
163.14793	11.2
169.02707	3.4
171.11740	6.1
173.13310	13.3
175.14885	13.0
177.16397	13.4
185.13220	6.5
187.14888	14.9
189.16373	13.8
191.17967	8.2
199.14737	5.9
201.16426	10.1
202.17101	2.8
203.17917	11.2
211.14743	2.9
213.16357	6.0
215.17848	12.3
217.19547	7.6
227.17992	6.7
229.19580	10.9
231.20941	2.8
241.19620	2.8
243.20985	2.9
255.21054	4.7
257.22574	7.7
269.22647	8.2
271.24411	3.2
283.24341	4.6
297.25882	5.2
325.28827	5.8
337.28757	2.8
377.07672	2.6
407.36765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03937	1.7
55.05513	12.8
56.65511	1.1
57.07084	7.8
60.14553	1.0
65.03925	1.9
67.05506	21.2
69.07072	38.5
70.06586	1.3
71.08633	3.0
71.42178	1.5
71.42529	1.3
72.66184	1.0
78.23491	1.0
79.05493	10.0
81.07059	75.9
83.08613	14.2
86.32583	1.0
89.06020	2.1
91.05483	9.5
93.07050	24.9
95.04980	1.3
95.08610	55.4
97.10191	9.0
100.53461	1.1
103.78180	1.1
105.07030	24.2
107.07862	2.1
107.08591	31.8
109.10159	47.4
109.91919	1.0
111.11720	4.7
113.00027	4.1
115.05469	1.0
117.06998	4.9
119.08585	26.6
121.10148	32.8
121.11027	1.6
121.95511	1.1
123.11705	21.6
125.13268	1.4
129.07030	3.3
131.08569	10.6
133.08640	1.3
133.10124	19.7
133.11084	1.5
135.11697	21.2
137.13254	9.5
141.07059	1.0
141.10236	2.7
142.07857	1.5
143.08543	5.3
144.09291	1.3
145.10109	17.4
147.11705	19.3
149.13263	17.7
151.14856	3.0
155.08617	1.5
156.09390	2.4
157.10120	10.2
158.10927	1.7
159.11700	24.1
161.13260	14.9
163.14819	8.4
165.16464	1.3
169.02666	4.0
169.10094	2.8
170.10947	1.9
171.11734	8.6
172.12549	1.3
173.13268	16.9
175.14847	11.8
177.16357	8.9
183.11670	2.0
185.13251	10.5
187.14836	16.2
189.16394	11.9
191.17979	5.4
197.13232	3.3
199.14806	6.7
201.16400	11.6
203.17998	10.7
205.19502	1.4
211.14861	2.8
212.15468	1.0
213.16342	10.0
215.17931	9.6
217.19588	4.1
225.16402	2.4
227.17950	9.5
228.18738	2.1
229.19505	10.6
231.21111	2.7
239.17703	1.6
241.19586	3.8
243.21173	3.9
253.19557	2.3
255.21115	4.7
257.22696	6.2
267.21060	2.7
269.22647	8.1
271.24194	2.6
273.22665	1.2
281.22708	3.3
283.24310	6.1
285.25790	1.1
295.24326	2.3
297.25803	4.6
309.25800	1.6
311.27417	1.6
323.27484	3.0
325.28934	6.3
337.28906	4.4
338.29959	1.5
351.30481	4.5
365.31955	3.1
407.36725	100.0
408.37009	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03932	1.0
55.05509	9.0
57.07077	4.4
65.03925	1.0
67.05506	16.2
69.07071	18.5
71.08630	1.4
71.26482	1.2
79.05494	8.7
81.07059	38.6
83.08200	0.9
83.08627	9.3
91.05471	7.2
93.07045	19.0
95.08610	69.5
97.02922	1.1
97.10160	5.1
105.07030	21.3
107.08598	35.3
109.10161	42.5
111.11730	3.9
117.07027	2.4
119.08582	25.5
121.10148	26.9
123.10818	1.3
123.11710	19.9
131.08566	6.4
133.10135	23.1
135.11694	19.3
137.13260	16.5
143.08575	3.3
145.10130	13.1
147.11700	16.8
149.13271	14.6
151.14781	2.2
153.24109	1.0
157.10124	4.1
159.11702	15.4
161.13281	15.0
163.14827	11.3
171.11690	3.7
173.13234	9.0
175.14835	9.8
177.16376	16.3
179.17921	1.4
183.11798	1.0
185.13263	2.4
187.14812	8.4
189.16396	14.8
191.17970	13.6
199.14812	3.6
200.15623	1.1
201.16403	16.0
203.17961	23.4
205.19502	6.0
211.14853	1.1
213.16379	3.5
215.17970	10.5
217.19501	18.4
219.21094	2.1
227.17949	3.7
229.19519	10.1
231.21040	8.1
239.17946	1.1
241.19456	4.1
243.21043	4.6
245.22604	2.8
250.76518	0.9
255.21054	10.3
257.22623	7.0
267.08942	1.4
269.22626	11.3
271.24213	3.2
283.24237	4.2
297.25745	3.8
309.25623	1.8
311.27295	1.3
323.27475	1.0
337.29013	1.5
351.30450	1.4
365.32016	1.1
392.64734	0.8
407.36737	100.0
408.36929	1.8
431.02783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05510	11.2
56.96565	2.6
57.07066	4.1
65.03942	1.7
67.05171	1.7
67.05504	21.2
69.07066	27.4
71.08629	1.3
71.55244	0.9
77.79393	1.0
79.05499	10.3
81.03428	1.4
81.07056	46.6
83.08617	10.8
85.02875	1.1
88.32824	1.1
91.05477	10.0
93.06471	1.4
93.07047	23.9
95.04956	1.8
95.08607	89.8
97.06521	3.5
97.10169	6.7
97.75001	0.9
98.97585	1.8
105.07034	25.0
106.35205	0.8
107.08600	36.5
109.10158	52.8
111.11721	4.1
116.98626	0.9
117.07014	3.5
119.08585	28.9
121.10147	32.0
123.10818	1.6
123.11707	25.9
125.13249	1.4
127.03900	1.5
129.07011	1.9
131.08557	9.7
133.10130	30.0
135.11691	18.6
137.05988	4.6
137.13257	15.0
142.07758	1.0
143.08560	4.6
145.10123	12.5
147.11682	21.8
149.13260	14.8
150.21008	0.9
151.14818	4.1
155.14128	0.9
157.10132	5.3
159.11682	16.4
160.12357	1.1
161.13261	20.3
163.14801	11.1
171.11681	5.6
172.12482	1.9
173.13258	9.8
175.14841	10.1
177.16374	15.3
179.17938	3.8
185.13321	4.6
186.14090	1.3
187.14844	10.3
189.16379	23.3
191.17953	18.0
197.13362	1.3
199.14816	3.9
201.16380	15.6
203.17969	18.4
205.19516	4.8
211.14774	1.1
213.16383	4.2
215.17978	10.1
217.19508	24.5
219.01886	1.2
227.17972	5.3
229.19531	13.8
231.21112	5.4
241.19482	6.2
243.21059	7.5
245.22530	1.3
253.19470	1.5
255.21065	16.0
257.22659	15.5
269.22629	12.3
271.24225	4.2
283.24265	4.8
285.25620	1.1
297.25790	3.7
309.25751	1.6
311.27225	1.0
323.27246	1.5
337.28793	1.6
345.22598	3.9
351.30502	2.0
365.32281	1.3
389.24951	1.5
407.25189	8.6
407.36719	100.0
408.16544	1.0
408.25186	5.5
408.36957	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05513	11.8
57.07065	4.5
61.54265	1.1
65.03951	1.5
67.05514	14.6
68.56466	1.3
69.07068	16.8
70.03130	4.6
71.08602	1.6
79.05504	6.4
81.07060	39.6
83.08639	9.4
91.05485	8.0
93.07057	17.0
95.08614	69.1
97.10171	4.6
98.22436	1.4
105.07034	21.1
107.08603	35.2
109.10163	47.4
111.11728	4.0
112.45345	1.6
117.07020	1.4
119.08579	26.7
121.10152	26.8
123.11718	21.3
126.46348	1.2
131.08563	7.4
133.10143	25.0
135.11716	20.3
137.13260	15.6
142.07817	1.4
143.08583	2.1
145.10146	11.6
147.11697	16.8
148.76941	1.3
149.13284	14.9
151.14870	2.0
157.10136	2.8
159.11707	15.1
161.13258	15.7
163.14848	11.6
171.11621	3.8
173.13271	8.2
175.14844	10.1
177.16415	15.8
179.17964	4.2
185.13274	4.7
187.14862	7.8
189.16386	20.5
191.17952	16.6
192.92487	1.6
197.13255	1.4
199.14856	3.2
201.16412	14.1
203.17966	22.0
205.19519	5.7
211.14868	1.6
213.16403	3.6
215.18059	10.0
217.19513	22.2
225.16360	1.3
227.18044	3.9
229.19568	12.9
231.21095	5.8
238.96469	1.4
241.19458	6.1
241.97400	2.6
243.21063	7.7
245.22723	1.5
255.21092	13.5
257.22601	9.2
266.08087	1.3
269.22577	10.7
271.24310	3.2
283.24222	4.0
297.25916	3.6
311.27286	1.5
323.27493	1.4
337.29025	1.5
351.30270	2.0
358.55914	1.4
360.00797	1.5
361.05832	4.5
379.07266	2.1
407.18591	2.1
407.24121	58.9
407.36707	100.0
408.24649	2.1
408.36890	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	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05516	4.7
56.96559	1.2
57.07093	2.9
67.05511	9.4
69.03411	0.8
69.06728	0.7
69.07079	10.7
70.06592	1.8
70.49262	1.9
71.08642	0.8
71.51968	0.6
73.09635	0.5
73.76531	0.5
79.05495	4.9
81.07065	19.0
83.08618	4.2
84.08140	0.6
85.02924	0.7
88.32780	0.6
91.05483	4.4
92.72204	0.6
93.07050	9.4
95.08617	36.1
97.06526	0.5
97.10184	2.5
105.07037	10.5
107.08605	16.1
108.38589	0.5
109.10168	24.9
109.10928	1.2
111.11727	1.3
117.07036	1.1
119.08591	16.3
121.10149	16.3
123.11718	11.7
126.43501	0.6
127.03896	0.8
129.07013	1.0
131.08597	2.8
132.10260	1.0
133.10135	15.5
133.11090	1.1
135.11702	9.8
137.13268	6.8
143.08557	1.6
145.10153	5.4
146.11812	0.7
147.11702	11.1
149.13266	7.4
151.14822	1.0
155.14352	0.7
157.10172	1.9
159.11714	7.5
161.13252	9.1
163.14827	5.2
168.45451	0.5
171.11700	1.5
173.13268	4.6
175.14851	5.9
177.16425	8.5
179.17882	1.0
181.52464	0.6
185.13246	1.4
186.14000	0.6
187.14841	4.2
189.16397	11.1
191.17972	6.7
199.14848	1.6
201.16391	7.5
203.17978	8.9
205.19572	1.9
211.14900	0.8
213.16391	2.6
215.17969	5.6
217.19537	12.5
220.98331	0.5
225.07925	0.7
227.18004	1.7
229.19551	4.6
231.21127	2.8
237.02759	0.7
241.07425	0.7
241.19548	2.5
243.21162	3.6
245.22791	0.6
255.21048	4.1
257.22559	3.7
267.09027	1.3
269.22623	5.3
271.24255	1.0
283.24213	2.0
285.10077	0.9
297.25851	1.8
300.28888	0.9
301.29285	5.6
309.16736	1.5
311.27643	1.2
323.27197	0.7
345.31967	2.4
349.16812	1.7
364.31406	0.7
365.32208	0.7
367.17972	1.0
407.24100	100.0
407.36496	54.3
408.24454	2.2
428.68109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2796
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03949	3.5
55.05526	20.1
56.66343	3.8
56.96558	4.0
57.03467	5.8
57.07071	3.7
63.55378	3.4
65.03948	4.2
67.05509	44.5
69.03406	4.9
69.07074	19.7
69.33449	35.1
71.05001	4.8
73.86460	4.6
79.05495	35.7
81.07066	48.7
83.04986	4.0
83.08584	4.7
84.04462	4.0
91.05489	47.3
93.07056	45.0
95.04947	5.2
95.08617	54.9
97.10174	10.5
98.21542	8.5
105.07046	65.1
107.08580	25.8
109.06530	4.7
109.10166	20.5
117.07018	19.7
119.08579	46.9
121.06470	4.0
121.10168	20.6
123.11723	11.8
129.06992	11.5
130.05043	6.9
131.08583	32.4
133.10172	23.6
135.11702	14.4
137.13239	5.5
141.07076	5.5
143.08586	15.4
145.10147	27.5
145.11116	4.4
147.08052	4.0
147.11635	9.1
149.13277	6.0
153.40108	4.0
155.08542	7.4
157.10150	7.9
159.11685	13.4
161.13191	8.9
163.14844	7.1
169.10193	7.2
171.11597	5.3
173.13257	5.5
177.16463	4.6
189.16373	6.7
191.18039	5.3
197.13278	6.1
199.15005	4.1
201.16422	5.7
203.17937	11.0
211.14798	6.0
215.17888	3.9
217.19508	9.6
229.19489	4.8
247.16769	4.7
255.21181	6.2
294.88251	4.3
317.17697	5.3
325.25543	4.3
335.23859	4.8
343.26544	6.2
353.24792	20.9
371.25989	40.2
389.26895	100.0
389.34732	4.5
407.24692	4.0
407.36728	35.3
433.46408	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	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05516	4.7
56.96559	1.2
57.07093	2.9
67.05511	9.4
69.03411	0.8
69.06728	0.7
69.07079	10.7
70.06592	1.8
70.49262	1.9
71.08642	0.8
71.51968	0.6
73.09635	0.5
73.76531	0.5
79.05495	4.9
81.07065	19.0
83.08618	4.2
84.08140	0.6
85.02924	0.7
88.32780	0.6
91.05483	4.4
92.72204	0.6
93.07050	9.4
95.08617	36.1
97.06526	0.5
97.10184	2.5
105.07037	10.5
107.08605	16.1
108.38589	0.5
109.10168	24.9
109.10928	1.2
111.11727	1.3
117.07036	1.1
119.08591	16.3
121.10149	16.3
123.11718	11.7
126.43501	0.6
127.03896	0.8
129.07013	1.0
131.08597	2.8
132.10260	1.0
133.10135	15.5
133.11090	1.1
135.11702	9.8
137.13268	6.8
143.08557	1.6
145.10153	5.4
146.11812	0.7
147.11702	11.1
149.13266	7.4
151.14822	1.0
155.14352	0.7
157.10172	1.9
159.11714	7.5
161.13252	9.1
163.14827	5.2
168.45451	0.5
171.11700	1.5
173.13268	4.6
175.14851	5.9
177.16425	8.5
179.17882	1.0
181.52464	0.6
185.13246	1.4
186.14000	0.6
187.14841	4.2
189.16397	11.1
191.17972	6.7
199.14848	1.6
201.16391	7.5
203.17978	8.9
205.19572	1.9
211.14900	0.8
213.16391	2.6
215.17969	5.6
217.19537	12.5
220.98331	0.5
225.07925	0.7
227.18004	1.7
229.19551	4.6
231.21127	2.8
237.02759	0.7
241.07425	0.7
241.19548	2.5
243.21162	3.6
245.22791	0.6
255.21048	4.1
257.22559	3.7
267.09027	1.3
269.22623	5.3
271.24255	1.0
283.24213	2.0
285.10077	0.9
297.25851	1.8
300.28888	0.9
301.29285	5.6
309.16736	1.5
311.27643	1.2
323.27197	0.7
345.31967	2.4
349.16812	1.7
364.31406	0.7
365.32208	0.7
367.17972	1.0
407.24100	100.0
407.36496	54.3
408.24454	2.2
428.68109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1891
Annotation	Tyr Pro Gln
Peak:m/z	Relative Intensity
69.03445	2.3
70.01287	1.7
70.06566	1.4
71.04974	0.6
72.08162	1.0
78.21996	0.4
81.03426	0.6
82.61275	0.4
84.04514	0.7
84.08128	1.3
85.02894	1.2
86.09689	0.9
91.48898	0.6
95.04974	0.5
97.02893	0.5
98.20807	0.7
98.97543	0.8
109.02860	0.7
122.05985	0.6
126.05471	0.5
127.03886	0.7
130.06567	0.7
137.05948	1.2
147.09186	0.9
151.07605	0.5
157.07593	0.6
159.09204	3.1
160.47173	0.5
164.07158	0.7
174.10301	2.3
175.08717	0.7
181.08633	0.4
184.08745	0.6
185.07155	2.6
186.10243	1.1
187.08684	6.3
212.08205	1.9
230.09286	6.7
231.07722	0.8
245.13637	12.1
256.07172	2.4
273.09848	11.9
300.88440	0.5
310.04758	0.5
321.14346	2.4
357.10660	0.9
357.15036	0.6
364.14941	1.7
375.12570	1.4
407.08115	2.6
407.14511	14.1
407.19534	100.0
408.16226	1.9
408.20108	0.5
421.90442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.9
56.27750	3.6
56.96556	4.4
57.29283	2.8
58.85751	2.8
61.02918	3.0
64.83300	2.7
67.05502	8.6
67.68340	2.6
69.03429	6.9
69.07056	6.2
70.06590	12.5
71.05002	4.1
71.56491	2.9
71.56924	3.1
79.05506	4.2
79.83398	2.7
81.03403	6.0
81.07052	12.4
83.04987	13.4
83.08626	14.4
84.04491	5.9
84.08163	3.3
85.02908	11.7
85.06548	4.7
91.05488	10.7
93.07056	9.4
95.04997	10.0
95.08606	7.9
97.02886	6.3
97.06522	8.1
98.97597	22.0
105.07031	13.0
107.08604	15.0
109.02879	3.5
109.06530	20.9
109.10166	15.3
111.08099	4.9
116.06988	3.8
116.98632	5.2
119.04952	2.9
119.08566	7.3
121.10159	10.9
123.11735	5.4
124.04013	3.5
125.09606	4.4
127.03893	3.7
130.06551	4.2
131.08546	9.3
133.10146	28.5
135.11690	5.4
142.06903	2.9
145.04915	4.3
145.10194	4.7
147.04424	5.5
147.11702	13.2
149.13301	8.8
151.11220	16.0
153.09070	4.0
163.14845	3.6
167.14305	21.4
173.13297	13.5
175.03896	3.5
175.14847	4.0
181.84517	3.4
184.09674	3.7
186.46767	2.7
191.14331	17.1
207.06532	8.5
209.15376	100.0
219.01813	4.3
227.16417	14.6
280.57135	3.6
285.07574	3.8
321.42859	3.0
332.18527	3.6
374.12402	10.7
406.14273	5.3
407.07529	8.6
425.14700	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67949	0.8
55.05513	2.6
56.16339	0.8
57.03432	3.6
57.07080	100.0
59.05006	52.8
59.65495	0.9
69.07064	3.4
70.03693	4.0
71.08639	73.8
78.80143	1.1
81.07055	0.8
83.08615	2.3
84.70692	0.9
85.10188	62.3
97.10159	3.0
98.21516	1.1
99.08106	0.9
99.11730	10.1
101.09668	1.7
105.02472	0.9
113.13286	3.4
117.08379	1.5
117.09144	16.2
130.37622	1.0
132.82352	0.9
145.10103	1.1
150.47432	0.8
155.17976	4.0
175.13304	1.3
190.34428	0.9
201.80786	1.0
213.22113	5.2
220.78125	0.9
271.26254	4.6
383.25003	0.9
405.34396	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	406.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01624	0.9
53.03950	6.6
54.21024	0.8
57.03440	1.5
68.42071	0.8
69.03429	12.3
71.04984	1.4
71.10206	1.8
73.02904	1.0
78.03457	18.1
80.05022	1.8
81.03420	33.3
85.02909	8.3
93.20791	0.9
96.04482	3.7
97.02903	7.8
99.04441	3.8
106.02917	63.7
109.02879	21.7
114.85357	0.9
121.02877	1.0
124.03956	100.0
127.00040	1.2
127.03905	10.5
145.04918	1.1
250.07109	49.9
268.08157	34.4
406.11023	3.0
406.21198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.8
53.03947	4.8
55.01868	11.2
55.05518	3.6
55.84531	2.3
56.96570	2.9
57.03440	3.1
61.02945	2.5
62.52720	1.8
62.55851	2.2
67.05508	8.4
69.03448	10.3
69.07062	8.7
70.06581	2.0
71.04984	4.4
71.57241	3.9
74.19226	2.1
79.05496	12.0
81.03424	20.5
81.07063	20.2
83.04976	2.8
85.02914	9.2
85.06542	6.5
88.50976	2.1
91.05484	9.2
93.07041	26.7
95.04977	3.3
95.08590	10.3
97.02875	5.3
97.06544	14.5
98.97591	6.4
99.04487	9.6
103.05443	2.3
105.07030	15.6
107.04967	3.3
107.08612	39.0
109.02885	20.8
109.06532	11.1
111.08077	3.7
113.06039	2.6
117.07059	3.0
117.88638	2.1
119.04932	2.5
119.08580	11.1
120.08083	2.3
121.06519	10.6
121.10152	18.5
122.06042	2.4
123.08067	7.1
127.03939	13.8
127.07559	2.8
131.04982	2.5
131.08611	3.5
133.10170	4.4
135.08093	4.4
135.11754	11.3
137.05997	5.6
139.11182	2.3
141.90388	2.1
145.10139	15.6
147.11693	3.4
149.09642	10.2
151.07582	5.8
153.12747	2.4
163.11203	44.1
167.07054	4.6
167.10689	18.5
169.08617	71.3
173.09627	4.6
181.12253	15.4
184.07430	2.6
185.11702	2.8
191.10707	26.7
207.13884	2.2
209.11737	24.4
227.10545	4.8
227.12796	100.0
237.02721	2.6
239.60535	2.3
244.09593	3.7
269.13898	3.9
281.65341	4.9
289.14301	4.3
307.15710	2.5
335.14932	7.5
344.22159	5.2
353.16013	29.9
371.17029	25.9
388.24890	3.7
389.18307	2.5
406.18253	11.2
406.26096	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	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12354	3.5
55.01860	7.7
55.05514	37.3
57.03448	22.9
57.07064	5.0
60.52370	3.9
67.05503	71.4
69.07072	28.5
70.03725	11.4
71.04982	6.9
71.08635	29.3
79.05495	43.8
79.61328	3.1
81.03399	5.1
81.07058	81.0
83.04987	14.0
83.08618	20.9
85.06545	8.8
91.05487	31.9
93.07043	72.0
95.04951	11.6
95.08613	38.9
97.06521	10.7
97.10190	18.7
99.08116	25.9
105.07018	18.9
107.04942	3.9
107.08591	27.1
109.06519	3.9
109.10129	15.5
111.08094	9.7
117.07028	11.7
119.08619	15.2
121.06484	3.7
121.10111	14.7
123.11710	3.5
125.09624	13.3
129.07022	4.9
131.08519	9.8
133.10121	19.1
135.11659	13.9
139.11195	5.0
140.14291	3.5
141.36717	3.3
145.10060	6.3
147.11659	7.5
149.13275	24.4
149.14311	3.8
151.11197	19.4
157.10226	3.7
159.11699	22.7
161.13246	12.2
163.11185	8.0
173.11751	15.6
175.14726	3.4
177.12766	22.5
179.14323	11.3
189.11221	10.5
195.13799	9.0
227.12767	21.8
229.14360	3.8
241.19467	6.5
245.13815	5.0
253.17912	7.6
259.20541	8.9
269.17471	100.0
277.21597	33.2
286.20181	8.5
351.25275	60.9
379.89377	4.1
386.23514	5.6
386.28931	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	405.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.1
56.96566	1.8
57.03445	1.1
58.06596	1.2
58.66965	0.9
61.02913	1.2
63.08318	1.0
64.47804	0.8
65.03929	2.0
67.05493	1.2
68.33289	0.9
69.03423	3.5
70.06610	7.9
71.56635	1.7
72.08157	2.4
78.71696	0.9
79.05507	1.4
80.46505	1.0
81.03419	1.4
81.07095	1.3
84.04530	2.3
84.08139	4.4
85.02922	6.3
86.09710	2.7
86.87594	1.0
87.02821	1.0
91.05492	46.9
93.07047	1.0
94.06559	1.4
95.04980	9.5
97.02906	2.8
98.97578	2.1
99.04476	1.0
105.01885	1.7
106.06566	8.8
107.04966	2.6
108.05772	1.2
108.08156	1.4
109.02882	2.0
117.07040	3.6
118.06589	1.3
119.04107	2.1
119.04953	33.8
120.05270	1.1
120.08146	1.3
121.06509	3.1
123.04436	1.5
123.08105	1.2
124.03944	1.1
127.03935	3.8
127.04975	1.4
129.10280	2.1
130.06570	2.9
131.24770	0.9
135.04428	2.0
136.05234	5.4
136.07547	1.1
137.06030	5.5
140.07045	1.8
145.04991	2.5
145.06508	4.1
147.04437	2.2
149.05992	1.2
150.06703	2.2
151.07559	82.0
153.07149	0.9
157.04973	10.1
157.09758	1.4
162.09174	1.5
163.07608	6.6
164.07117	1.4
167.07126	1.8
175.08556	1.1
180.08099	1.8
180.10207	12.3
181.10445	1.0
182.09679	1.1
194.09697	10.4
195.09196	2.0
196.11279	1.0
206.09724	5.9
207.06573	1.9
207.09222	3.5
208.06914	4.1
208.09958	9.4
215.07011	6.5
219.01787	1.4
221.10770	8.8
222.11537	1.0
223.12312	68.8
224.12959	2.7
225.07637	1.5
226.07959	1.1
235.12317	1.4
237.02766	1.5
237.13844	3.9
243.06502	6.1
255.14967	11.8
256.13275	6.1
262.23389	1.0
286.12180	1.4
298.12177	2.7
301.11005	3.5
303.12506	1.2
312.13873	1.3
316.13281	4.7
318.14859	3.6
321.16086	1.2
328.13196	2.8
329.13031	3.4
330.14148	9.0
344.16571	3.8
345.16074	13.4
347.17938	1.1
348.15860	2.7
356.16162	1.0
357.15930	1.8
358.16867	2.3
360.15860	2.1
362.17743	2.2
365.05536	2.1
371.17395	1.5
372.18304	2.1
373.13757	1.5
373.19122	26.4
374.12515	2.3
374.20135	5.3
377.18649	5.0
405.21756	100.0
406.14676	1.2
406.22070	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	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81314	3.8
53.03939	5.9
55.01876	6.8
55.05508	31.9
56.96563	4.7
57.03442	21.6
57.07067	4.5
67.05502	73.4
69.03434	8.1
69.07063	25.7
69.51787	17.6
69.52224	15.9
71.08626	37.2
71.38262	4.2
79.05491	37.8
81.07062	82.5
83.04965	12.3
83.08604	21.6
85.06561	5.4
91.05484	40.0
93.07043	62.2
95.04956	14.1
95.08627	37.0
96.63808	4.9
97.02901	3.9
97.06522	7.2
97.10168	17.1
99.08092	30.7
102.01598	4.2
105.07040	23.3
107.08591	37.0
109.06554	8.0
109.10169	21.7
111.08141	5.6
117.07011	6.9
119.08585	17.1
121.10138	16.9
125.09637	22.9
131.08556	10.3
133.10139	17.6
135.08078	5.4
135.11673	10.3
140.14340	8.8
145.10136	10.7
147.11597	6.0
149.13283	26.7
151.11183	24.1
159.11710	18.4
161.13243	10.8
163.11194	13.6
165.84045	4.3
173.11728	18.1
177.12814	12.9
179.14255	11.3
189.11255	15.2
195.13777	10.4
221.15213	4.3
227.12791	21.6
229.14352	14.0
241.19412	7.1
245.13861	7.9
259.20685	10.4
269.17462	100.0
277.21634	31.4
281.10809	8.9
286.20422	5.9
287.11929	5.3
351.25183	53.0
366.04184	5.4
369.26022	5.4
386.23254	6.2
404.24283	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	404.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	0.8
56.96567	14.6
67.05499	1.0
70.14419	1.9
70.32503	0.5
71.95267	2.7
79.05511	0.8
81.07027	0.9
89.13369	0.5
91.05499	1.0
93.07047	0.5
94.04174	1.1
98.97589	100.0
105.07018	0.7
109.37339	0.5
114.22585	0.5
116.98627	50.6
122.03664	4.7
134.99667	14.2
137.05983	47.3
138.06361	0.6
140.00191	6.1
153.00859	0.6
158.01274	2.5
160.99161	0.6
179.00160	1.5
180.01033	0.6
197.01234	1.7
198.02052	1.0
208.10014	0.7
211.02788	1.1
220.00443	2.9
224.09584	1.5
226.11163	21.6
229.14438	0.6
235.02789	65.5
236.02678	0.6
238.01491	2.1
244.12215	6.8
244.77786	0.5
249.12776	1.0
253.03860	71.7
267.13794	0.9
268.12253	3.4
271.04941	1.9
276.05472	13.7
280.12137	1.2
327.68347	0.9
329.13013	1.6
342.17020	1.1
344.15381	7.6
362.16321	1.5
403.72574	1.9
404.17468	85.1
405.17767	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91951	0.6
53.03946	0.7
57.03400	0.7
61.02928	1.4
65.03945	0.8
69.03425	2.3
70.06586	0.7
70.61151	1.5
70.61489	1.0
71.66729	0.6
71.67145	0.6
81.03427	0.9
81.07073	1.5
84.04483	0.7
85.02908	11.0
86.09699	0.7
86.18478	0.7
87.04474	1.2
91.05484	12.5
95.04967	0.6
97.02885	2.9
97.06525	1.0
98.26028	0.7
107.04951	1.3
109.10138	0.9
115.05462	1.5
119.04946	22.3
119.08540	0.9
123.11718	7.0
127.03918	2.0
132.02074	0.7
136.05132	0.6
137.06023	2.4
138.09091	1.0
143.04948	7.7
145.04927	1.7
147.04417	18.5
147.11674	0.9
149.02319	1.3
151.06413	1.2
151.07535	11.8
152.07123	0.7
156.10181	2.0
157.03990	2.2
160.05182	1.5
162.07654	0.8
163.06293	3.2
164.04695	1.8
175.03914	39.9
175.07491	5.5
178.08633	12.4
179.07013	1.6
180.08681	2.1
189.09090	0.7
189.12758	1.3
192.04182	12.3
205.35201	0.6
207.06535	100.0
207.13814	5.4
208.06892	0.6
225.07585	44.1
225.14871	1.5
236.92787	0.6
242.10049	0.8
252.12317	34.6
281.11649	1.4
298.12140	1.9
313.14380	2.1
387.18121	3.3
404.08334	2.0
404.20752	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.5
53.03950	2.4
55.05507	1.3
57.03435	1.2
68.87978	0.5
69.03432	8.5
71.05010	2.3
71.44526	1.0
78.03455	10.2
80.05019	2.1
81.03422	12.8
83.04979	1.7
85.02904	9.9
88.80403	0.5
96.04500	1.7
97.02888	4.1
99.04478	1.7
101.06027	3.1
101.20763	0.6
106.02917	49.3
109.02876	6.3
119.07037	1.1
124.03955	100.0
125.04307	0.6
126.14488	0.5
127.03915	5.4
135.73630	0.5
136.12695	0.5
137.08087	1.3
145.04939	0.6
147.10480	0.6
166.05013	1.8
232.06099	4.0
250.07115	12.0
268.08163	71.2
404.15506	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	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
51.88845	0.5
52.81272	0.5
53.03943	2.6
55.01870	0.7
55.05511	0.7
57.03431	1.5
58.30748	0.5
62.78580	0.6
69.03431	7.4
70.95090	1.1
71.04990	1.6
72.68999	0.6
73.02917	1.0
78.03034	0.7
78.03461	11.3
80.05010	1.6
81.03426	15.3
83.04972	2.1
85.02918	7.1
91.05480	0.7
96.04501	1.9
97.02884	4.6
99.04454	2.1
101.06018	4.9
105.01897	0.9
106.02919	52.1
106.30732	0.6
109.02892	9.7
115.10201	0.6
124.03959	100.0
127.03913	7.5
137.06004	0.7
145.04959	1.0
166.05020	1.8
207.06567	0.8
225.07623	0.7
232.06108	2.9
250.07104	18.3
253.12070	1.1
253.62180	2.0
268.08170	62.2
286.09198	4.0
298.63641	0.6
318.69650	0.7
368.13730	0.9
368.86844	0.6
404.15509	9.9
419.88675	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03943	2.9
55.01886	0.6
55.05499	0.9
57.03437	0.8
61.02904	0.4
69.03430	8.0
69.71244	1.7
71.04991	2.4
73.02941	0.5
75.62872	0.4
77.87787	0.4
78.03455	10.9
80.05013	1.5
81.03423	12.7
83.04974	2.3
85.02908	9.9
88.85866	0.4
91.05534	0.4
96.04490	1.7
97.02898	3.7
99.04457	1.7
101.06020	4.0
105.01902	0.7
106.02917	47.4
109.02887	9.1
119.04977	0.5
124.03956	100.0
127.03914	6.6
145.04945	1.1
166.04990	1.5
175.03922	0.7
182.26428	0.4
189.75771	0.4
207.06557	1.9
232.06070	3.7
250.07121	16.0
268.08160	62.6
284.50687	0.4
286.09283	3.6
294.33289	0.4
298.66974	0.4
386.14389	0.7
404.15521	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	403.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
54.37686	1.6
55.01873	2.1
55.05514	22.4
56.51707	1.3
57.03424	3.6
57.07072	3.3
59.04983	4.2
61.02919	3.6
65.03930	3.4
67.05508	15.2
68.99789	7.5
69.03039	1.4
69.03432	43.0
69.07070	56.4
69.37943	8.1
69.38351	2.5
70.06577	1.6
71.01321	1.9
71.04991	13.9
73.02918	1.8
73.06551	1.6
76.61634	1.5
77.94022	1.5
79.05492	8.4
81.03422	58.7
81.06580	3.1
81.07059	58.1
83.04984	24.3
83.08618	13.8
85.02907	32.0
85.06502	2.6
87.00839	16.7
87.04466	1.9
91.05469	5.9
93.03412	2.1
93.07050	14.9
95.04967	4.8
95.08611	31.9
95.09148	1.5
96.08148	1.7
97.02898	9.8
97.06538	4.8
97.10182	2.7
98.97538	2.1
99.04453	15.5
99.08126	1.5
105.01875	3.8
105.07034	2.8
107.04945	2.1
107.08611	12.3
109.02888	37.1
109.10155	11.5
111.04449	77.8
111.08062	2.8
111.11710	11.1
119.08601	2.4
121.06522	1.4
121.10085	1.9
125.13278	2.8
126.85996	1.4
127.03924	100.0
129.01860	6.0
129.05461	7.2
131.08607	1.8
135.11676	10.9
135.53453	1.6
137.05984	3.1
137.13275	14.2
147.02858	2.5
147.06532	2.6
149.02321	3.1
150.02710	1.8
153.05508	2.0
153.12749	23.1
155.14314	2.8
157.86481	1.4
165.07297	1.9
167.07031	3.6
171.13811	5.7
179.03421	2.4
197.04442	7.5
213.03952	11.7
215.05496	3.0
231.04976	22.1
233.06566	2.9
278.43774	1.5
281.17474	2.1
282.61844	1.5
304.88705	1.5
360.17184	1.5
367.17569	3.1
385.18643	8.9
403.19485	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	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
57.03424	1.9
61.02938	0.5
69.03435	8.3
70.82677	1.1
71.04998	1.4
73.02930	0.9
74.67365	0.4
77.65049	0.4
78.03020	0.9
78.03453	11.9
80.05019	1.9
81.03425	13.9
83.04971	1.0
85.02911	9.1
87.00829	1.0
96.04489	1.9
97.02890	4.3
99.04481	2.8
101.06017	1.6
105.01855	1.0
106.02921	48.5
109.02884	9.4
109.96805	0.5
119.07058	0.9
121.06486	0.7
124.03958	100.0
124.14505	0.5
125.04250	0.7
127.03923	4.9
145.04927	0.9
166.05000	1.5
182.90091	0.5
196.05992	0.5
201.66824	0.4
232.06033	3.9
238.11784	0.5
250.04977	0.4
250.07117	14.5
268.08167	58.4
286.09259	1.3
400.58722	0.5
404.15512	5.6
424.14948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.3
55.01876	3.0
55.05516	19.4
57.03434	6.2
57.07071	5.5
59.05009	3.5
61.02931	4.5
65.03956	2.5
67.05516	14.1
68.99789	6.9
69.03078	1.2
69.03428	41.9
69.07071	62.6
69.37137	11.1
69.37558	4.2
71.01349	2.9
71.05000	12.1
71.08652	2.0
73.06566	2.4
79.05496	8.6
81.03420	59.8
81.07061	63.2
83.04983	25.8
83.08622	13.2
85.02911	30.9
86.96764	1.8
87.00833	18.2
91.05483	3.7
93.07042	14.4
95.04984	5.3
95.08607	31.2
97.02893	13.6
97.06535	7.7
98.97618	2.5
99.04470	13.9
105.01885	4.1
105.07030	5.7
107.08607	12.9
109.02886	41.1
109.10174	8.6
111.04443	85.3
111.08113	1.9
111.11710	11.1
123.11650	2.7
125.02341	2.2
127.03918	100.0
129.01843	4.0
129.05498	8.3
131.08600	3.1
135.11684	12.2
136.20352	1.8
137.02306	2.6
137.06006	3.2
137.13269	11.3
147.02876	5.8
147.06505	2.3
149.02327	4.6
149.42072	2.3
150.02634	2.6
153.12746	26.2
155.14290	2.1
159.09930	1.9
167.07018	3.7
171.13795	4.3
177.05476	2.9
181.05023	2.2
187.02364	2.1
197.04382	11.3
213.03909	11.9
215.05508	2.7
231.05025	25.6
233.06761	1.9
233.61388	2.1
287.10770	2.1
355.93936	2.3
367.17490	5.1
385.18747	13.6
403.19434	23.2
418.93170	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1026
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
52.66327	0.9
52.74437	0.9
55.01867	3.7
64.44041	0.9
68.99796	1.1
69.48809	6.7
91.05471	2.5
96.98216	1.0
97.02891	1.1
98.21457	2.1
98.97591	1.6
107.04986	1.0
119.04946	3.5
119.07330	1.5
121.02882	16.6
131.04973	0.9
136.07553	5.3
145.02847	5.1
147.04422	1.0
149.02328	2.8
151.83611	0.9
163.03957	5.6
165.01834	15.8
167.03415	2.6
175.03844	1.6
177.01830	1.9
179.03381	2.0
183.02945	2.7
184.54042	1.1
187.03899	2.2
191.03304	1.1
195.02869	1.3
201.00514	1.0
203.03380	5.8
221.04536	1.1
229.04930	3.1
231.02888	3.1
267.06512	7.9
270.05270	3.3
271.06021	7.8
273.03894	1.1
279.06570	3.2
281.08099	7.6
283.06030	90.7
284.06726	9.8
293.08035	5.5
295.06021	13.1
297.04236	1.5
297.07571	15.0
305.07971	2.4
307.06137	4.4
309.04135	0.9
309.07568	24.4
311.09201	2.8
313.07086	57.7
318.06717	1.3
321.07584	43.4
325.07080	7.9
337.07080	42.2
339.08630	5.3
349.07077	36.2
367.08139	100.0
368.08392	1.9
385.09222	18.2
403.10278	11.3
415.34555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1025
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
54.55782	0.5
55.01887	0.8
55.35062	0.6
68.99809	0.8
69.03439	0.6
69.48765	0.6
69.73689	3.4
79.01852	2.3
81.03413	0.8
85.02905	1.5
90.07356	0.6
91.05494	0.9
97.02889	0.7
103.88671	0.6
109.10133	1.7
119.04936	1.4
120.05725	0.6
121.02863	17.3
127.03859	0.7
129.12907	0.6
145.02826	1.5
152.33061	0.6
163.03920	1.4
165.01874	1.0
167.07060	1.1
179.03499	1.0
185.05971	0.7
187.03911	1.0
191.03391	0.6
191.23479	0.6
191.55775	0.6
203.03423	1.3
205.04932	2.9
207.02986	1.0
211.07524	0.9
213.05493	3.2
219.02898	0.8
227.06970	1.5
228.07726	1.0
229.05037	1.3
231.02885	3.6
239.07094	0.8
241.05055	0.7
242.05672	1.2
243.06512	1.4
247.06096	2.0
249.03995	2.4
250.10782	1.0
251.11040	1.0
255.06528	5.8
256.07275	8.1
268.07349	0.7
271.06104	2.0
279.06451	1.1
283.06018	49.6
284.06787	36.9
285.07458	2.3
289.54993	0.6
295.06009	16.3
297.07562	28.7
305.08197	2.0
307.06009	1.6
308.06842	1.2
309.07584	4.1
311.05536	3.1
311.09152	6.3
313.07059	67.3
314.07388	1.2
321.07568	5.9
323.05536	2.1
325.07077	7.6
327.08713	2.0
337.07040	16.2
339.08575	7.4
340.76907	0.6
343.08142	11.7
349.07031	6.7
355.07977	1.1
367.08130	63.6
368.08496	2.2
385.09177	41.1
386.09570	1.6
403.10266	100.0
404.10718	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.4
55.05506	29.5
57.03425	21.9
67.05167	7.3
67.05509	87.4
69.03432	5.9
69.07069	60.6
70.81503	11.3
70.81844	5.9
71.04962	7.8
79.05503	74.1
81.03419	6.9
81.07068	100.0
83.04986	20.3
83.08615	21.2
85.06541	8.7
91.05482	48.9
93.07052	80.9
95.04973	11.9
95.08632	39.8
97.06532	20.7
97.10181	17.8
99.08086	6.0
104.83495	5.3
105.07048	39.1
107.04975	10.7
107.08605	54.8
109.06525	10.3
109.10172	18.6
111.08035	6.4
117.07031	15.6
118.29688	4.3
119.08569	25.4
121.06456	5.5
121.10136	25.7
123.11749	7.5
125.09685	11.0
131.08572	23.0
132.66098	4.9
133.10124	35.0
135.08058	6.0
135.11717	28.8
137.09641	7.7
145.10144	16.2
147.11688	23.6
149.09619	13.1
149.13266	20.0
151.11180	5.3
159.11691	34.6
161.13344	6.9
163.11176	10.3
173.13264	10.8
177.12785	17.1
189.11211	7.9
227.12755	17.6
247.20570	9.5
253.17999	6.1
255.15952	62.1
257.19080	17.7
269.17471	81.7
275.20096	61.2
286.20041	13.6
309.21191	5.3
326.13843	5.4
349.23819	50.8
356.32816	4.9
367.24710	10.8
402.28967	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.5
53.56234	3.8
55.01869	10.6
55.05520	44.8
56.96563	4.9
57.03441	24.3
59.04994	4.6
59.38476	3.8
64.61292	4.0
65.03970	4.5
65.55484	3.5
67.05507	85.4
69.03435	11.2
69.07075	58.9
71.04996	12.0
71.56868	6.0
74.11149	4.3
76.73833	4.3
79.05502	67.1
81.03424	10.8
81.07064	100.0
83.04978	11.8
83.08620	27.6
85.02901	5.4
91.05494	56.0
93.07058	69.9
95.04970	9.2
95.08614	51.9
97.06547	29.7
97.10178	23.7
99.08073	7.2
105.07044	48.2
107.04934	10.4
107.08607	55.3
109.06539	8.4
109.10162	16.2
111.08072	6.4
116.98565	4.5
117.07053	19.4
119.08604	41.8
121.06524	11.7
121.10147	24.8
123.08055	6.9
123.11685	4.1
125.09644	19.0
129.07071	4.1
131.08575	29.6
133.10153	39.4
133.52852	3.9
135.08080	6.6
135.11693	24.8
145.10147	25.3
147.11710	18.4
149.09708	8.6
149.13274	19.4
157.10156	6.1
159.08092	5.2
159.11739	27.1
161.13229	12.2
163.11198	15.5
171.10165	5.3
173.13271	11.5
177.12773	14.6
187.11160	4.1
189.11243	11.1
195.13858	9.5
217.15947	5.6
227.12778	14.7
229.14275	10.2
229.19479	5.1
239.18018	10.7
245.13934	4.6
247.20789	4.6
255.15901	61.9
257.19040	15.1
263.79172	4.7
268.19098	4.7
269.17514	78.2
275.20093	52.7
286.20212	8.7
293.20752	5.2
312.12497	5.0
349.23795	73.8
367.24722	13.8
384.27600	5.2
402.29218	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	402.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01884	1.5
56.96574	2.0
57.03438	6.5
58.06598	2.6
59.05004	90.4
60.04516	1.3
61.02945	1.5
66.04302	1.1
67.05503	1.5
69.03432	5.2
69.07045	1.1
70.06591	10.7
71.04984	2.3
71.06938	1.1
71.45524	0.9
72.08155	3.3
73.02904	1.0
73.33144	1.0
73.88562	0.9
74.73986	0.8
78.03455	2.3
79.05482	1.1
81.03428	7.4
81.07059	1.6
84.04518	2.6
84.08166	4.4
85.02909	16.0
86.09703	5.8
87.04496	1.2
89.06038	14.5
89.15499	0.9
91.05505	4.5
92.63284	0.9
93.07059	2.5
95.08614	1.9
96.04514	1.1
97.02901	5.8
97.06517	1.0
98.97597	2.0
99.04462	2.6
100.03998	1.4
101.06048	0.9
102.05493	0.9
103.03934	1.7
103.05511	1.5
103.07565	4.4
105.07040	2.8
106.02928	13.5
107.05004	2.0
107.07082	15.6
107.08590	1.9
109.02245	1.0
109.02869	5.9
110.07140	3.0
114.45673	0.9
116.07136	1.1
116.98611	1.1
117.09141	20.9
119.04958	1.4
119.08609	1.8
120.08134	1.4
121.10152	3.0
123.04465	1.5
123.08050	2.2
124.03970	23.6
127.03924	3.9
129.10342	1.4
136.07597	1.9
137.05981	4.0
145.04974	2.0
145.10129	2.0
147.04431	1.5
147.10208	2.7
147.11687	1.5
149.09596	1.0
151.07582	1.2
152.07033	1.5
154.08609	4.5
161.11826	1.1
163.11240	1.6
164.07054	4.6
165.11263	7.7
172.11244	4.1
178.08681	1.4
186.12813	2.4
187.13663	1.4
204.13881	4.2
208.13428	1.2
221.10710	1.1
222.14886	13.8
223.15410	100.0
229.15529	1.7
235.07332	1.2
240.15964	9.1
247.12131	1.2
250.07124	6.9
259.11960	4.5
268.08173	15.0
282.11407	1.1
402.14584	5.3
402.21167	2.1
402.28955	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	402.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01871	0.8
56.96557	1.3
58.67010	0.4
58.99562	0.4
59.17485	0.4
69.03436	2.6
70.06586	0.6
70.07977	1.9
71.04980	0.5
71.08638	18.0
72.08176	0.6
73.02930	0.8
76.81370	0.4
81.03429	2.4
83.40829	0.4
84.04496	0.9
84.08132	0.6
85.02914	3.8
86.09706	1.3
87.00826	1.0
88.11275	100.0
89.11597	0.4
89.34940	0.4
91.05492	5.1
95.04974	0.5
97.02924	1.8
98.21458	0.6
98.97588	2.2
105.01906	0.6
108.35591	0.4
109.02876	1.7
110.97612	0.8
116.98645	1.1
119.04943	3.3
119.20222	0.4
121.06530	1.7
123.04431	0.4
126.05541	0.6
127.03936	3.4
128.98627	0.8
130.05048	0.9
136.06215	1.9
136.07597	1.1
137.05984	30.5
138.06317	0.5
138.09138	0.7
141.05444	0.4
145.04985	0.9
147.02718	0.8
147.07674	0.7
154.08641	5.4
159.02922	1.1
177.00746	0.5
179.07124	0.6
189.00394	0.4
193.03154	2.3
219.01833	1.5
221.17110	0.4
224.04562	0.9
237.02951	1.0
238.03244	0.8
248.04523	0.5
315.13477	0.5
316.13864	0.9
339.03876	0.9
402.07791	1.3
402.13641	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	402.1912
Annotation	Papaverrubine G
Peak:m/z	Relative Intensity
50.81429	0.3
56.05039	3.5
65.34736	0.4
69.22141	2.8
69.22565	1.1
74.06096	2.0
79.05494	0.6
79.72993	0.3
84.08150	0.5
85.02919	0.5
86.09741	0.6
91.05486	1.1
98.20797	1.0
102.05553	3.1
107.04937	0.6
115.05447	1.3
116.07095	1.5
121.02881	1.0
136.05174	0.5
137.05968	2.3
143.04936	3.8
147.04387	0.4
149.06061	0.7
151.07532	5.2
159.08101	0.4
160.05220	0.6
164.07140	1.0
167.07040	0.7
168.07426	0.4
175.07570	3.0
176.07092	1.3
177.07884	0.7
178.07826	0.5
179.08595	0.8
181.06485	1.1
183.08070	0.7
191.08487	0.5
195.08086	1.7
206.07327	1.0
207.08057	1.5
209.05820	0.8
209.09671	1.0
210.10388	0.5
211.07530	1.1
219.08060	1.4
220.08839	0.5
221.09618	1.8
222.10370	2.6
223.07539	2.9
225.09198	0.9
227.07149	0.7
233.09570	0.5
234.06845	0.7
235.07523	3.5
237.09090	2.8
238.09813	3.5
239.06976	0.6
239.10667	2.5
240.07857	0.6
241.08563	1.9
249.09096	1.5
250.10608	14.4
251.07062	2.1
251.10690	1.8
252.07864	0.8
253.08594	0.7
253.12297	2.8
254.09402	1.4
255.10185	2.6
256.07318	1.0
265.08603	1.0
265.11871	0.4
266.09445	2.8
267.10168	7.5
269.08237	2.5
269.11621	2.3
270.08887	1.0
270.12201	0.9
271.09622	1.9
281.11734	14.8
282.12540	13.1
283.06070	1.3
283.09641	3.7
283.12622	0.6
284.07071	0.8
284.10382	6.3
285.11212	1.3
286.11890	1.3
294.12741	0.6
297.07837	0.8
298.11993	6.8
310.14429	0.5
313.07068	1.8
313.14374	4.5
316.08887	0.6
331.11414	0.9
334.04822	0.6
342.12903	0.8
342.17017	16.2
343.17529	0.6
348.19739	0.5
348.70135	2.4
367.08112	1.6
370.71292	1.0
371.21451	0.5
374.08017	0.5
375.08759	0.5
375.72986	0.4
384.14871	0.5
385.08896	0.7
392.72629	0.8
402.19138	100.0
403.07904	2.9
403.19299	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	402.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	3.5
66.83509	0.5
68.24118	0.5
69.07018	0.6
69.71699	3.0
70.06634	0.5
72.94324	0.5
74.06070	1.1
79.05502	0.5
84.08168	0.7
91.05463	0.8
95.08674	0.6
98.20745	0.8
102.05551	2.0
115.05468	1.0
116.07087	1.0
121.02843	0.6
130.53474	0.5
137.05978	1.4
143.04915	3.7
146.17557	0.6
151.07561	3.9
164.07040	1.5
165.09094	0.7
175.07571	2.0
176.07100	0.8
177.07826	0.8
178.07869	0.7
191.08594	0.7
195.08052	1.0
207.08044	2.3
209.09602	1.0
210.10338	0.8
211.07593	1.0
219.07930	1.1
221.09662	1.5
222.10435	1.7
223.07585	2.7
225.09143	1.0
234.06532	0.8
235.07574	3.9
237.09129	2.2
238.09889	3.2
239.10696	2.6
241.08650	1.8
249.09096	1.4
250.10620	12.7
251.07097	1.5
251.10631	2.1
252.07898	0.9
253.08704	1.0
253.12221	1.7
254.09392	1.5
255.10190	2.3
256.07285	1.0
263.10834	0.6
266.09378	2.0
267.10147	6.7
268.10834	0.7
269.08087	3.2
269.11710	2.2
270.08786	1.1
270.12338	0.6
271.09760	1.7
281.11722	13.0
282.12524	11.5
283.06226	1.0
283.09650	3.5
283.12531	0.8
284.07269	0.8
284.10400	4.9
285.11234	0.6
286.11877	1.4
298.11966	6.2
307.06125	0.9
313.06982	1.1
313.14352	5.0
342.17017	15.5
348.70053	3.1
349.20264	0.9
367.08191	1.3
370.71387	2.0
371.21466	0.7
385.09402	1.0
392.72305	0.7
395.22614	0.8
402.19135	100.0
403.09723	2.1
403.19443	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	401.2876
Annotation	Arg Ile Ile
Peak:m/z	Relative Intensity
51.15505	0.4
55.05502	0.5
60.31076	0.4
69.87882	0.8
69.88288	1.4
70.06597	1.0
77.49114	0.4
88.07635	1.6
93.07030	0.5
102.09170	0.6
102.20576	0.4
234.78435	0.4
339.34537	1.5
343.06055	0.5
358.08481	0.8
373.10663	1.0
401.10678	2.5
401.28784	100.0
401.38086	6.5
402.29025	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01863	0.9
55.05511	1.1
56.96565	0.5
57.03440	7.3
59.05004	0.6
61.02922	1.4
67.05524	0.6
68.27971	0.5
68.99785	1.4
69.03083	0.7
69.03435	10.9
69.07057	1.9
71.04992	1.8
71.56310	0.7
73.02920	1.3
79.05490	1.7
81.02934	0.6
81.03418	11.4
81.07056	2.4
83.01301	0.5
83.04950	0.5
85.02912	15.6
87.00831	1.5
91.05480	1.7
93.07057	0.8
95.08627	1.2
97.02899	14.3
98.97564	0.8
99.04469	4.8
101.02387	44.9
105.07034	4.3
107.04966	1.0
107.08607	0.8
108.04485	1.8
108.05255	0.6
109.02888	17.0
109.10183	0.6
111.04475	2.7
115.03889	0.7
119.03425	100.0
119.08577	0.8
125.90600	0.6
127.03922	25.4
131.03403	3.7
137.05965	2.7
139.78925	0.5
145.04968	9.3
152.04642	0.5
157.93684	0.5
159.08060	0.8
161.04520	2.0
161.05905	0.6
164.07114	0.9
167.07085	3.9
168.07443	2.8
173.04485	6.2
185.04486	0.6
197.04443	1.2
205.08632	0.7
208.05203	0.8
209.05591	0.9
217.08682	0.7
218.08925	1.1
219.07713	0.6
220.08459	0.7
227.05515	2.1
245.06578	11.1
249.08698	0.6
255.06218	0.9
260.07867	0.6
262.09677	0.5
263.07669	5.5
264.11053	0.9
269.08160	0.7
270.08511	1.5
273.59497	0.5
277.08246	0.5
278.08875	0.8
283.05563	0.5
283.09177	0.7
292.10489	0.8
294.08444	0.6
308.09927	0.7
311.08658	0.8
315.08679	1.4
316.08823	4.4
324.13202	1.1
330.10968	1.2
331.11322	5.7
332.12228	0.7
343.12289	0.7
344.12109	1.8
352.12830	1.0
354.10425	0.8
358.16501	0.6
384.15292	4.2
402.16931	1.2
402.26648	1.5
403.19150	0.6
412.66037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57196	0.2
55.01865	0.7
57.03442	1.3
69.03437	2.5
69.55930	1.4
70.06573	0.4
71.01344	0.3
72.08154	0.5
73.02917	0.7
74.11622	0.2
81.03412	0.5
85.02907	1.7
87.04440	0.3
94.04047	0.6
97.02895	2.1
98.97579	0.3
103.03970	0.3
109.02894	0.4
111.04480	0.3
115.03909	0.9
115.26886	0.2
118.06580	0.3
119.03560	1.3
129.58707	0.2
130.06586	0.3
133.04971	0.7
136.06189	100.0
137.04585	0.6
137.06552	0.6
143.03377	0.4
155.54315	0.2
157.04915	0.3
268.07584	0.4
268.10428	7.9
400.14566	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	400.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38304	0.2
55.01855	0.2
56.96565	0.2
69.03414	0.4
69.66923	0.2
70.87332	0.4
72.08152	0.2
81.03408	0.5
82.53899	0.2
83.81100	0.2
84.04503	0.3
85.02900	0.9
87.00845	0.2
91.05488	4.2
97.02895	0.7
97.06511	0.2
102.88733	0.2
105.07084	0.3
109.02869	0.3
109.10127	0.3
115.05462	12.0
116.06268	0.3
117.07025	100.0
118.07341	1.0
127.03896	0.5
137.05952	0.3
145.04935	0.4
153.01770	0.4
251.58014	0.2
309.78439	0.2
312.28989	0.3
396.95987	0.2
400.21155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59575	10.2
55.05515	13.5
56.96568	11.4
57.03438	22.0
59.44476	8.5
62.21566	9.2
67.05506	91.6
67.44370	9.7
69.07075	21.7
71.57137	21.3
74.93877	8.6
77.07286	10.1
79.05476	55.2
80.75382	10.4
81.03426	12.5
81.07064	100.0
83.04975	24.5
91.05498	86.7
93.07030	45.1
95.04973	14.8
95.08604	30.4
105.07043	59.7
107.04945	15.9
107.08630	59.5
109.06535	19.3
109.10178	84.8
111.04459	17.2
114.09738	10.5
119.08589	15.6
121.06548	10.2
123.11721	26.1
125.25469	12.6
131.08572	22.1
133.10161	91.3
137.05969	11.7
142.68440	9.0
149.09645	17.2
151.11154	54.9
161.09630	10.6
188.94360	11.1
235.56177	10.8
240.24727	10.9
253.14464	59.4
263.19812	11.1
269.13751	17.3
271.15454	56.3
273.18433	37.0
291.19611	46.5
323.78781	10.3
365.23273	82.7
382.21826	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64989	0.3
69.77560	1.2
84.07850	0.3
89.73209	0.2
94.07388	0.3
98.20831	0.4
239.90280	0.3
291.81067	0.3
302.96866	0.3
399.30832	100.0
400.31186	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1917
Annotation	(-)-11,12-Methylenedioxy-kopsinaline
Peak:m/z	Relative Intensity
55.01855	0.9
55.05488	1.7
56.05017	0.7
56.96553	0.8
57.03431	0.7
57.07032	0.8
64.57931	0.5
65.03924	0.6
67.05486	2.5
69.03413	1.1
69.07043	1.9
70.06580	1.4
70.41843	0.5
71.08620	1.1
71.56986	0.9
79.05478	2.1
80.03711	0.6
81.03410	0.6
81.07067	3.6
82.06550	0.6
83.04974	0.8
84.08117	0.6
85.02869	1.6
86.95757	0.5
91.05494	3.9
93.06580	0.4
93.07046	4.1
94.06555	0.7
95.04941	0.9
95.08580	1.8
96.08125	2.3
97.02853	1.5
97.06511	0.9
98.97568	1.7
105.07037	3.2
106.06506	0.6
107.08611	5.3
108.08093	2.0
109.06535	0.8
109.10119	1.3
116.98576	0.7
117.07015	0.7
118.06505	1.0
119.04951	0.8
119.08550	1.3
120.08105	1.7
121.10177	1.3
122.06007	0.6
122.09682	2.6
123.11718	1.0
124.07561	2.0
125.09641	0.6
130.06482	1.1
132.08115	1.1
133.10121	1.4
134.09671	4.4
135.11676	1.6
136.07587	2.7
136.11221	2.0
137.05971	2.0
138.09174	4.1
146.06003	1.3
146.09660	1.1
147.10435	0.5
148.07602	1.1
148.11220	0.9
149.08403	0.9
149.11998	1.8
150.05478	0.6
150.09167	3.0
150.12759	1.6
151.07608	0.9
151.09929	4.8
152.10663	0.8
153.33952	0.5
158.05952	0.7
159.08139	0.5
159.11626	0.7
160.11125	0.6
162.09163	11.5
164.07069	5.9
164.10745	5.8
165.11523	0.6
166.05002	6.6
171.06757	2.0
176.10715	1.3
176.14412	2.8
177.11520	2.1
178.05011	29.5
178.10843	1.0
178.12288	11.2
178.15953	4.2
180.13855	38.6
184.07428	1.5
188.14357	0.7
191.13081	1.1
192.06560	14.9
192.13890	2.9
199.08607	0.7
204.06573	0.6
204.11932	0.7
204.13866	24.5
206.15417	100.0
212.09521	1.2
215.09441	0.9
220.13388	4.8
227.11833	2.5
228.10205	1.3
237.10281	0.8
240.09056	0.8
246.11272	5.7
250.09103	0.6
255.11351	2.5
257.09079	0.9
280.17004	0.7
283.10803	11.0
301.11877	6.8
329.11392	2.2
353.18643	1.7
371.19675	5.0
381.18240	1.1
398.68311	2.0
399.19214	89.3
399.80496	0.6
400.19598	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19814	0.5
53.56900	0.4
54.14398	0.4
64.78990	0.5
69.07059	1.2
69.52719	3.7
76.52344	0.5
81.03462	0.5
98.20746	0.9
101.00906	0.5
119.01921	0.8
148.83522	0.5
178.69350	0.5
200.03873	0.6
227.05287	0.6
249.64629	0.5
261.83838	0.5
271.04364	1.3
287.03992	0.6
313.16248	2.4
331.16330	0.5
337.16138	0.6
343.78891	0.6
355.17313	19.3
399.16302	100.0
400.16620	1.7
405.07016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1915
Annotation	(-)-11,12-Methylenedioxy-kopsinaline
Peak:m/z	Relative Intensity
55.05498	1.6
56.96568	1.3
57.03419	0.8
65.39428	0.7
67.05486	1.8
69.03407	0.8
69.07062	1.6
70.06586	1.2
71.08620	0.9
71.56351	0.8
79.05482	2.0
81.07060	3.5
83.05009	0.9
91.05459	2.0
92.04953	0.6
93.07024	2.6
94.06576	0.8
95.04981	0.5
95.08593	1.6
96.08096	0.6
97.02877	0.8
97.06525	1.1
98.97575	2.3
101.06039	0.8
105.07030	1.9
107.08595	3.4
108.08120	1.5
109.10146	0.7
111.04435	0.9
116.95786	0.6
116.98645	0.7
119.04945	0.6
119.08575	1.5
120.08082	0.8
122.09649	1.3
123.08071	0.7
124.07581	1.6
131.08539	0.9
132.08005	0.8
133.10130	1.0
134.09656	3.2
135.11716	1.1
136.06100	0.8
136.07558	1.9
136.11250	1.2
137.05946	0.7
138.09122	1.7
146.06003	1.9
148.03990	0.7
148.11224	0.7
149.11981	0.8
150.09117	1.1
150.12843	0.7
151.09886	2.7
154.34412	0.7
158.09645	0.8
159.11700	0.7
162.09149	10.3
164.07051	2.2
164.10735	2.8
166.05029	5.7
171.06819	0.6
176.10695	1.1
176.14337	3.3
177.11485	1.7
178.05019	3.1
178.12254	6.9
178.15874	3.6
180.13844	14.0
184.07442	0.9
188.10593	0.9
191.13136	0.6
192.06561	4.0
192.13739	1.1
194.12440	0.7
202.12207	0.9
204.13864	24.4
206.15410	59.1
211.12274	1.7
212.09396	1.4
213.13989	0.9
219.01735	0.8
227.11798	2.0
228.10228	1.3
229.13261	0.8
241.10246	0.7
246.11314	1.2
250.09315	0.7
255.11285	3.2
257.12796	1.9
272.09042	0.6
273.12213	1.1
275.15085	3.3
275.65262	0.9
283.07858	1.1
283.10779	15.1
285.12329	1.0
301.11847	8.5
329.11426	4.8
353.18631	1.6
368.25116	1.1
371.19720	1.6
381.17813	2.1
381.21835	2.6
398.68341	0.7
399.19110	100.0
400.19342	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	399.1628
Annotation	His Glu Asn
Peak:m/z	Relative Intensity
69.07066	0.9
69.81413	1.2
69.81824	0.8
101.00902	0.4
127.00052	0.6
201.03691	0.5
227.05179	0.8
243.04778	4.0
245.06224	0.5
271.04257	1.5
287.03757	13.5
289.05240	1.5
295.15128	0.4
313.16235	1.6
355.17282	13.1
399.16284	100.0
400.16595	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12067	0.9
56.05043	1.1
56.96546	2.2
61.08007	0.9
69.03423	3.5
70.06565	2.4
70.97199	2.4
79.65169	0.9
81.03429	1.6
83.04991	0.9
83.06127	1.2
84.04519	1.6
85.02911	2.9
86.09702	1.4
91.05486	6.2
97.02874	7.5
98.97582	4.1
101.00893	6.2
101.06030	1.6
102.05524	2.2
105.00408	1.3
109.02870	2.4
113.00847	2.6
115.02432	1.1
116.98653	1.4
119.01949	9.2
119.04945	4.3
127.02389	2.0
129.05493	1.8
130.06520	2.1
131.01915	5.1
133.03432	1.0
136.06224	7.0
137.02954	1.5
137.05986	26.2
143.01904	3.1
145.03479	9.8
149.05954	1.7
150.06740	1.8
155.01918	8.1
156.02670	1.6
157.03484	3.7
158.99506	1.1
161.02948	7.0
162.04153	1.5
162.06796	2.0
163.04527	1.2
167.01912	2.3
168.02708	2.0
173.03012	10.0
175.04425	1.0
177.03964	2.7
179.01910	1.4
181.03455	2.8
183.05046	2.3
185.02945	5.2
192.02776	1.9
194.06487	1.3
194.99713	2.3
195.05052	34.9
197.02934	6.7
201.01012	0.9
203.04036	4.6
207.05093	1.7
208.08102	2.0
208.58476	2.2
213.00819	2.2
213.06107	12.8
216.59453	1.8
217.09805	1.0
219.01759	2.9
219.05013	3.0
221.04970	10.4
221.06377	1.4
224.09360	2.4
225.06009	2.4
225.30704	1.1
226.06094	1.0
228.02635	2.1
231.05013	5.9
231.07187	2.1
232.60684	4.7
233.06645	2.3
236.05315	1.3
237.02866	1.8
237.06073	6.4
239.07628	1.7
241.11960	3.5
245.05072	14.3
245.94258	1.0
246.03714	6.7
248.05367	1.4
249.06160	10.1
250.09302	4.4
251.07701	2.3
255.07234	6.5
261.06113	4.9
263.06015	1.3
267.07288	3.2
269.08694	2.0
273.03317	1.2
273.05890	4.5
279.07199	4.5
281.08432	1.6
286.11945	3.2
291.07172	14.0
294.05872	15.9
297.08163	1.6
309.08197	9.8
312.06775	1.7
321.08145	1.7
339.04272	3.9
339.09271	100.0
340.09671	2.3
357.05594	2.0
357.10367	42.4
358.10678	1.4
380.11575	2.7
399.11520	12.0
399.19098	1.9
399.24142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
56.96549	1.1
69.03419	0.8
69.35776	0.7
70.06599	10.2
71.55466	1.2
73.02896	1.1
78.25087	0.6
79.05496	0.9
81.03398	1.3
82.89982	0.6
84.04451	0.9
84.08121	0.7
85.02879	2.8
88.03978	2.1
88.11259	1.3
88.23927	0.7
90.05545	0.7
91.05478	0.7
93.05788	4.4
94.06565	1.5
97.02862	1.8
98.97576	1.8
100.07626	0.6
106.06563	30.3
110.07160	0.9
116.07097	3.4
117.05688	0.9
118.06561	0.9
119.04857	0.6
120.01942	0.8
120.08105	2.3
126.14216	0.6
127.03972	0.7
127.33837	0.6
130.06528	6.4
132.08096	1.4
133.39691	0.6
134.09637	0.8
136.06189	1.0
136.07559	0.7
137.05980	1.4
144.08130	0.8
147.04486	0.8
153.05536	0.8
156.08049	0.8
162.09097	1.2
177.00833	0.7
179.49927	0.7
180.08054	1.0
191.17459	0.7
193.08853	0.7
194.09631	1.0
195.09140	1.8
196.09804	1.1
197.10692	1.8
197.85123	0.6
203.11864	2.2
204.07953	0.8
206.09756	6.0
207.08972	1.1
208.09813	1.5
209.10648	0.9
212.10727	0.9
219.01845	0.6
220.09851	0.7
221.10777	8.7
222.11368	4.3
223.12309	100.0
224.02391	0.6
224.12679	3.3
233.10802	0.8
235.12210	1.2
236.04724	0.7
237.02835	0.9
237.12360	1.8
239.11800	4.5
247.62228	0.8
249.12332	7.4
249.14174	3.8
251.15413	3.5
253.05833	0.6
253.13303	0.8
254.14212	0.7
255.14899	2.6
268.07761	0.7
283.18188	1.0
314.15027	0.9
320.17587	9.6
339.03870	1.4
352.20187	2.6
356.08972	1.1
357.04681	0.8
366.18155	34.4
367.18799	1.6
374.10181	2.0
398.20773	86.5
399.20905	2.0
414.43076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1967
Annotation	Pallimamine
Peak:m/z	Relative Intensity
51.04796	0.3
56.96566	0.3
57.03415	0.4
67.05498	0.6
68.05006	0.5
69.03434	0.6
69.07076	0.5
70.06603	0.4
70.07643	1.4
74.19398	0.4
80.05004	0.4
81.07067	0.5
82.06567	0.6
84.04504	0.8
85.02921	0.7
91.05479	0.8
92.81842	0.4
93.07062	0.3
97.06532	0.4
98.06067	0.6
98.21440	0.3
98.97593	0.9
100.87788	0.3
105.07100	0.3
107.08562	0.5
116.98610	0.4
119.04934	0.5
119.08627	0.4
121.06498	0.4
137.05981	1.1
151.07544	0.5
158.99774	0.4
178.08658	1.0
193.10117	0.4
194.07324	0.4
195.08232	0.4
197.09520	0.3
203.99644	0.4
209.09604	0.9
210.06761	0.4
211.07454	0.5
219.08041	0.6
220.08890	0.5
221.09644	2.4
222.10381	1.7
223.07500	0.8
223.11172	0.5
224.08371	1.9
225.09091	2.4
225.12834	0.4
226.09872	2.0
233.09589	0.8
234.10408	0.8
235.07538	0.5
235.11125	0.4
236.08287	0.8
237.09125	1.5
238.09891	3.1
239.07106	0.5
239.10652	1.4
240.07870	0.9
241.08632	0.8
242.09473	0.3
248.08504	0.3
249.09204	1.8
250.09895	1.7
251.07631	0.3
251.10683	2.4
252.07848	0.7
252.11433	0.6
253.08614	1.4
253.12300	3.5
254.09438	2.2
254.11829	0.4
255.10211	2.1
263.10733	0.8
264.07764	0.4
264.11539	0.4
264.64984	0.5
265.09018	0.7
265.12231	6.4
266.09348	1.3
266.11929	0.5
267.10159	1.8
268.10852	1.9
269.08289	0.4
269.11765	2.6
270.08914	0.8
279.10239	2.5
280.10901	0.6
281.11743	14.4
282.12418	1.2
283.09671	1.6
283.13086	0.7
284.10431	1.6
285.11224	6.0
286.12067	0.5
294.12503	5.3
295.09637	1.3
295.13034	0.6
296.14084	16.2
297.11191	3.8
298.11951	3.1
299.12823	1.5
300.13626	3.3
310.11981	4.4
311.12650	0.5
312.13574	6.6
325.14337	1.1
327.15942	3.0
354.16986	0.5
370.20151	5.4
380.18570	0.6
398.19626	100.0
398.68265	1.0
399.19888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1965
Annotation	Pallimamine
Peak:m/z	Relative Intensity
55.05482	0.8
56.96546	1.3
57.03422	0.8
59.04947	0.7
67.05490	1.4
68.05025	1.4
69.03424	1.7
70.13098	1.7
70.13511	1.9
71.04994	1.2
73.02895	0.8
79.05476	1.5
81.03407	1.4
81.07059	2.1
83.08582	0.8
84.04513	1.3
85.02906	1.6
86.06059	1.6
87.04470	0.9
91.05477	5.1
93.07032	1.4
95.08607	1.5
97.02874	1.0
97.06544	0.9
98.06051	0.7
98.20760	0.7
98.97580	2.8
102.81886	0.7
105.07032	1.3
107.04958	3.5
107.08559	0.7
108.05750	1.3
109.02861	1.0
115.05459	11.3
116.98587	1.1
119.04919	2.5
119.08607	1.0
121.06442	0.9
122.06005	1.2
127.03934	1.1
130.04140	0.9
130.29652	0.7
135.04442	1.4
136.05196	1.9
137.05977	11.5
139.07556	1.1
143.04927	46.4
144.05614	0.9
147.04366	1.2
150.06772	2.3
151.07547	67.6
158.07289	1.6
158.99747	0.8
160.05206	5.5
161.05956	0.9
162.05486	4.4
162.06738	1.7
163.06265	1.5
165.09114	5.1
174.05505	4.4
174.06796	1.8
175.07552	27.7
176.07059	2.9
177.07901	6.5
177.09265	1.3
178.08684	9.4
184.07393	1.7
189.07632	1.5
189.09273	3.7
204.10228	11.2
206.15404	1.3
207.08041	0.9
219.07928	0.9
221.09651	1.4
222.10400	1.9
223.07559	1.2
225.09181	0.8
230.11774	2.1
231.08914	1.1
232.09680	5.6
235.07500	0.8
237.02829	0.9
238.09840	1.1
246.11267	19.4
247.12045	10.7
249.09167	1.1
250.09636	1.6
253.12222	2.5
267.10138	3.7
273.65686	1.3
274.15552	0.8
281.11707	3.5
282.12494	1.9
283.06470	1.1
283.09576	1.5
299.12625	1.3
311.12778	1.9
313.14325	9.0
340.15433	21.0
341.15735	0.9
383.06342	0.8
398.19577	100.0
399.19656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01864	1.7
57.03442	10.9
58.02963	3.6
59.01353	1.0
61.02922	1.9
61.46945	0.7
62.33809	0.7
67.05501	1.3
68.99780	2.1
69.03078	1.3
69.03433	19.5
69.07055	1.1
69.92073	1.5
69.92485	2.8
71.04990	2.9
73.02898	2.0
79.05507	1.6
81.03425	19.4
81.07047	1.9
85.02910	30.8
85.03435	1.6
87.00830	2.4
87.04469	1.4
91.05484	10.6
93.07054	0.8
95.08630	0.7
97.02898	27.4
97.06525	2.0
98.97590	1.7
99.04461	8.2
101.02387	62.5
103.05476	0.7
105.07040	1.3
109.02881	26.0
109.10183	0.9
111.00803	0.7
118.06566	1.3
118.89830	0.7
119.03425	100.0
119.07322	5.7
122.05946	0.7
127.03925	33.1
129.01807	0.7
131.03394	6.9
136.07588	33.8
137.05992	2.7
145.04967	12.0
151.07701	0.7
161.04451	1.9
173.04471	12.8
178.08638	8.1
179.09033	1.6
180.09077	0.9
197.04524	1.4
227.05594	2.0
245.06586	9.0
260.12817	1.5
267.06580	0.7
326.71274	0.7
398.23477	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.186
Annotation	Wallichoside (Pteris)
Peak:m/z	Relative Intensity
53.03942	12.0
55.01872	9.5
55.05515	14.3
57.03433	2.4
65.03948	1.7
67.05506	23.8
69.03435	24.4
69.07066	18.1
69.43478	4.1
69.43887	8.6
71.04989	15.1
73.02930	2.2
73.06487	1.9
79.05497	28.9
81.03425	61.7
81.07063	64.1
83.04987	37.4
83.08619	6.3
85.02914	4.9
85.06544	12.7
91.05489	25.3
93.07050	63.1
95.04977	28.1
95.08059	3.0
95.08617	43.7
97.02893	6.6
97.06537	40.2
98.21517	3.0
98.97552	1.9
99.04463	26.8
101.06009	3.7
103.05479	2.7
105.07036	53.8
107.04932	7.4
107.07870	2.5
107.08597	45.9
109.02887	97.8
109.06526	36.8
109.10153	7.9
111.04431	11.9
111.08086	28.9
113.05990	6.7
115.07808	1.9
117.07020	5.5
117.38430	1.5
119.04932	3.3
119.08579	27.1
121.02874	1.7
121.06511	72.2
121.10150	9.9
123.04423	7.8
123.08095	9.8
123.11703	11.1
125.02373	3.5
125.06008	29.8
127.03923	41.1
127.07574	13.0
129.07002	6.2
131.04903	2.2
131.08565	10.2
133.06477	4.5
133.10136	26.6
135.04433	4.8
135.08064	21.3
135.11650	2.7
137.05984	14.4
139.07552	24.2
141.05441	2.4
142.07753	7.1
143.07051	14.5
143.08540	11.8
145.10094	15.5
147.08049	7.9
147.11699	62.7
149.05907	2.3
149.09605	6.3
149.13277	7.5
149.52354	1.8
151.07509	6.1
151.11192	8.3
153.05434	2.4
153.09108	3.3
155.07091	3.2
155.08543	3.6
156.09367	2.9
157.06444	2.4
157.08603	5.7
157.10110	17.5
158.99544	1.8
159.06517	6.9
159.08051	6.2
159.11702	3.7
160.08838	2.3
161.06007	3.4
161.09596	6.0
161.13243	12.1
163.11182	3.2
165.12758	23.3
169.08559	4.8
169.10043	3.2
169.12250	17.6
171.07932	2.0
171.11707	15.7
173.08145	1.9
173.09619	7.3
175.07555	3.6
175.09770	3.4
175.11198	54.2
177.09122	3.3
178.08611	6.5
179.08881	6.1
181.10158	4.9
181.12215	2.2
187.05972	2.8
187.07565	3.1
187.11226	5.0
189.09145	4.2
189.12759	35.4
191.10689	4.8
191.14325	3.3
193.12256	47.9
199.11174	25.5
201.09158	3.3
205.12276	3.2
207.13773	20.4
209.11665	4.2
211.11302	3.6
211.13316	43.4
215.10779	3.4
217.12247	100.0
219.10094	5.2
227.12779	5.7
229.14302	7.6
233.11708	4.8
235.09711	3.9
235.13310	96.1
237.11142	4.2
251.12698	6.4
253.14371	53.9
269.10736	1.9
269.13742	3.3
271.15408	2.9
283.06061	4.9
283.13171	2.9
301.14059	2.6
319.15503	4.1
325.14398	3.4
337.16461	7.0
343.15457	4.9
361.16638	9.3
379.17508	14.8
397.09488	2.0
397.18552	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	396.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
56.96556	1.5
57.07078	35.0
59.05001	3.4
62.02242	1.0
69.07072	2.9
70.58758	2.9
70.83194	1.2
71.08633	44.7
73.06561	4.0
81.92518	1.0
83.08631	2.7
85.10184	36.0
87.04456	1.3
89.06036	100.0
99.11736	2.1
107.07067	3.7
109.06522	1.2
120.98263	1.1
127.14863	3.1
130.08604	2.6
133.07645	2.4
133.08607	41.0
141.16393	2.9
151.09691	3.4
177.11224	17.2
185.18997	5.3
195.12343	6.6
229.21654	8.4
235.15410	1.6
239.14899	25.5
253.16643	1.4
261.53864	1.3
273.24225	4.1
293.47885	1.3
307.35635	1.1
331.39532	1.6
335.27939	1.8
379.30569	44.5
380.30505	1.4
409.32715	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
56.96552	1.3
57.07077	54.2
59.05006	16.4
67.05494	1.6
69.07059	1.9
70.05510	4.2
71.08634	100.0
84.05992	0.8
85.10186	57.3
85.76579	0.9
89.06033	57.3
91.05502	1.1
93.07069	1.3
103.07587	3.1
107.07067	1.8
111.11668	1.3
121.06409	1.1
127.14849	9.6
130.08601	1.3
131.07063	1.4
133.08604	23.9
151.09654	1.9
155.03897	0.9
177.11221	25.9
177.12685	1.8
184.07365	2.2
185.19031	13.3
195.12273	22.3
195.13933	1.5
199.83080	1.0
229.21721	2.1
235.15303	4.2
239.14914	16.7
253.16449	3.8
269.60135	1.0
280.00037	0.9
281.10596	0.9
366.16541	1.1
379.25681	1.4
379.30554	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	396.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99410	0.5
55.01836	0.9
57.03399	1.1
58.24463	0.5
67.05489	1.0
69.07027	2.6
69.31629	5.1
79.05456	1.9
88.62253	0.6
97.06539	8.0
111.08080	0.8
123.90006	0.7
133.06430	0.7
143.08539	1.4
146.05965	0.9
146.29027	0.6
147.06799	7.1
157.10075	0.9
159.07996	1.3
160.11220	1.2
164.07079	1.2
171.07954	1.1
173.11847	0.7
174.09134	0.8
176.07002	2.7
176.10695	5.5
177.07851	9.5
177.09291	1.0
179.10648	1.3
185.09581	1.4
187.07523	0.9
188.10701	2.0
189.09132	1.7
199.07549	1.8
201.09045	0.9
201.11276	0.8
202.12288	9.6
204.10208	3.6
205.10951	1.9
206.11746	2.8
213.12724	1.8
215.10669	0.7
216.10135	2.0
216.13753	0.9
229.10857	3.8
230.15335	3.8
231.13812	4.1
241.12175	0.7
257.15256	0.8
258.14917	17.8
260.12720	2.2
273.13583	18.8
284.16422	0.7
302.17505	90.5
303.17905	1.5
305.16110	6.7
316.19055	5.5
328.18973	2.7
332.22079	0.9
334.20120	100.0
335.20462	1.7
346.20099	2.5
360.21725	12.2
378.22745	26.2
396.08072	1.3
396.23828	68.4
397.09073	0.8
397.24191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05246	0.9
55.01877	1.0
56.05037	1.4
57.03431	2.0
58.06590	4.1
61.02938	1.5
69.03431	4.8
70.06592	8.7
71.04998	1.5
71.56910	1.4
72.08139	2.7
73.02909	1.6
77.73163	1.0
81.03428	2.7
84.04504	1.1
84.08127	2.4
85.02925	6.6
86.09715	1.4
87.04478	1.6
91.05479	2.7
96.08142	5.1
97.02875	2.8
107.04964	1.0
107.08585	0.9
109.02838	1.3
113.09622	2.6
119.04919	1.3
123.04394	1.2
127.03931	1.8
130.06586	1.8
136.07582	1.2
137.05977	1.8
147.08084	1.5
155.08702	1.1
159.08005	1.3
159.09277	0.9
161.05968	1.6
164.07034	5.1
175.07550	2.4
175.11205	1.7
176.06940	1.4
178.08620	1.5
178.12306	5.1
186.66808	1.0
189.09140	3.1
192.10197	3.6
200.08475	1.2
201.09177	2.0
201.11424	2.8
202.15939	1.8
203.10841	4.4
212.08420	1.5
213.09213	1.2
213.12691	1.7
214.08644	1.1
216.10179	2.1
228.10202	1.8
229.10788	13.8
230.11801	2.3
230.15413	10.3
231.13838	3.3
240.13826	1.3
241.12234	3.5
244.09769	1.3
245.14120	1.6
252.11293	2.5
252.61441	5.4
253.11620	2.2
258.14899	53.3
259.15335	1.6
260.12842	2.3
273.13605	23.3
302.17517	73.5
303.17749	1.3
305.16241	7.1
314.63928	1.6
315.14520	1.4
320.18561	1.8
334.20126	100.0
335.20401	2.1
346.19980	2.6
364.16620	1.1
378.18008	1.7
378.22769	31.0
395.66898	3.1
396.08112	2.9
396.19763	3.4
396.23831	87.1
397.09360	1.4
397.14346	1.2
397.24051	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07185	1.2
53.03939	5.0
55.01878	7.3
56.96545	1.6
57.03438	6.6
57.07063	1.5
59.04999	1.2
61.02926	5.7
62.03979	1.0
68.99799	2.1
69.03078	2.1
69.03436	38.4
70.06768	4.5
71.04993	3.9
71.60828	1.2
73.02927	6.1
79.05460	1.6
81.03423	22.9
81.07068	2.0
83.04990	1.7
85.02910	100.0
87.00836	48.6
88.04711	1.0
91.03956	1.5
91.05486	2.6
93.07030	2.0
97.02901	27.9
98.97579	1.7
99.04460	12.1
103.05441	1.5
105.01874	83.0
105.07025	1.9
108.04508	2.1
108.47003	1.0
109.02885	28.9
115.03915	1.4
117.01817	1.7
121.06497	3.1
127.03925	70.0
129.01828	2.6
133.10088	1.1
137.06026	1.7
145.04961	36.5
147.02905	1.6
147.11687	1.3
159.02885	9.1
171.35683	1.2
175.99675	1.1
178.08662	3.4
189.03932	3.0
193.26384	1.0
213.03989	3.6
225.63704	1.3
231.05002	29.4
249.06041	9.1
249.84503	1.1
272.14624	1.8
282.18616	3.2
293.14441	1.1
298.21667	1.4
303.70020	1.2
308.36646	1.4
391.10989	1.7
396.21832	2.8
396.27982	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	396.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89989	0.2
55.05496	0.7
55.81303	0.2
56.96559	0.4
57.03414	0.2
61.62111	0.2
67.05496	0.4
69.03421	0.4
69.07059	0.6
69.57572	0.2
69.81819	0.9
70.06580	0.3
71.05000	0.2
73.48226	0.2
73.48610	0.2
79.05492	0.6
81.03416	1.1
81.07039	0.6
82.06602	0.3
83.04992	0.2
83.08601	0.3
85.02893	0.5
91.05500	1.0
93.07038	0.6
95.04952	0.4
95.08598	0.6
97.02892	0.3
98.21429	0.2
98.97561	0.6
105.07069	0.8
107.08553	0.4
108.04431	0.2
109.02879	0.2
109.10136	0.2
112.99186	0.2
117.07069	0.3
119.04922	0.6
119.08626	0.3
121.06506	0.4
123.08072	0.2
127.03904	0.4
128.98663	0.3
131.04930	0.3
131.08549	0.4
133.10127	0.3
134.06088	0.3
135.06799	0.5
137.05998	1.2
145.06520	0.4
145.10114	0.3
147.04463	0.2
151.07523	0.5
157.10150	0.2
161.05981	0.3
163.06296	11.4
176.07094	0.5
178.08644	100.0
179.09052	0.9
187.07530	0.2
193.12288	0.5
197.08272	0.2
219.13835	0.6
221.18011	0.2
225.15027	0.2
252.61504	0.4
255.06541	0.2
266.11600	0.2
282.83633	0.2
283.06107	0.2
314.13892	0.5
329.17496	0.4
361.20203	0.6
378.23026	1.0
396.21747	7.9
396.67758	0.2
397.22223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	19.8
57.07087	18.4
67.05521	17.0
69.07054	23.9
71.08612	9.5
71.29611	5.1
79.05477	12.3
81.07055	44.7
83.08613	59.0
91.05482	10.1
93.07054	23.4
95.08607	29.2
95.63334	3.7
97.10200	6.9
105.07048	16.9
107.08605	19.8
109.10170	27.8
119.08583	14.1
121.10159	10.8
123.11710	8.8
131.08566	7.9
133.10150	14.7
135.11711	15.2
137.13243	4.8
145.10127	10.9
147.11713	21.2
149.13264	10.1
159.11708	15.2
161.13246	18.0
163.14836	7.3
173.13232	12.8
175.14911	10.6
187.14806	12.3
189.16408	4.1
199.15109	3.7
201.16389	8.8
203.17870	6.5
213.16412	6.5
215.17941	7.8
227.17964	6.4
241.19644	5.6
255.21172	10.6
257.22595	6.3
285.25873	5.4
297.25800	13.2
299.27423	4.2
311.27267	11.0
395.36758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.192
Annotation	Spirotryprostatin A
Peak:m/z	Relative Intensity
54.07132	0.9
56.96565	1.4
58.20837	1.1
60.08142	1.1
69.03419	2.1
70.06605	1.5
71.05014	1.1
71.55296	0.9
72.87884	0.9
84.04523	1.0
84.96053	1.3
85.02904	1.9
97.02892	1.0
97.06593	0.8
98.06069	1.0
98.97594	3.4
104.05013	1.0
106.06577	1.2
110.97605	1.3
116.98663	1.5
118.06607	1.1
119.04907	1.2
120.08119	1.6
121.06542	1.8
122.06065	2.7
130.06529	28.6
131.06044	1.0
131.07372	1.1
132.08089	1.1
136.07591	1.2
137.04773	1.1
137.05978	1.9
144.08142	1.6
147.06757	0.9
150.05525	2.3
158.99783	1.2
162.09172	3.8
168.08183	1.0
180.08122	4.2
181.08847	1.0
194.09773	1.8
204.08203	1.5
206.09775	2.1
207.09036	1.1
211.08885	0.9
216.09024	1.3
219.01808	2.4
220.10083	1.4
221.10815	10.5
221.12874	2.2
222.11552	2.9
229.09836	3.4
233.10960	1.2
234.09911	4.6
235.10524	1.2
235.12564	2.0
237.02826	5.0
237.56583	1.1
247.10744	8.9
249.10329	1.9
262.14465	3.5
272.07620	1.1
290.12943	1.0
312.13394	5.1
318.16150	1.3
328.14572	1.5
332.09695	1.2
334.12314	1.1
336.13693	1.4
336.17197	1.6
337.11118	1.1
338.15036	2.1
346.15494	13.7
349.14484	1.6
350.15018	1.4
355.07095	2.8
362.15131	2.0
363.16019	1.6
364.16565	100.0
365.17288	17.0
378.10394	1.4
381.17035	2.9
396.19299	95.0
397.07602	1.6
397.19788	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	89.1
59.05005	21.8
69.07076	3.4
69.68082	1.5
70.67699	2.3
70.68026	2.8
71.08636	100.0
73.02917	35.0
78.03471	1.5
83.08612	2.1
85.10189	84.7
86.10527	2.3
89.06039	29.7
99.11747	11.5
103.07573	4.7
124.47595	1.8
130.08623	1.8
133.08620	13.3
141.16389	10.7
151.09631	6.0
177.11266	2.2
179.09271	3.2
185.19066	2.4
195.12282	25.0
199.20580	13.9
243.23196	3.3
349.29410	6.6
377.32758	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	395.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
56.96555	2.0
56.97991	0.8
58.06590	1.0
60.08170	10.5
61.02923	1.5
69.03432	1.8
70.06598	1.9
70.96786	1.6
73.02922	2.1
80.17677	0.8
82.09715	0.8
84.04510	2.4
84.08147	1.2
85.02905	2.3
95.01334	2.0
97.02924	1.1
98.97585	1.6
109.02920	1.1
118.06554	1.0
119.03423	1.1
120.08105	5.0
129.06987	4.4
130.05070	1.4
130.06529	36.4
137.05946	1.3
142.06531	1.6
143.07339	3.9
143.48311	0.8
144.08109	8.1
145.05133	1.2
146.06009	2.2
147.06509	1.0
147.07649	1.3
154.06519	31.7
155.07271	4.2
156.08087	9.6
158.06023	21.3
160.07539	1.0
168.08124	3.0
170.06024	13.8
171.06763	2.5
172.07574	24.3
174.05492	5.8
180.08127	2.7
182.06013	26.1
182.09541	1.2
183.06660	1.6
184.07568	12.1
186.05484	2.4
188.07051	3.6
190.08629	0.9
192.08162	0.9
196.07678	1.5
198.05464	3.3
198.09245	1.4
199.06364	2.2
200.07076	61.6
201.07419	1.3
208.07512	2.9
210.05557	2.6
210.09311	1.9
211.86850	0.9
212.07104	3.7
214.04999	2.0
218.08202	4.5
220.07599	1.4
222.05516	2.4
226.08597	1.8
228.06551	4.3
236.07095	3.3
238.08624	1.4
240.06508	3.3
246.07629	1.7
252.11473	1.1
254.08112	3.1
258.07651	3.3
264.06570	1.2
272.09274	1.6
272.94424	0.8
276.12207	1.0
282.07584	2.3
300.08725	10.0
318.09723	24.4
319.73587	0.9
336.10776	100.0
337.11221	2.7
359.12912	0.8
395.07874	1.8
395.13165	20.8
395.18198	6.2
399.14587	1.0
399.73706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28609	0.8
53.03949	5.7
55.01872	5.3
55.05522	5.5
57.03447	5.8
61.02932	6.2
67.05505	2.1
68.99800	1.3
69.03436	33.9
69.07076	32.9
69.07456	1.6
70.03768	4.1
71.04999	4.0
73.02927	6.3
81.03425	23.5
81.07061	1.6
85.02912	100.0
87.00840	37.7
91.03988	1.5
97.02900	34.2
98.20879	1.2
99.04469	14.5
103.03964	1.1
105.01875	79.6
108.04503	3.2
109.02142	1.3
109.02888	25.6
111.11725	4.9
115.03989	1.0
117.01849	2.7
126.05521	1.9
127.03928	75.8
129.01903	4.6
145.04971	44.6
147.02904	3.1
153.12735	1.1
158.56160	0.8
159.02919	15.9
171.02925	1.1
186.36612	0.8
188.70201	0.9
189.03983	5.0
191.14114	0.9
213.04021	3.4
219.13803	1.2
230.06592	1.6
231.05037	27.0
248.07729	2.0
249.06059	11.5
341.15961	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.6
57.07079	100.0
57.99835	0.8
59.05005	16.9
69.07053	2.5
71.08636	97.8
71.57265	1.2
73.59325	0.8
79.35329	0.7
80.36349	0.8
81.07079	0.9
81.66236	0.9
83.08612	3.6
85.10188	92.1
89.06036	55.7
91.05504	0.8
93.66943	0.7
99.11726	10.2
103.07578	3.6
104.08001	0.8
107.07056	2.5
130.08635	1.5
130.22928	0.8
131.07048	0.9
133.07637	1.4
133.08609	20.7
141.16403	5.3
151.09668	1.7
151.49228	0.8
155.00987	1.0
159.11700	0.9
177.11252	13.4
195.12308	17.0
199.20604	5.9
215.37955	0.8
221.82516	0.9
239.14809	3.0
259.15613	0.8
376.26126	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
54.12128	0.7
55.01873	5.2
55.05517	8.4
57.03434	4.8
60.04496	0.7
61.02930	6.9
67.05499	1.6
67.74372	0.7
68.99780	2.8
69.03429	34.7
69.07068	44.9
69.37556	0.6
69.61609	4.9
71.01350	0.9
71.05006	4.2
73.02912	4.6
78.25131	0.7
79.05515	1.1
81.03417	21.3
81.07062	1.5
83.01352	1.2
83.08624	1.0
85.02905	100.0
87.00829	48.1
87.04490	0.9
90.30364	0.8
91.03944	1.3
93.07031	1.1
95.04992	0.9
97.02891	38.8
98.21505	1.5
99.04451	12.4
99.05034	1.3
101.02390	1.0
105.01867	88.4
107.08605	0.8
108.04501	3.0
109.02877	24.3
109.10131	0.9
111.11732	6.9
115.03908	1.1
117.01853	2.5
121.06464	1.1
126.05492	2.1
127.03918	72.8
128.14336	1.5
129.01846	3.1
145.04958	43.9
147.02893	2.4
149.13251	0.8
159.02887	12.5
189.03932	4.5
213.03986	2.3
219.13930	2.1
224.45052	0.7
231.04991	25.5
231.07193	1.5
237.14964	1.5
248.07668	1.3
249.06064	16.6
323.15210	1.1
341.15720	0.8
345.74985	0.8
381.44324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70725	0.7
56.96563	0.6
57.07074	3.8
61.02903	1.2
67.05496	1.1
69.94877	2.9
85.02892	0.8
87.34235	0.6
91.05441	0.7
93.07031	0.7
95.08574	0.7
98.97601	0.7
105.07041	1.1
182.25015	0.6
199.16841	0.8
221.25139	0.6
278.18820	0.6
309.19952	2.2
317.17984	1.5
375.24725	2.4
393.26114	100.0
394.26584	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48956	2.6
53.03945	9.4
55.01892	4.0
55.05514	21.7
57.07064	9.7
59.05017	3.6
65.03959	5.9
65.52147	2.3
67.05508	30.5
69.07072	16.5
69.63178	2.7
71.04974	3.2
71.27475	2.2
79.05496	38.8
81.07063	65.7
83.04977	7.4
83.08614	10.0
85.06545	4.3
87.74866	2.0
91.05489	52.7
93.07047	75.6
95.04971	54.6
95.08614	52.6
97.06566	12.0
98.98490	5.2
103.05483	6.8
105.07040	100.0
107.08601	60.8
109.06511	15.4
109.10177	25.7
115.05502	3.8
117.07012	22.8
119.06078	3.4
119.08585	85.7
121.06525	20.8
121.10146	37.9
123.08051	7.0
123.11694	12.5
128.06239	6.5
129.07007	16.6
130.07816	6.9
131.08585	38.9
132.09392	2.8
133.10144	53.6
135.08044	5.1
135.11670	23.0
137.09605	5.6
141.06973	6.7
142.07782	23.5
143.08566	35.6
144.09334	9.6
145.06499	4.1
145.10133	67.6
146.07285	2.7
147.08089	5.0
147.11685	23.6
149.09677	5.5
149.13290	5.3
153.06900	3.1
155.01073	8.0
155.08517	11.6
156.09425	11.8
156.10570	2.8
157.10123	50.1
158.10864	3.8
159.08090	4.4
159.11710	43.2
161.09639	19.9
161.13258	10.2
163.11217	3.3
165.07039	3.8
167.08539	4.9
168.09322	6.7
169.10153	20.5
170.10951	9.4
171.11711	23.4
173.09634	3.2
173.13271	18.6
175.11214	10.7
175.14827	16.8
176.97554	2.8
179.08507	6.3
181.10167	7.0
182.10924	6.8
183.11743	23.0
185.13268	14.2
187.11200	9.5
187.14836	10.3
193.10182	3.5
194.10904	5.3
195.11772	9.1
196.12424	3.1
196.80482	2.3
197.13255	15.3
198.14372	2.8
199.11224	5.7
199.14890	6.7
201.12782	2.8
201.16400	8.2
207.11639	4.9
209.13293	13.9
210.13998	3.5
211.14815	10.2
213.16249	3.0
217.15804	3.5
219.11757	2.5
221.13374	4.1
223.14847	8.9
225.16420	8.1
227.14363	4.5
229.37140	2.9
235.14809	6.9
251.17863	3.5
253.15915	7.4
253.19463	3.7
263.17960	3.2
265.19492	4.8
284.60617	2.5
295.20511	2.6
304.26541	4.7
375.26898	6.1
393.27933	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	393.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80228	1.7
53.13845	1.6
53.29720	1.4
55.05521	1.5
55.32008	1.2
55.84782	1.4
56.96571	20.3
57.07068	1.3
67.05503	4.3
69.07090	1.5
71.08604	1.7
71.20631	3.3
71.95256	3.9
72.96029	1.5
79.05484	2.6
81.07038	3.2
84.96007	2.1
85.02897	2.9
86.09698	1.7
91.05489	4.2
93.07042	6.3
95.08604	4.4
97.96844	2.4
100.94291	1.4
102.97086	1.7
105.07034	2.1
107.08595	3.3
110.97577	10.0
119.08543	2.2
121.10139	3.1
128.98621	10.1
135.11703	2.1
137.05994	1.8
146.99623	5.0
156.86369	1.4
161.01212	2.0
189.04340	2.2
199.16917	1.7
239.09752	1.6
241.11029	1.9
263.09607	4.1
265.10944	2.1
269.10678	2.8
292.12509	1.8
303.12778	1.9
315.16327	62.0
319.22684	1.7
331.15723	4.5
333.17383	100.0
334.17880	3.3
351.18457	16.8
356.18970	19.4
374.19934	4.1
393.26291	13.1
393.71558	1.6
402.15814	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.4
63.13674	0.5
65.65538	0.4
69.07055	0.4
69.98041	1.8
79.05475	0.6
91.05501	0.5
94.46884	0.4
102.16473	0.4
109.10114	0.4
143.86147	0.4
163.07507	0.5
173.78175	0.4
219.56705	0.4
265.77475	0.5
287.84872	0.4
295.75537	0.4
333.17245	0.6
393.26126	100.0
394.26550	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	393.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
53.88720	5.0
55.01867	7.2
56.96563	9.1
57.03414	8.2
65.03933	5.4
67.05179	7.1
67.05511	99.9
67.60954	4.4
69.03429	33.4
69.07053	6.5
70.06583	12.9
71.04974	9.0
71.55779	5.3
72.08146	9.3
73.02906	7.9
81.03401	21.8
81.07045	20.9
84.04498	12.1
85.02909	90.5
85.06545	18.0
86.09672	11.4
87.00828	42.2
91.05488	41.8
95.08601	7.8
97.02888	31.9
97.03419	5.7
98.97584	9.7
99.04472	10.3
104.25855	6.1
105.01867	56.4
105.06989	10.6
107.04937	5.8
109.02896	23.6
109.09472	7.7
109.10164	100.0
120.08059	8.7
125.06026	6.6
127.03924	54.3
127.11172	24.8
131.00174	5.3
133.10071	5.4
137.05971	13.3
140.28217	5.1
145.04950	28.0
151.03915	10.8
158.99745	5.4
162.05476	8.3
171.08302	6.0
178.08620	15.9
189.01936	5.1
197.08168	6.0
231.04927	14.7
249.06390	4.8
295.06213	6.6
307.06033	7.9
351.08575	6.1
358.14557	4.7
375.20010	14.8
393.05273	7.3
393.09973	45.2
393.20697	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	393.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01876	3.3
55.05506	2.6
56.96561	1.5
57.03424	5.9
57.39214	1.2
57.61021	1.4
61.02930	2.6
65.03928	3.5
67.05509	100.0
67.66266	1.3
68.99775	1.4
69.03435	23.4
69.07064	1.8
69.57122	1.4
70.06592	2.7
71.04987	2.6
71.55700	1.3
72.08167	2.0
73.02922	3.9
81.03437	8.1
81.07071	6.3
84.44780	1.3
85.02908	54.5
86.09701	1.9
87.00841	25.3
91.05483	4.7
95.04979	1.5
97.02892	19.4
98.97575	3.1
99.04453	4.9
105.01872	41.4
105.07063	1.8
107.08524	1.7
109.02892	9.8
109.10162	58.0
119.04958	2.1
121.02875	5.3
127.03920	32.2
127.11191	7.3
129.01823	1.4
137.05971	2.2
145.02835	1.4
145.04984	12.0
145.10172	1.3
151.03954	3.1
153.01826	4.2
178.08621	1.5
203.03317	1.2
231.04944	7.4
249.06149	2.3
250.88100	1.2
259.08350	3.0
275.05679	1.6
279.06470	2.4
293.08191	1.7
295.06198	2.2
295.09503	1.5
307.06067	4.4
308.06854	6.3
321.07666	4.3
321.17987	1.8
323.09143	3.0
334.43686	1.4
337.07010	2.6
351.08679	7.3
365.10172	7.2
375.08774	3.1
375.20117	2.1
393.09723	37.6
393.14041	2.6
393.20218	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	393.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	7.0
56.96561	5.0
58.06606	2.1
60.08167	45.8
61.02929	2.2
67.55788	1.5
69.03436	7.6
69.07076	2.5
70.06604	9.8
71.04992	2.4
71.56400	2.9
72.08164	3.2
73.02898	2.2
81.03435	3.5
84.04507	4.7
84.08146	4.2
85.02901	8.5
86.09712	3.5
91.05485	2.9
97.02917	4.0
98.97583	18.6
98.98119	2.1
109.02894	5.2
111.00815	8.7
115.05474	3.1
116.98654	7.9
118.06549	2.3
120.08138	2.4
121.06583	2.3
127.03982	5.2
129.01950	1.8
130.06549	11.4
132.63766	1.6
134.99760	1.8
137.06018	7.9
138.06348	2.1
142.06541	4.6
144.04506	3.7
144.08109	5.7
145.05057	2.4
146.06033	5.2
147.04478	2.4
154.06551	8.6
156.04393	1.9
156.08142	4.4
158.06033	9.6
158.99716	7.0
167.07150	2.2
167.84482	1.8
168.04506	5.5
168.08163	4.1
170.06009	65.3
172.07645	7.6
174.05519	2.9
177.00780	6.0
178.16708	1.8
180.08154	4.4
182.06029	18.8
183.06834	3.3
184.04042	4.2
184.07608	14.1
186.05566	5.9
188.07161	6.8
189.04271	2.7
196.03929	2.1
196.07645	3.7
198.05510	16.7
199.06403	5.8
200.07048	11.7
201.00737	2.5
207.09338	5.7
208.07552	3.1
208.09924	2.2
210.05525	10.0
212.07054	12.4
214.04984	14.0
216.06740	3.1
219.01825	4.5
221.10707	10.1
222.11189	2.0
223.12437	3.2
224.07138	7.8
226.05124	2.5
226.08653	4.4
227.05905	6.0
228.06526	10.4
231.05505	3.0
236.07185	6.2
238.05087	6.7
239.11801	2.0
242.08151	2.7
244.05971	10.8
246.07730	3.1
252.06558	3.2
254.08182	4.9
256.06085	2.0
259.08298	3.3
267.11469	3.1
270.07565	9.6
274.07114	12.1
280.06210	6.4
288.08817	4.8
295.22617	2.2
298.07120	10.2
316.08194	48.3
333.14807	2.8
334.09210	73.6
351.09763	5.8
361.18427	2.1
393.17007	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93278	2.2
52.16878	1.8
54.04448	1.7
55.05510	2.9
57.07077	100.0
57.77531	2.0
59.05002	34.9
62.25494	2.0
62.28693	2.1
69.25764	19.9
71.08637	87.4
74.58576	2.1
83.08615	2.7
85.10187	67.0
87.04474	22.2
97.10163	3.2
99.11739	10.9
113.13251	8.3
117.09139	10.9
117.78461	1.9
146.58275	2.4
155.17935	9.4
207.92822	2.3
213.22166	8.7
240.93089	2.5
271.26349	5.8
311.06558	2.2
321.21600	2.2
357.76587	2.1
392.19745	5.1
392.35159	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85555	0.4
64.73705	0.4
69.59594	2.9
82.27119	0.5
86.09717	0.5
98.21413	0.7
101.00888	0.6
105.07005	1.5
196.08089	0.5
223.22813	0.5
247.08302	0.7
271.04364	0.7
302.30942	0.6
307.11664	2.6
325.11597	0.6
349.08109	0.7
349.12598	25.3
393.11575	100.0
394.11990	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	392.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93568	1.0
56.96568	43.7
58.06639	1.0
67.05504	2.5
69.07063	1.3
70.67373	1.4
70.67686	1.4
71.08633	2.2
71.94065	1.0
71.95274	6.8
72.96038	2.5
74.97620	1.3
79.05484	1.8
81.07047	2.0
84.08134	1.0
84.96018	2.2
85.02904	1.4
89.03291	1.1
91.03951	1.4
93.07039	1.1
95.08606	1.5
97.02872	1.3
97.96873	1.3
98.97586	2.0
108.31405	1.0
110.97598	3.8
113.58079	1.0
115.00663	1.2
115.97866	1.1
121.85201	1.1
127.71508	1.0
128.98613	3.8
137.02728	1.1
141.02225	2.2
146.99663	1.9
149.02385	3.0
150.02654	1.6
153.02264	1.9
155.03729	2.1
159.03278	1.6
167.03745	1.5
169.01697	1.8
171.03259	3.7
181.05368	2.1
183.06854	1.2
185.04910	6.2
189.04332	2.5
193.05354	2.2
195.06851	1.6
199.06432	11.3
203.05885	3.1
205.07468	1.6
211.06454	4.5
213.08000	9.6
217.07504	10.5
218.93907	1.0
219.08904	1.3
221.08522	1.7
222.08038	1.2
225.07962	5.6
227.09550	4.6
229.07605	6.5
231.06949	1.8
231.09016	8.7
237.07964	6.9
239.09491	3.6
241.11121	2.6
243.09096	5.5
245.10641	2.5
247.08566	3.1
249.08025	2.9
251.09540	7.9
253.11087	1.9
255.09062	30.9
257.10730	1.4
257.39886	1.3
267.09045	27.2
269.10605	39.1
273.10120	11.3
278.10675	4.4
285.10120	25.4
287.11600	8.9
290.10577	1.6
292.12161	7.3
296.11945	1.6
303.11484	1.1
308.11514	5.1
310.13400	1.2
315.16391	2.0
317.17859	2.7
323.18988	3.0
333.17389	22.4
351.18420	77.2
352.18777	2.0
369.19507	100.0
370.20181	1.4
374.20016	10.9
387.20438	4.6
392.20798	16.0
392.24918	42.4
392.36255	3.6
396.61765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24856	1.9
55.05499	1.9
56.96571	46.9
61.02929	4.0
66.91941	2.1
67.05521	2.4
70.84502	5.4
71.08612	1.7
71.95258	7.2
72.96034	3.3
78.88081	1.6
81.07087	3.8
84.96065	2.5
85.02906	3.6
86.09702	3.1
91.03963	3.7
97.02880	3.3
97.96853	1.7
98.97585	4.4
110.97552	3.9
117.95101	1.7
126.76365	1.7
128.98601	3.9
137.02788	3.1
137.05998	3.5
139.00731	1.9
145.01669	2.0
146.99687	2.3
149.02339	4.0
150.02654	2.5
151.00664	2.7
151.07410	1.9
155.03865	2.5
171.03307	3.8
178.92458	1.7
183.07021	2.4
185.04878	6.2
189.04428	2.2
193.05402	2.3
195.06927	3.6
199.06427	15.2
201.07980	6.3
203.05930	3.6
207.78268	2.0
211.06374	8.5
213.07993	23.0
217.07440	10.2
225.04338	2.2
225.07913	5.8
229.07477	40.9
231.09059	19.1
236.09599	3.6
239.09619	3.9
243.09052	9.2
245.10605	2.7
247.08553	27.3
251.09590	9.0
252.09071	6.9
255.09090	22.0
257.10669	3.7
259.12335	2.2
261.10098	2.7
267.09079	15.1
267.65723	2.3
269.10629	51.4
273.10165	9.6
278.10669	2.5
285.10074	21.1
287.11624	14.1
290.10510	2.3
292.12222	9.5
303.11029	2.7
308.11703	2.6
309.17221	2.2
309.70053	1.9
317.17682	9.4
333.17526	8.4
335.19144	3.6
351.18436	47.2
369.19519	100.0
374.20102	4.5
374.30649	2.4
387.20441	8.2
392.20996	18.8
392.36142	3.8
416.24310	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	392.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53548	0.3
52.15483	0.4
64.60200	0.4
65.03933	0.9
71.03979	0.7
91.04903	0.7
91.05482	14.3
91.08585	0.3
99.67136	0.4
109.06522	1.1
109.58153	0.4
117.28320	0.4
119.04950	9.7
123.04446	0.6
135.78535	0.4
137.05983	100.0
138.06317	1.2
146.70300	0.4
154.08636	36.1
163.04404	0.5
273.07355	0.5
276.32401	0.5
402.80942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01865	2.0
55.05509	5.8
56.05011	1.3
57.07069	1.4
58.06585	1.3
67.05502	10.7
68.76884	2.1
69.03447	7.7
69.03748	1.9
69.07065	5.5
70.06592	2.0
71.04986	5.2
71.56152	2.0
79.05501	15.7
81.03426	8.9
81.07067	24.0
83.04978	9.7
83.08601	3.7
85.02910	8.7
85.06538	3.2
86.09718	2.6
87.00835	1.4
91.05476	14.4
93.07053	37.7
95.04963	7.8
95.08611	21.7
97.02892	2.6
97.06531	11.4
98.97638	2.6
99.04455	10.6
103.05438	2.0
105.07042	22.2
107.04935	5.1
107.08605	22.0
109.02875	4.9
109.06511	18.9
109.10163	4.1
111.04472	3.0
111.08093	8.9
113.06047	2.2
115.87264	1.4
117.06984	2.5
119.08566	13.8
120.08129	2.2
121.06512	40.1
121.10150	5.7
123.04427	2.8
123.08063	4.2
123.11726	4.1
125.05978	6.1
127.03888	6.5
127.07559	6.5
129.07007	4.3
131.04897	1.6
131.08542	5.2
133.06465	1.4
133.10152	13.6
135.04390	4.9
135.08057	13.8
135.11670	3.4
137.06000	11.0
139.07573	9.0
142.07779	2.4
143.07019	4.2
143.08577	5.6
145.06499	2.4
145.10112	6.4
147.08052	3.5
147.11707	30.7
149.02339	4.1
149.09628	2.1
149.13213	2.5
150.02701	2.0
151.07544	3.1
152.16881	1.4
153.09151	3.8
157.10156	12.9
159.06490	3.0
161.06021	2.9
161.09537	1.9
161.13277	8.1
164.07086	3.1
165.12785	10.8
171.07928	1.8
171.10255	2.3
171.11670	15.2
173.09654	3.7
173.13264	2.1
175.07663	2.0
175.11195	19.5
181.10194	2.6
189.12769	20.2
191.14346	2.2
193.12253	15.4
199.11174	18.5
207.13835	17.9
211.13271	6.1
217.12270	59.2
229.03761	1.6
235.13306	100.0
235.17049	3.6
239.11850	2.2
253.14381	92.2
254.14679	2.8
271.02087	1.6
271.15411	5.2
321.13330	2.8
330.26132	2.0
357.15488	2.1
360.12735	1.9
374.19919	3.8
392.16525	4.7
394.22195	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	392.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42921	0.4
52.64355	0.4
69.91930	2.4
69.92249	0.4
72.80925	0.4
91.05486	14.9
104.84280	0.5
108.05099	0.5
109.06516	1.2
119.04958	11.0
120.05240	0.5
137.05986	100.0
138.06358	0.8
146.18864	0.3
154.08641	38.9
154.89259	0.4
283.10904	0.4
285.68802	0.5
311.80927	0.4
393.07895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03176	0.4
56.96553	1.3
57.07064	0.5
61.02916	0.7
62.02747	0.4
65.20181	0.5
67.05487	1.0
69.03423	0.6
69.07059	0.5
70.09030	2.0
71.08629	0.9
81.07036	1.0
85.02915	0.9
93.07045	0.7
96.00081	0.5
96.41193	0.4
96.52782	0.5
97.02879	0.8
98.97598	0.7
107.08605	0.9
139.67018	0.5
149.02339	5.1
188.85088	0.5
217.07414	0.5
269.10657	0.9
270.11179	0.6
275.38898	0.4
287.11707	0.6
287.30420	0.5
349.16904	1.3
350.17130	0.9
391.24564	100.0
392.25027	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.05524	9.0
56.96563	7.4
57.03420	2.5
57.07069	6.6
57.10916	1.6
58.19481	1.6
59.05012	2.0
61.02908	2.6
67.05504	18.1
67.54534	1.6
69.03434	3.8
69.07048	7.8
69.71394	7.9
71.08622	2.9
77.66141	1.6
79.05497	20.3
81.07061	35.3
83.04988	3.6
83.08628	4.2
85.06542	2.9
91.05479	29.7
93.07043	35.3
93.80202	1.9
95.04975	34.7
95.08607	19.3
97.06525	5.0
103.05478	3.7
105.04504	2.6
105.07036	48.9
107.08588	17.2
109.06502	8.5
109.10147	6.8
115.05441	3.0
117.07038	10.9
119.04919	1.8
119.08586	40.4
121.06511	8.6
121.10157	18.6
123.08037	1.9
123.11760	2.5
128.06235	10.7
129.07022	11.3
130.07816	4.0
131.08553	18.7
133.06490	2.7
133.10135	12.9
135.08012	3.6
135.11691	5.3
137.09698	1.9
141.06964	4.7
142.07791	14.5
143.08571	25.0
144.09306	5.3
145.06461	2.1
145.10127	37.8
147.08078	4.0
147.11688	9.7
149.02351	25.3
149.09621	3.3
153.07018	3.9
154.07756	3.3
155.08531	11.2
156.09355	8.9
157.10123	29.6
159.08063	6.3
159.11713	11.7
161.09592	5.7
161.13217	2.5
165.07042	3.2
166.07744	2.6
167.08531	7.2
168.09332	3.2
169.10146	20.1
170.10870	3.7
171.11714	18.0
173.09593	6.8
173.13249	10.3
175.11247	3.0
179.08559	7.9
180.09315	4.8
181.10133	11.3
182.10927	8.1
183.11655	14.5
184.12529	2.1
185.09631	2.2
185.13277	8.9
187.11217	3.5
187.14758	2.7
189.09201	2.5
191.08574	2.5
191.14316	6.6
192.09334	4.0
193.10132	14.8
194.10872	9.4
195.11725	14.1
196.12439	3.5
197.13278	10.9
199.11156	4.8
199.14841	6.4
205.10149	3.3
206.10872	5.6
207.11685	16.1
208.12486	5.2
209.13254	16.5
210.10443	1.9
211.11086	2.2
211.14842	7.0
213.12775	4.7
215.14409	2.3
217.10120	2.8
217.15802	2.3
219.11685	6.4
220.12427	3.6
221.13226	10.9
222.13977	2.5
223.14793	8.9
225.12715	3.5
225.16438	2.9
227.14262	4.3
231.11700	2.8
232.12399	4.4
233.13153	7.8
233.15398	4.8
234.13974	3.0
235.14876	11.1
236.15544	2.8
237.12714	2.2
237.16359	2.5
243.11732	2.3
244.12637	2.2
245.13220	5.2
246.14043	2.4
247.14738	4.8
248.15573	3.3
249.16348	10.1
251.14316	4.3
251.18033	3.6
254.10857	2.1
259.14902	3.3
261.16406	3.5
263.17941	5.8
265.15631	2.2
265.19467	3.2
267.17343	5.8
269.10654	3.7
269.18979	3.8
270.10846	1.9
271.14743	2.3
272.15375	2.1
273.16446	4.9
275.14542	2.2
275.17709	3.9
277.19110	2.1
279.17697	2.1
281.19119	2.4
282.19897	8.8
283.20508	2.1
287.11804	2.2
287.17673	1.9
291.17496	3.9
295.20435	2.9
297.18710	3.3
299.17676	2.8
307.20459	3.2
317.18665	3.2
331.13074	1.8
335.19919	3.4
349.16901	2.7
355.24338	2.5
363.26993	1.9
373.25204	18.6
391.15152	7.8
391.26114	100.0
391.35852	5.4
392.25552	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.3
56.96567	1.0
57.07078	1.0
67.05502	0.7
70.06580	0.6
71.08628	0.9
71.56332	0.6
73.02909	0.3
81.07047	0.6
81.32732	0.3
85.02947	0.4
91.05518	0.3
93.07072	0.6
95.08601	0.5
96.18536	0.3
97.02912	0.6
105.07024	0.4
109.10143	0.4
119.08559	0.4
129.94762	0.3
132.10191	0.4
146.68913	0.3
149.02353	4.4
158.99615	0.3
166.88638	0.3
167.03334	0.4
175.11234	0.3
211.06619	0.3
221.70241	0.3
225.07884	0.3
255.09058	0.7
267.09183	0.4
269.10654	0.6
285.10062	0.8
285.30038	0.4
321.16858	0.5
328.32089	0.4
329.32477	1.2
333.17453	0.5
351.18402	1.2
369.19418	1.7
391.24564	100.0
392.25183	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.4
57.07072	2.1
60.05212	0.5
61.02918	0.9
66.13931	0.5
67.05519	1.1
68.35735	0.5
69.03420	0.7
69.07061	1.5
70.06596	4.3
71.06938	0.8
71.08626	1.6
71.55873	0.6
72.08129	0.5
72.09013	0.5
73.02943	0.9
79.05479	0.5
81.07058	1.5
83.08628	0.6
84.08099	0.7
85.02914	1.1
87.83308	0.5
88.07628	1.5
91.05489	1.0
93.07059	0.6
102.09187	0.8
104.63292	0.4
105.07072	0.6
109.10166	0.7
119.08539	0.6
119.22974	0.5
132.10204	1.8
133.10530	0.4
133.90144	0.5
137.06041	1.1
146.11775	1.4
147.12074	0.8
149.01276	0.9
149.02339	6.8
167.03404	0.7
229.14377	0.6
285.29767	2.3
289.09567	0.8
300.93530	0.5
321.16980	0.6
328.32205	1.6
329.32413	10.1
350.17136	1.3
351.71564	0.5
368.18408	1.6
390.35922	2.9
391.24576	100.0
391.35999	30.4
392.24942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.03962	0.6
55.01872	1.1
55.05502	1.7
56.96561	1.3
57.03425	0.9
58.06595	0.7
60.04516	0.6
61.02927	2.1
69.03431	3.8
69.47820	2.9
70.06587	1.3
72.08137	0.8
73.02914	2.0
73.06551	1.7
77.03922	0.6
78.03457	1.3
80.05022	0.4
80.19301	0.4
81.03413	1.6
84.04493	0.8
84.08144	1.1
85.02422	0.6
85.02906	5.8
86.09698	1.0
87.04455	0.7
88.68773	0.4
90.05580	0.8
91.05481	3.6
93.07057	5.2
95.01333	0.6
95.04977	1.1
97.02892	4.1
98.20746	0.7
98.97599	2.2
99.04449	0.6
99.07095	0.4
101.00916	0.6
101.02360	0.7
103.05480	2.2
105.04543	0.4
106.02927	7.4
106.14741	0.4
107.04993	0.6
109.02882	1.5
116.98624	1.0
119.01912	0.8
119.04962	0.5
120.08008	0.4
121.06510	100.0
122.06852	0.8
123.04433	17.8
124.03944	5.9
127.03915	3.3
129.10205	0.6
130.05034	0.5
131.01912	0.6
131.05585	0.5
137.05981	6.8
138.05275	0.7
138.09145	33.4
141.05458	1.4
143.01909	0.9
144.01880	0.4
145.04939	1.3
146.04160	0.6
146.99736	0.6
147.05786	1.5
152.07071	4.8
154.08601	1.3
155.01936	0.7
155.04649	4.1
157.04970	0.5
158.99678	1.5
161.01350	0.4
161.02902	1.1
164.05199	1.5
168.06511	0.5
173.02945	0.6
173.06616	1.2
176.16803	0.4
177.00739	0.8
183.08701	0.6
185.02896	0.6
185.06706	0.9
189.04224	0.5
191.07596	0.4
203.04088	0.4
203.07753	0.5
204.04692	1.6
204.09201	1.2
207.05084	1.2
210.07394	0.6
219.01671	0.6
219.07893	6.4
219.57913	0.9
220.06004	0.7
221.04942	0.7
228.08577	0.6
234.05743	0.9
237.02904	0.4
245.04939	0.7
250.07114	0.9
255.06422	1.1
257.08255	0.4
264.11255	2.5
264.61472	0.8
265.07474	1.9
268.08115	4.0
272.10272	2.0
275.09805	1.0
293.10837	0.8
297.70450	0.4
390.14572	0.8
390.19910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00961	0.9
55.05519	0.8
56.96571	47.7
67.05498	1.1
69.07071	2.0
70.06588	1.4
70.81178	0.9
71.57018	1.4
71.95268	5.8
72.96034	2.3
73.07102	0.9
79.05508	1.8
81.07050	2.1
84.96066	2.1
85.02892	1.0
91.05503	1.3
93.07022	1.2
95.08630	1.1
97.02870	0.8
97.24654	0.9
97.96820	1.4
97.99189	1.0
98.97591	3.2
99.01775	0.8
105.00184	1.7
107.08613	1.1
110.97540	5.1
115.00737	1.5
116.98649	1.3
119.01815	1.6
119.08585	0.8
127.00716	1.6
128.98582	4.3
129.02264	0.9
132.10237	1.8
137.02757	1.4
137.06030	6.0
139.00684	1.9
141.02223	2.2
146.99683	2.8
151.00662	2.4
151.68719	0.9
153.02232	2.4
155.03870	2.7
157.01759	2.1
159.03268	2.3
161.01289	1.1
161.04805	0.9
165.02361	1.2
165.05965	1.2
167.03793	2.5
169.01750	2.4
171.03304	7.9
173.02959	2.6
173.04672	1.0
175.02777	1.1
181.05399	0.9
183.03305	1.7
185.04863	8.8
187.02841	1.0
187.06419	1.7
189.04359	4.9
195.03232	1.0
195.06979	2.5
197.08456	1.2
199.06441	10.8
201.04297	1.3
203.05875	5.9
207.07048	1.2
208.06544	1.1
209.04860	1.4
211.06424	3.9
213.07994	16.4
215.05989	1.3
217.07475	11.2
221.08569	1.7
222.08101	1.5
225.08031	9.1
227.09547	3.5
229.01799	1.3
229.07503	4.6
231.06949	2.2
231.09045	14.7
235.06519	1.0
236.09578	1.1
237.04402	1.6
237.07939	4.3
239.09662	5.7
241.11192	1.5
243.09047	6.5
245.10707	2.1
248.09509	1.2
249.07947	4.4
251.09566	18.7
251.12115	1.0
255.09065	26.8
257.10614	3.2
259.12192	1.1
261.76746	1.1
267.06821	0.6
267.09058	38.6
269.10626	100.0
270.10745	1.7
273.10089	11.7
278.10541	5.4
279.90259	0.9
281.10791	1.7
285.10120	42.5
285.13284	2.2
287.11710	24.1
289.04172	2.1
290.10571	5.1
292.12219	19.2
303.11203	3.7
308.11703	4.9
310.13214	2.1
331.15860	10.6
349.16888	30.3
350.17426	1.5
367.17966	59.3
368.18375	1.8
372.18423	2.4
385.18994	4.6
390.19608	13.5
390.27255	2.4
390.35788	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	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	66.4
69.07063	1.9
71.95277	8.2
72.96043	4.1
76.83152	1.3
81.07033	1.6
84.96018	1.9
97.02915	1.6
97.96831	2.6
98.97578	2.6
105.00172	2.3
107.91346	1.3
110.97567	7.7
115.00684	1.9
116.98526	1.4
119.01667	1.9
119.08572	1.8
128.98613	6.6
137.02756	3.5
137.05981	4.8
139.00676	2.6
141.02255	1.5
146.99669	2.4
149.02521	1.4
151.00613	1.4
152.00177	1.4
153.02260	5.5
155.03711	2.2
157.01727	2.0
159.03279	2.0
165.02261	1.3
167.03828	5.3
169.01642	3.2
171.03311	11.6
173.04881	1.6
175.02782	1.9
177.05852	1.5
181.05386	3.4
183.03285	2.7
185.04852	14.0
189.04335	4.8
191.05891	2.1
193.05557	2.5
195.06976	2.6
197.04803	2.3
199.06432	16.8
203.05943	8.7
207.06908	2.8
211.06396	6.7
213.07983	13.9
217.07480	14.1
225.07967	11.0
227.09554	4.9
229.07436	2.0
229.19305	1.4
231.06996	3.1
231.09041	7.2
237.04424	1.6
237.07869	8.0
239.09642	7.6
241.11143	1.8
243.08994	4.7
245.10590	5.2
249.07997	12.9
251.09465	16.4
253.07414	2.3
253.11046	1.9
255.09061	37.9
257.10587	3.2
267.09052	67.7
267.11945	3.3
269.10623	77.7
273.10065	18.0
278.10675	4.7
279.09155	4.0
285.10129	69.6
287.11658	18.9
290.10638	5.8
291.12473	1.8
292.12299	8.2
297.10214	2.3
303.11166	5.7
308.11707	6.9
309.13486	2.7
331.15829	21.9
349.16882	64.0
350.17471	1.6
367.17944	100.0
368.18085	2.8
372.18561	3.6
385.18982	5.8
390.19162	16.3
390.24026	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	390.191
Annotation	14-Hydroxyisostephodeline
Peak:m/z	Relative Intensity
53.03958	0.9
55.01868	2.1
55.05507	1.7
57.03429	2.4
61.02910	0.7
67.05511	1.1
69.03420	2.0
69.07061	3.0
70.06587	1.7
70.79591	1.6
70.79928	0.8
73.02921	0.8
79.05477	1.9
81.03415	1.0
81.07053	1.6
85.02905	4.3
85.06554	1.1
91.05472	3.2
93.07033	1.6
95.04951	1.1
95.08585	0.8
97.02909	1.2
97.06524	1.4
103.05456	0.7
105.03386	1.1
105.07018	3.1
107.04938	0.9
107.08573	1.8
108.08883	1.0
109.06515	1.3
117.07047	1.7
121.06483	2.1
125.09629	3.0
126.09940	1.4
127.03904	1.4
130.65022	0.8
133.06511	1.7
135.08052	2.3
137.05957	2.7
149.05931	0.7
149.09586	2.2
150.06816	1.8
150.09993	2.7
153.09096	1.1
154.09563	1.0
161.06001	2.3
163.07634	0.9
164.05667	1.4
164.07074	26.3
164.15131	0.8
165.07660	1.1
165.09084	8.9
167.07101	1.7
181.08572	4.0
184.09705	1.0
191.14304	1.1
192.14685	2.0
193.08591	1.8
199.09700	3.2
209.15407	3.1
210.09113	0.9
210.15720	6.5
213.56242	0.8
214.08664	0.9
222.09019	1.0
224.10742	1.5
226.08693	1.7
228.16725	1.0
236.10738	2.2
237.11429	2.8
238.12372	1.3
240.09996	1.5
242.11778	7.3
248.10724	1.0
249.11493	1.4
251.12997	1.5
252.10287	0.9
254.11713	2.0
256.13425	1.8
264.10220	3.2
264.13907	1.0
265.11017	1.7
266.11749	9.7
268.13330	2.6
270.14844	4.1
272.09070	1.0
272.12775	1.2
280.13339	11.3
281.14124	15.1
282.11816	0.7
282.14883	15.4
283.12039	1.0
286.10718	1.6
287.11383	1.4
294.11237	1.2
294.14838	1.2
296.12787	1.1
296.16403	2.3
298.11050	1.8
298.14359	6.2
300.12305	2.1
302.80939	1.0
309.13773	1.1
312.12631	0.9
312.15906	1.8
314.13721	2.0
318.13345	4.8
324.12082	1.6
326.13800	2.5
328.15417	2.8
330.16940	9.1
332.18405	0.9
340.15448	27.5
341.16171	3.1
342.13211	3.9
342.17059	2.3
343.13998	1.0
356.14948	8.6
357.15668	2.7
358.16409	1.2
369.85092	0.8
372.14551	6.3
372.18106	100.0
373.18411	2.2
390.19202	70.2
391.08063	1.5
391.19321	1.1
406.76761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
57.95889	1.0
61.02943	1.1
63.21574	1.1
69.03424	2.5
70.69527	1.7
73.02937	1.4
81.03417	1.5
85.02893	4.6
87.04430	1.2
89.02374	0.8
91.05490	1.1
95.04977	2.1
97.02930	1.2
101.00875	1.2
101.02370	1.5
106.02927	3.3
115.03897	2.3
121.06490	2.5
123.04436	100.0
124.03960	6.7
124.04739	1.3
127.03937	2.1
127.12421	1.0
129.01877	1.1
132.44472	0.9
137.05991	8.9
140.89136	0.9
143.01982	0.9
143.03329	1.2
145.04929	1.6
152.07072	29.6
154.08615	2.5
157.01331	1.6
157.03516	0.9
161.02917	1.1
161.04422	1.9
161.52095	0.9
164.07011	1.1
166.08658	4.8
173.03079	0.9
189.03940	5.5
203.05553	3.8
207.05032	2.7
221.06717	1.1
239.06105	1.0
250.07202	1.2
260.06161	1.1
268.08173	3.9
306.46066	0.9
330.07019	0.9
366.05203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01866	6.3
56.96556	3.3
57.03430	4.3
58.06593	3.8
58.19191	1.8
61.02909	6.2
69.03422	16.9
69.07053	2.3
70.06600	11.3
71.17807	2.0
71.56084	3.5
72.08157	5.8
73.02897	3.0
79.05502	6.3
81.03412	7.8
84.04474	4.8
84.08128	5.4
85.02908	34.1
86.03239	3.3
86.09709	6.1
87.04461	4.4
91.05487	12.4
95.04933	2.4
97.02897	14.8
98.97578	6.8
99.04443	3.3
103.05459	6.8
105.06385	3.8
105.07038	47.2
106.02894	2.6
106.06568	2.3
107.04945	5.7
109.02876	6.2
115.05463	10.4
118.04144	4.7
119.04926	8.6
121.06480	2.5
123.04436	6.4
124.03960	3.9
124.07582	5.7
127.03912	9.0
129.10231	2.4
131.04950	3.7
133.06506	49.7
137.06004	12.3
143.04973	2.8
143.06036	4.5
145.04973	5.4
147.04375	2.9
147.08000	4.2
149.05923	5.2
151.03874	3.3
151.07509	3.5
153.05479	3.5
158.99622	2.2
161.05998	100.0
164.07108	10.4
165.05421	2.3
165.07491	3.3
165.09012	2.8
167.07072	4.6
178.08589	3.8
180.08688	3.9
184.65932	2.1
193.08618	90.7
201.00797	2.6
211.09662	15.9
213.11116	2.3
223.12231	2.9
237.02960	2.9
242.11804	10.2
246.61292	2.6
247.11964	3.3
308.64032	4.4
309.14603	3.6
330.16989	5.8
390.14832	7.7
390.18790	11.0
391.08218	2.9
391.19843	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	389.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13992	0.4
56.96561	1.0
62.22793	0.4
67.05505	0.7
68.36924	0.3
69.03376	0.4
69.07061	0.8
69.71342	0.3
71.55485	0.7
75.86143	0.3
79.05495	0.6
81.07039	0.8
90.96747	0.4
91.05473	1.2
93.07026	1.0
95.08649	0.5
105.07020	1.2
107.08564	0.8
109.10181	0.5
117.07040	0.7
119.08594	0.7
121.10165	0.5
131.08580	0.6
133.10124	0.5
136.71761	0.4
137.06062	0.5
137.26601	0.3
145.10112	0.5
167.30331	0.4
209.37775	0.3
225.06485	0.4
320.48688	0.4
320.86334	0.4
330.14417	0.5
348.15598	0.6
349.16864	1.0
366.17102	0.6
368.92737	0.4
389.22980	100.0
390.23349	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63681	1.5
57.03422	3.3
65.03942	2.0
70.10136	3.8
73.02901	1.8
77.36900	1.4
85.02890	2.9
87.04472	1.9
91.05487	18.9
98.97585	2.1
107.04943	1.7
115.03922	4.6
119.04967	11.0
121.06504	25.7
123.04433	81.0
127.03925	2.7
129.01862	1.5
133.20322	1.8
137.05983	100.0
138.09148	7.2
143.03342	3.1
152.07063	27.5
154.08627	39.5
154.09830	3.1
157.01347	4.5
171.03003	1.9
177.21709	1.6
189.03963	10.8
203.05443	2.6
207.05029	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	390.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
53.03957	3.0
57.03428	1.5
57.56395	0.5
65.41813	0.4
65.53015	0.4
67.48006	0.4
69.03432	10.7
70.44781	0.6
70.45126	1.6
71.04971	1.2
72.67753	0.4
75.78867	0.5
78.03022	0.9
78.03460	14.1
80.05021	2.6
81.03424	16.5
85.02908	10.2
87.04449	0.7
96.04493	1.4
97.02888	4.4
99.04464	2.1
100.62001	0.7
106.02924	56.6
107.03252	0.6
109.02890	11.4
115.24801	0.5
124.03962	100.0
125.04288	0.7
127.03923	6.3
156.30188	0.6
166.04984	2.0
175.80243	0.4
186.35136	0.5
196.06100	0.9
232.06071	4.7
250.07147	19.4
260.38635	0.5
268.08176	60.7
378.42230	0.5
390.13989	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	388.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	1.9
58.06592	2.1
59.04997	6.3
61.02929	2.2
62.39614	1.1
67.05494	1.3
69.03423	4.7
69.22858	5.8
69.23292	4.6
70.06582	4.0
72.08154	1.6
79.62139	1.1
81.03403	3.2
84.04494	2.3
84.08157	1.8
85.02911	13.2
86.09689	2.5
87.04422	1.4
88.11272	4.1
89.06031	65.0
95.04984	3.2
97.02891	4.9
98.97609	2.6
99.04493	1.4
103.07573	3.8
105.01888	1.3
107.07064	3.0
109.02883	2.8
110.07115	1.9
116.98542	1.4
117.99871	1.4
121.02872	2.8
121.06489	1.5
122.06075	1.3
124.03956	1.8
127.03910	5.9
133.08600	10.8
137.06021	1.7
138.05515	1.9
140.07077	3.8
145.05003	1.6
151.09660	48.6
154.05005	3.3
164.07100	1.5
167.07042	5.1
168.07405	2.6
170.02643	2.0
177.07912	2.2
177.11862	1.0
182.08070	2.1
192.10199	4.0
193.08777	1.4
209.13844	100.0
212.10611	1.5
223.12173	1.5
248.52063	1.3
298.22641	1.2
309.79266	1.1
388.12433	1.8
388.17850	2.4
389.18549	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	1.2
67.05507	1.6
69.07058	1.4
69.54134	3.3
69.54541	1.8
79.05495	1.2
81.03355	0.8
81.07059	1.4
85.02909	1.8
91.05465	1.2
93.07023	1.1
119.08656	0.9
137.05992	1.5
226.11909	0.9
267.08844	1.0
273.38739	0.9
299.03391	0.8
389.23010	100.0
390.23407	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
53.70949	1.2
55.01881	2.3
57.03438	5.9
57.42298	1.1
59.05009	1.3
69.03432	48.6
70.06571	1.2
70.71484	3.0
71.01339	1.7
71.04995	9.3
73.02926	1.4
81.03420	30.0
83.01329	3.8
85.02908	54.5
87.00834	29.4
87.04465	3.4
91.05511	1.6
93.94939	1.0
97.02895	73.3
99.04462	26.7
101.02401	2.1
105.01862	24.4
105.07044	8.7
109.02866	10.8
115.03924	2.4
127.03921	100.0
136.07584	1.8
137.05951	2.3
145.04965	73.7
153.42342	1.1
171.02884	2.7
194.08133	1.1
202.56186	1.2
213.03947	2.3
231.05008	57.1
249.06076	30.7
250.09882	1.3
266.08746	1.7
281.11777	1.3
282.12415	1.4
293.99396	1.2
298.11874	1.4
342.17172	1.4
370.16315	1.6
388.17557	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98975	2.1
53.03935	3.6
55.01860	5.3
57.03435	4.2
61.02920	5.0
61.17250	2.0
63.43132	2.2
69.03427	33.4
70.32552	7.5
71.04971	4.2
71.65341	2.0
73.02909	6.6
81.03419	23.8
85.02907	100.0
87.00832	46.8
91.03924	2.7
94.84342	1.9
97.02894	36.0
99.04468	12.3
105.01866	74.6
105.02574	3.8
105.07027	12.1
108.04478	3.4
109.02882	28.5
117.01849	3.6
127.03914	68.0
129.01822	4.4
145.04953	37.9
159.02943	11.9
189.03865	3.6
213.03978	3.3
213.09149	2.8
231.04999	26.4
249.06017	9.9
272.28668	2.2
338.32080	2.5
372.21762	2.1
388.16385	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	388.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.8
58.74512	0.4
69.03418	0.8
69.45085	2.8
70.06569	0.5
71.08237	0.9
71.08634	17.6
84.08150	0.5
84.93415	0.4
85.02899	1.2
88.11273	100.0
88.74593	0.4
89.11611	0.5
97.02913	0.5
98.97633	0.5
102.43859	0.4
106.04942	0.4
114.86794	0.4
121.06511	0.4
124.03949	0.6
127.03975	0.5
136.06192	0.5
137.05962	0.8
151.07521	0.5
164.07050	0.3
167.07066	0.7
168.07407	0.8
343.91077	0.4
348.21188	0.5
388.13898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.28558	1.2
57.78085	1.1
62.78681	1.1
70.18518	4.1
71.01347	3.9
79.05486	3.4
85.02888	3.7
91.05434	1.3
93.24897	1.2
94.36073	1.1
95.04959	6.5
97.02892	1.2
97.18823	1.4
98.97581	1.2
103.03990	1.5
114.27518	1.3
116.40091	1.2
121.06492	3.0
122.07111	1.8
122.33994	1.4
123.04433	100.0
131.03426	2.8
137.05963	11.6
138.09154	2.2
152.07069	72.5
157.04916	1.8
159.02924	7.9
208.09715	1.4
219.05002	16.7
226.10722	3.8
237.06010	2.3
356.11389	1.6
388.13248	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1059
Annotation	Pyraclostrobin
Peak:m/z	Relative Intensity
67.05485	0.7
71.54746	0.7
74.46562	0.6
75.04459	1.1
78.04705	0.7
79.05489	2.1
81.07054	1.1
85.36786	0.6
87.57526	0.6
91.05476	3.3
92.02618	0.6
104.05001	8.0
105.05069	1.0
105.05779	21.2
106.06582	3.5
107.07327	0.9
109.06495	0.9
115.06908	0.7
116.04977	1.4
117.05769	1.7
118.06529	4.7
119.03686	10.0
119.05981	0.7
119.07303	0.7
120.04469	12.1
121.06496	3.2
123.06778	3.0
126.01035	0.9
130.02902	2.7
132.04463	21.5
133.05234	33.3
134.02412	1.4
134.06046	10.3
146.06015	3.2
148.03949	1.3
149.04732	41.3
156.32819	0.6
161.04659	0.8
162.05516	21.2
163.06294	100.0
164.07080	47.6
166.08643	1.4
174.05505	0.8
179.05820	1.2
191.08133	0.7
193.01875	0.7
194.08134	48.5
205.23016	0.7
216.06567	1.2
218.08382	1.3
233.09370	0.9
235.47444	0.6
243.08063	1.2
253.05304	2.0
261.09012	1.6
281.04913	1.0
296.05878	20.1
309.24374	0.7
324.05466	2.6
353.27295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
52.59150	2.2
55.05492	3.4
57.03416	2.6
57.07060	3.8
67.05505	23.5
69.03425	10.6
69.87427	2.6
70.06577	8.6
70.09023	10.3
71.04991	4.1
79.05480	5.8
81.03432	3.7
81.07062	4.7
84.08149	3.0
85.02915	18.7
85.06551	13.9
86.09711	7.4
91.05467	9.4
93.07047	10.4
95.08614	100.0
97.02870	6.4
105.07012	8.7
107.08593	10.7
109.06551	3.4
109.10182	5.3
113.06019	13.6
119.04936	6.3
119.08598	17.2
121.06508	3.1
121.10135	8.9
123.08089	35.8
123.11707	8.6
124.98249	2.3
127.03934	5.0
131.08595	3.5
133.10147	5.8
134.43420	2.5
135.11693	13.6
140.31088	2.7
147.04402	5.0
147.08060	2.8
147.11650	9.5
149.08415	3.1
149.09634	46.3
151.07504	6.8
151.14795	4.5
161.09557	2.7
161.13260	11.2
163.11172	9.3
165.12769	8.4
167.07051	6.7
171.11728	2.6
175.03920	6.5
179.14322	5.2
189.12784	23.2
207.06554	12.9
207.13829	89.4
225.14851	9.1
277.68747	2.7
333.16727	2.8
351.17996	3.6
387.20343	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	387.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.1
53.40395	4.1
55.01863	26.6
55.05512	14.3
56.05028	10.1
56.96553	4.9
58.99574	14.2
61.02911	4.4
65.03934	4.1
67.05502	19.5
69.03432	10.6
69.07064	17.4
69.80091	15.2
69.80502	10.3
70.02945	12.1
70.06585	7.3
72.04500	6.5
73.01135	7.3
73.02928	6.0
77.21244	4.1
79.05489	30.7
80.04986	9.2
81.07054	42.4
83.04995	5.0
84.04493	17.3
85.01122	12.3
86.00669	28.2
87.02677	12.6
87.05579	6.0
88.02203	7.9
90.05546	11.7
91.05494	24.2
93.07050	34.8
94.06599	23.2
95.04946	5.5
95.07342	20.9
95.08588	21.1
96.08112	12.6
97.01096	12.3
97.06513	5.9
98.02431	8.5
98.09673	6.6
98.97558	5.3
99.01408	7.0
99.02659	6.9
99.05585	8.7
100.02199	8.3
102.05544	16.7
104.01678	14.4
105.07005	21.3
107.08566	32.4
108.08125	21.9
109.06513	15.3
109.08868	4.7
109.10163	12.1
110.09672	11.2
111.02670	22.7
112.02192	9.6
112.03937	6.5
113.04221	13.5
113.07168	4.6
115.05813	5.2
116.01690	22.2
118.97066	4.1
119.08566	11.6
120.08138	9.5
121.08869	13.0
121.10113	6.6
122.09633	36.0
124.11260	8.1
125.04205	19.0
126.05521	31.7
127.05014	17.3
127.05850	9.4
128.05304	19.5
130.06871	8.4
131.08575	7.5
136.11185	16.3
137.04240	9.1
137.06021	9.7
139.05792	17.5
141.06586	31.6
143.02727	7.6
144.06537	9.8
145.06126	6.3
147.11647	4.7
149.13289	10.9
154.06859	100.0
155.05232	10.0
156.08461	32.9
157.06161	6.3
158.02722	19.8
158.10034	5.2
159.07669	46.0
165.15112	11.0
166.15970	28.7
170.11821	7.8
176.03793	9.3
177.12807	5.9
181.10448	19.2
182.06360	5.4
185.03764	5.6
191.04874	12.7
195.12080	12.9
214.31926	4.7
224.14711	32.6
225.12303	8.0
227.13919	8.3
252.14201	23.5
253.09821	6.0
254.15845	6.6
271.11121	93.1
273.12634	17.5
289.12250	11.0
299.10632	45.4
341.18958	96.4
369.18420	65.5
387.19501	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	387.1439
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03943	1.1
55.01872	0.7
55.05521	0.6
58.45810	0.5
65.03931	1.6
66.04725	0.5
66.07522	0.4
67.05495	1.4
69.03423	2.2
69.07053	0.8
71.05000	0.6
73.02896	0.5
78.65735	0.6
79.05483	1.8
81.03419	1.6
81.07046	1.3
82.04166	0.5
83.08630	0.5
85.02876	2.5
91.05480	2.0
93.03374	0.6
93.07053	0.8
94.04196	2.2
95.04958	1.1
95.08578	0.7
97.02919	1.1
97.06506	0.6
98.21576	0.7
98.97596	0.7
103.05472	4.0
105.03373	0.6
105.07024	1.2
107.04953	2.6
107.08603	0.6
108.02081	0.6
109.02875	1.8
109.10135	0.7
111.04428	0.5
115.05486	2.7
117.03443	0.5
117.07029	2.6
118.04150	1.6
119.04961	1.3
119.08629	0.9
119.09581	0.5
121.06548	0.5
122.03646	7.0
123.04443	1.2
123.08022	0.6
124.05197	0.6
125.05971	0.7
127.03921	1.4
131.04947	4.4
131.08577	0.9
133.06508	1.1
135.04422	0.8
137.05978	100.0
138.06273	1.2
142.02666	0.7
143.04922	3.2
145.06487	2.9
147.04388	0.6
147.11670	0.7
148.05196	2.4
149.06027	1.0
151.03906	11.6
151.05014	0.9
152.04788	0.9
153.05469	0.9
155.06053	1.1
157.10130	1.1
159.08008	0.5
159.11722	0.7
163.07561	3.6
165.05522	0.7
165.09279	0.6
167.07047	12.1
167.08449	1.1
171.04456	0.5
171.06549	1.1
173.06018	3.9
173.13286	1.5
175.07539	1.6
177.05511	0.8
179.07150	0.6
181.04950	22.8
184.07329	0.6
189.05524	0.7
191.07021	13.2
191.08749	0.7
195.06448	0.6
197.09650	0.6
197.13287	0.9
203.07077	1.6
205.08542	2.0
207.06450	1.2
209.08009	0.6
230.25212	0.5
233.08072	0.8
235.09567	2.5
265.15775	0.6
279.10330	0.6
283.16956	0.9
291.10233	0.7
305.08047	0.6
311.09406	0.8
325.10901	0.6
337.10657	1.2
339.12158	0.9
351.12109	1.0
355.12140	0.8
357.13336	12.5
369.13318	0.8
387.14368	35.8
388.14951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1443
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03941	0.9
55.01873	1.4
55.05503	0.7
56.96586	0.6
59.05000	0.7
65.03934	1.6
67.05505	1.3
67.46823	0.5
69.03442	3.1
69.07072	0.9
70.06582	0.6
71.56733	0.8
75.12601	0.4
79.05490	2.3
81.03406	2.1
81.07057	1.6
83.04967	0.7
83.08605	0.8
84.08111	0.6
85.02901	2.0
91.05470	2.7
94.04201	3.0
95.04951	1.2
97.02884	1.2
103.05485	3.7
103.22820	0.5
105.07036	1.2
107.04954	2.2
108.02058	0.6
109.02871	1.9
109.06501	0.8
109.10152	0.9
110.03687	0.8
111.04459	0.5
115.05468	1.9
117.07037	1.8
118.04110	0.7
119.04967	1.2
119.08598	1.1
121.06527	0.6
122.03650	8.6
123.04420	1.3
123.72681	0.5
124.05251	0.5
125.06008	1.1
125.94995	0.5
127.03913	1.4
129.07018	0.8
131.04947	3.9
131.08511	0.7
133.02872	0.7
133.06534	0.9
135.08047	0.8
137.05986	100.0
138.03148	0.6
143.04913	2.7
145.06519	1.6
147.04399	1.3
148.05229	1.4
149.06038	1.2
151.03906	10.1
151.05009	0.9
153.05479	1.0
155.06073	1.2
161.06010	1.4
163.07538	3.5
165.05510	0.7
167.07066	12.6
167.08337	0.5
169.10106	0.6
171.06660	1.0
173.05988	2.3
173.13266	1.3
175.07536	1.2
176.04718	0.8
177.05455	1.2
181.04974	21.2
187.07597	0.7
191.07030	11.9
192.07587	0.6
197.13243	0.7
199.14871	0.6
203.07024	1.8
205.06638	0.6
205.08638	2.0
207.06534	2.3
233.05980	0.6
233.08092	1.2
235.09666	1.4
265.16040	0.6
276.07761	0.7
283.16980	0.8
293.08206	0.6
301.10840	0.5
305.08209	1.0
309.11276	0.5
311.09213	0.6
337.10858	1.4
339.12286	0.8
351.12329	1.4
357.13361	13.6
369.13354	1.2
387.14413	35.5
388.14691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03936	2.2
55.05498	1.6
56.96562	1.9
61.90958	1.2
67.05495	3.4
68.99799	2.0
69.03428	1.8
69.07056	2.7
69.24879	9.9
78.69651	1.4
79.05483	4.9
81.03411	2.3
81.07056	5.3
83.04973	1.6
85.02924	1.5
91.05487	2.9
93.07071	3.6
95.04979	3.5
95.08607	3.0
98.97582	1.9
100.69514	1.3
105.07035	3.9
107.04967	19.2
107.08609	1.7
109.06507	2.9
109.10161	1.9
119.05015	1.6
119.08572	2.2
121.06516	3.7
121.10163	2.6
122.03638	2.2
123.04404	8.0
125.05979	5.6
128.06238	2.1
129.06996	1.7
129.78549	1.6
131.08574	2.0
134.71446	1.5
135.04416	5.4
135.05482	2.5
137.05984	100.0
139.03874	2.5
143.08534	3.8
147.04407	9.0
147.08049	2.0
149.05983	4.9
150.06705	1.7
151.03905	3.0
151.07590	2.4
153.05490	6.0
161.06001	3.2
161.09489	2.1
163.03938	5.7
163.07487	3.4
169.67009	1.3
171.08075	9.7
175.03909	4.3
175.07597	3.7
177.05490	5.3
179.03336	2.0
187.07600	2.9
189.09096	5.1
191.07022	3.3
199.07584	11.0
201.05504	1.7
202.67332	1.6
203.10732	1.8
215.06992	1.8
217.08618	31.2
219.06541	5.8
227.07059	6.0
233.08151	11.7
235.09610	2.5
245.08128	12.3
250.00810	1.7
313.85492	1.6
315.08514	4.1
341.13715	4.4
351.12378	2.7
369.13358	76.9
387.14447	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1287
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03945	0.7
55.01868	0.3
55.05516	0.3
56.96564	0.5
57.03423	0.5
58.84056	0.2
60.04523	0.2
61.02933	0.4
61.99133	0.3
67.05500	0.3
69.03437	1.9
69.07064	0.3
70.06590	1.7
71.04988	0.4
71.56731	0.4
72.08161	2.5
73.02909	0.2
78.03451	0.6
78.04708	1.4
79.05484	1.1
81.03413	1.1
81.07062	0.7
83.04998	0.3
84.04498	0.3
84.08141	0.7
85.02905	3.8
86.09716	3.2
87.04456	0.3
91.03872	0.2
91.05478	1.5
93.07055	1.1
95.01341	1.7
95.04971	1.2
97.02892	1.5
97.06538	0.6
98.97556	0.5
99.04449	0.5
103.05480	0.8
105.04500	0.3
105.07033	1.7
106.02927	1.5
106.04172	1.2
107.04967	1.9
107.08602	0.7
109.02884	0.9
109.06500	0.5
110.07119	0.3
111.05589	0.3
116.07085	0.5
117.07018	0.2
119.01931	0.4
119.04932	0.7
119.08588	0.6
121.06524	1.7
121.10145	0.7
123.04444	4.4
123.08063	0.8
124.03963	2.7
124.05229	1.6
125.06031	0.4
127.03943	1.3
129.10229	0.5
131.04916	0.3
131.08594	0.3
133.06520	1.2
133.10147	0.5
134.03624	0.3
135.11728	0.3
137.05994	1.2
140.07097	0.2
141.01834	0.6
143.08566	0.3
145.04933	0.8
145.10120	0.8
147.04454	0.4
147.11678	0.3
149.06006	1.8
151.03918	0.9
151.07555	1.8
152.04707	1.7
153.10194	0.2
153.13112	0.3
161.06030	1.1
163.11197	4.4
164.07022	0.4
166.06277	0.4
167.07051	100.0
168.07382	0.8
171.11595	0.3
175.10770	0.7
177.04025	0.2
179.07062	0.7
181.08635	1.2
181.12239	1.1
185.16505	1.0
189.12727	1.2
193.08638	4.1
207.06531	0.2
207.13835	3.2
211.09688	4.1
211.11530	0.4
213.15991	1.0
225.12727	0.2
225.14850	1.0
247.12210	0.6
250.07256	0.4
268.08209	1.8
310.07178	0.4
323.11224	0.3
357.56577	0.2
369.19174	1.8
385.21036	0.3
387.12445	0.8
387.16251	2.9
387.20700	0.6
388.16135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.6
55.05516	20.2
56.96562	4.5
57.07074	8.7
59.05003	4.5
67.05501	27.1
69.03413	8.6
69.07075	21.5
70.62000	4.1
71.08635	25.2
71.56056	5.9
79.05485	20.5
81.03435	4.7
81.07058	40.8
83.04987	9.0
91.05505	28.1
93.07059	27.0
95.04961	16.9
95.08631	20.6
96.05807	4.5
97.02885	14.4
97.06524	9.6
97.10139	6.7
99.08086	13.2
105.07045	16.8
107.08584	11.0
109.06501	18.0
109.10165	8.6
111.04427	16.9
111.08089	5.0
117.07054	4.8
119.08614	8.6
121.06509	16.2
121.10133	15.8
123.04429	13.4
123.08100	10.7
124.05295	4.3
131.08546	12.2
133.10130	13.2
135.08047	7.4
135.11601	4.1
137.09570	4.5
138.20137	4.4
145.10136	8.6
147.08136	5.1
149.09538	7.0
151.11200	6.8
159.11746	4.5
161.13174	4.3
165.12744	14.3
167.10661	5.3
181.12241	97.7
193.12279	6.1
274.49869	4.1
275.19763	5.2
289.21689	10.9
293.21118	100.0
305.21170	20.9
351.25348	70.8
367.24979	29.1
385.29541	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	385.176
Annotation	Isomitraphylline N-oxide
Peak:m/z	Relative Intensity
50.95038	1.2
55.01855	2.1
56.96562	2.6
65.99077	1.1
69.03415	3.1
70.06596	7.0
70.59692	1.2
70.86523	2.7
71.04981	1.4
72.08163	2.4
79.05495	1.7
80.05009	2.4
84.04505	1.6
84.08136	1.3
85.02908	4.7
87.04472	31.2
88.02222	11.6
88.11269	2.6
93.05804	4.2
94.06557	3.8
97.02890	3.2
98.97567	2.3
101.02380	1.6
105.06999	1.7
106.06546	13.8
108.08038	1.5
110.07174	2.0
115.05482	1.6
116.98625	1.6
118.06570	2.2
120.08109	2.3
122.23968	1.2
123.04398	1.4
123.40648	1.2
127.05020	2.1
128.98615	2.1
130.06531	52.2
131.07159	1.2
132.01640	1.3
133.06482	3.5
134.02713	15.3
136.06183	21.2
136.07562	2.8
144.08101	1.4
145.04993	1.7
145.06360	1.1
154.06540	3.2
156.08076	3.5
161.06009	5.0
162.09109	2.0
167.07220	3.7
168.08119	4.0
171.09126	1.9
174.09180	2.6
180.08054	6.5
181.08823	1.8
182.09753	1.8
189.03835	1.4
191.07288	5.1
192.07953	1.9
192.92343	1.3
193.08797	3.5
194.09651	10.9
195.09131	2.1
196.11253	3.9
204.08075	4.3
205.08884	4.6
206.09796	20.4
206.11670	2.4
207.09109	10.3
208.09918	4.9
208.11426	3.9
210.99176	1.8
215.08203	1.6
219.09238	1.5
220.09872	3.1
221.08485	1.3
221.10738	33.1
222.11508	15.6
223.12291	37.2
224.12677	2.3
229.00211	4.4
231.06526	2.0
235.12288	4.7
239.11848	3.5
249.10265	8.4
250.07617	2.0
253.13383	2.4
254.10437	8.4
257.12860	6.5
267.11279	24.4
268.12018	3.1
270.09985	1.7
279.11380	1.5
281.12772	1.7
285.12381	6.0
291.14880	22.2
294.13696	4.0
299.13879	10.8
301.11826	7.8
307.14429	4.0
308.15173	1.9
309.15982	60.2
310.16309	1.6
327.13373	1.5
335.13940	5.8
341.18591	5.3
348.17093	1.3
353.14963	92.7
354.15366	3.9
385.17606	100.0
386.18066	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	385.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
65.07294	1.1
65.57159	0.9
66.68289	0.9
67.05505	2.1
69.07068	1.7
69.24267	0.9
70.96409	2.4
71.22787	0.9
79.05500	5.3
81.07070	3.2
87.01681	1.0
89.52201	1.0
91.05483	2.7
93.07093	1.3
95.04970	1.3
95.08599	1.2
96.95467	1.2
98.97604	1.2
105.07031	2.1
107.04944	2.0
107.08562	1.6
107.60379	0.9
109.06484	1.1
109.10162	1.7
111.04464	1.6
115.27740	0.9
119.08631	1.3
121.06535	1.3
123.04484	2.7
123.08055	1.1
131.04874	1.3
135.04424	37.5
137.05949	4.2
139.03864	1.0
147.04417	3.8
149.02335	2.1
149.05972	2.2
149.08365	1.0
150.15096	0.9
159.04419	5.1
161.05968	3.3
163.03918	1.3
164.07092	1.0
167.03328	1.0
167.07042	1.5
167.08420	1.2
168.04198	2.4
169.06369	1.1
170.37711	1.0
171.06488	1.4
175.03931	2.4
177.05635	1.2
179.03360	1.0
181.04941	1.1
181.06352	1.4
183.06540	14.3
187.07500	1.0
191.10701	16.1
193.04988	5.2
195.06531	1.6
198.06775	1.0
199.07634	1.4
208.07249	4.8
211.07616	1.2
215.07080	2.1
215.10744	1.0
215.30142	0.9
225.05379	1.0
226.06189	2.8
227.07004	3.2
237.05595	1.9
241.08540	1.9
243.06487	2.8
243.68742	0.9
250.06284	1.1
251.07104	3.1
253.05031	1.1
254.05867	1.4
255.06511	2.1
265.05179	1.4
266.96692	1.0
267.06592	1.5
269.08197	4.6
271.06003	3.4
275.20126	1.1
279.06592	3.4
281.04507	2.0
283.06226	1.4
286.08261	2.3
287.09042	2.1
296.06757	1.6
297.07532	14.0
299.05591	4.9
301.10638	2.8
314.07877	7.9
329.10214	100.0
330.10535	3.0
385.08997	1.7
385.16443	8.5
385.21722	1.5
385.23239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05178	0.3
56.96505	2.0
59.37408	0.4
70.81180	0.9
71.95226	0.4
82.99807	0.3
98.97584	29.5
99.97874	0.5
101.00875	2.8
110.45309	0.4
116.98625	13.7
119.01933	5.1
134.99677	3.6
135.29608	0.4
137.02902	0.5
140.00102	0.4
158.99921	1.9
175.02985	0.4
177.00955	14.0
178.00977	0.6
182.99840	0.7
190.16765	0.3
201.00928	3.3
203.03610	0.3
204.24216	0.4
216.98747	0.8
217.04077	3.7
219.02003	23.1
220.02008	0.7
225.00822	2.3
234.99786	0.9
236.99603	0.5
240.98727	1.2
242.98524	1.1
243.01987	12.1
246.03230	0.4
258.99808	11.2
259.99915	2.6
260.41364	0.4
260.99722	9.7
261.03052	100.0
262.03143	3.9
263.03320	0.5
264.98776	0.5
277.00818	11.4
278.00974	2.9
279.00613	10.2
282.99939	4.0
284.00134	0.9
284.04633	1.7
284.99838	1.4
301.01053	4.3
302.01273	0.7
303.00888	1.7
319.98621	0.5
325.01108	0.7
343.02051	2.0
367.02020	2.5
385.03256	21.2
385.95313	0.4
386.03354	0.9
403.04675	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84200	0.3
51.27637	0.2
51.76448	0.2
55.01862	0.4
59.04997	0.6
67.05533	0.3
68.05019	0.7
69.72675	1.5
69.96158	0.3
72.04514	0.7
79.05488	0.4
81.07054	0.4
82.02935	0.4
84.04498	0.4
87.04455	0.3
91.05479	2.2
103.05467	0.6
105.07017	0.6
107.04955	2.3
108.05728	1.5
109.06496	0.3
115.05454	8.8
115.74225	0.3
117.07018	0.8
117.09114	0.4
119.04956	0.4
119.08598	0.3
121.06490	1.0
124.05199	0.6
129.06995	0.7
130.04140	1.4
130.06532	0.3
131.04941	1.9
131.90012	0.3
134.06039	0.3
135.04398	1.4
135.06766	0.4
136.05228	1.5
137.05980	5.4
143.04922	28.9
144.05574	0.6
144.08060	0.4
145.06487	0.7
146.06010	0.7
146.07141	0.2
147.04375	1.8
147.06311	0.4
147.08101	0.3
147.28011	0.3
149.05963	0.3
150.06750	1.9
151.07544	49.1
152.07898	0.4
158.07257	1.0
159.04430	0.4
160.05200	3.9
161.05940	0.8
162.05493	6.6
162.06775	5.8
162.09053	0.4
163.06276	4.2
163.07561	2.0
165.05554	0.4
165.09117	4.3
172.07578	3.6
173.06042	0.3
174.05486	1.4
174.06694	1.4
175.07549	19.4
176.07066	4.0
177.07846	10.9
177.09059	0.5
178.08640	16.3
187.07513	0.4
188.07089	0.5
189.07739	1.1
189.09125	2.9
190.08650	1.9
191.08653	0.3
193.08545	0.3
195.08014	0.5
197.08380	0.5
200.07088	2.5
201.07793	0.4
202.08640	0.6
204.10197	8.0
207.08078	0.7
214.08688	1.4
215.09389	0.8
216.10182	5.3
217.07343	0.8
218.08127	14.5
221.09569	0.7
222.10304	1.4
223.07539	0.7
232.09685	21.8
233.10460	24.5
234.10783	0.5
235.07674	0.4
237.09055	0.5
238.09906	0.6
239.10716	0.4
241.08449	0.3
249.09047	1.0
250.09869	0.8
251.10622	0.5
253.08597	0.4
253.12195	1.6
265.08594	0.3
266.09384	0.4
267.10172	1.6
280.10757	0.7
281.11731	2.2
282.12445	1.2
283.09708	0.8
298.12000	0.6
299.12689	0.4
308.12662	0.4
311.12820	0.8
313.14365	4.4
315.15662	0.3
324.12750	0.3
329.13770	0.6
338.13782	0.3
340.15405	5.0
366.17010	3.7
384.18045	100.0
385.18347	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	384.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45953	1.3
53.03953	6.4
55.01873	7.9
57.03426	5.9
57.18155	1.2
58.02964	8.2
61.02916	5.2
68.99780	2.8
69.03428	36.3
69.51947	2.7
69.52352	4.7
71.04986	3.3
73.02895	5.8
81.02975	2.2
81.03421	22.5
83.69016	1.4
85.02907	100.0
87.00831	39.0
91.03944	2.0
91.05477	13.5
97.02898	25.2
99.04456	13.2
105.01190	2.1
105.01869	36.8
109.02878	26.6
117.01855	1.8
118.06554	3.6
119.07342	15.1
120.08072	2.2
127.03918	73.2
129.01851	4.0
136.07585	99.0
142.09718	1.5
145.04964	25.8
147.02847	2.5
148.11974	1.2
159.02901	16.7
171.02835	1.4
177.03897	1.5
189.03929	3.5
213.03897	2.5
231.05003	14.6
287.58026	1.4
401.08792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1809
Annotation	Dehydrothalicsimidine
Peak:m/z	Relative Intensity
55.01859	0.2
55.05511	0.2
56.05021	0.6
56.91212	0.2
57.03434	0.2
58.06589	0.3
59.04992	0.4
63.19350	0.2
65.16396	0.2
68.05017	0.8
69.03437	0.3
70.06584	0.7
80.05006	0.7
81.03397	0.4
81.07071	0.2
82.06577	0.8
84.04513	0.7
84.62352	0.2
95.08571	0.2
97.06526	0.5
98.06049	0.5
98.20660	0.3
98.97536	0.2
127.03836	0.2
137.05969	1.0
142.95621	0.2
148.40041	0.2
165.07014	0.7
178.07684	0.4
179.08551	0.6
181.06514	0.9
181.10214	0.2
183.08046	0.4
184.07318	0.5
191.08577	0.7
192.09396	0.2
193.06494	0.2
195.08076	1.4
197.05898	0.3
199.81049	0.2
205.06450	0.4
206.07301	0.7
207.08089	1.3
208.08774	0.5
209.05954	0.7
209.09566	1.0
210.06726	0.3
210.10443	0.5
211.07532	3.4
212.08260	0.4
213.09216	0.2
217.06548	0.2
218.07230	0.3
219.08145	1.3
220.08827	1.1
221.06076	0.4
221.09703	1.1
222.06702	0.5
222.10400	1.9
223.07526	2.2
223.11145	0.2
224.08321	0.7
225.09096	1.4
226.06277	0.3
227.07040	0.8
227.10623	0.3
228.07806	0.3
234.06783	0.7
235.07564	3.8
236.08311	0.8
237.05528	0.2
237.09111	3.1
238.06152	0.3
238.09900	1.9
238.59245	0.2
239.07025	2.0
239.10670	2.0
240.07866	1.4
241.04996	0.4
241.08661	2.0
242.09270	0.6
243.10025	0.3
247.07515	0.3
248.08369	0.7
249.09151	1.9
250.09911	5.5
251.06952	1.7
251.10674	2.5
252.07829	0.8
252.11337	0.2
253.08653	1.6
253.12338	1.1
254.09444	1.1
255.06606	0.6
255.10168	2.7
256.07315	1.5
256.10904	0.4
257.08020	0.5
263.07138	0.3
263.10516	0.2
264.07794	0.3
265.08670	1.8
266.09378	1.8
267.10168	7.3
268.07480	0.2
268.10855	1.1
269.08075	1.9
269.11694	0.8
270.08850	2.1
271.09659	6.0
272.10355	0.9
274.11542	0.2
279.10153	2.4
280.10901	3.5
281.08185	1.4
281.11691	9.7
282.09262	0.3
282.12509	9.4
283.09686	2.8
283.12708	0.3
284.10437	3.0
285.11130	1.4
286.12021	3.3
296.10373	3.0
297.11301	1.1
298.12012	4.1
299.12811	0.9
310.10538	0.2
311.12732	1.2
313.14337	2.4
324.12500	0.2
328.68686	0.2
334.14233	0.4
340.15472	0.9
341.16129	0.4
350.13895	0.2
356.18555	5.8
366.16928	0.7
384.18045	100.0
385.18445	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	384.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37399	0.3
53.03949	0.4
55.01872	0.5
57.03455	0.5
58.02966	8.7
66.28458	0.3
66.90137	0.3
69.03432	7.0
70.86432	0.7
71.04991	0.7
79.05484	1.0
81.03419	3.5
83.01334	0.5
85.02913	7.0
87.00842	4.4
87.04487	0.4
91.05486	7.6
97.02899	11.7
99.04468	3.5
105.01862	1.9
109.02867	1.4
117.05855	0.4
118.06557	5.6
119.07335	18.8
127.02960	0.5
127.03918	9.4
127.04809	0.6
136.07587	100.0
137.07941	1.0
145.04959	4.5
145.31741	0.3
195.51242	0.3
231.04997	2.8
307.35144	0.3
384.22598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2584
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.61628	2.3
53.03939	4.2
55.05513	21.0
57.03410	3.1
57.07066	7.3
59.04992	7.2
65.03941	5.9
67.05509	37.9
69.03439	15.5
69.07056	10.0
71.04996	5.0
71.08656	2.8
79.05492	30.8
81.03388	2.6
81.07061	38.7
83.04977	10.0
83.08615	6.9
85.02940	2.4
85.06538	6.7
91.05486	45.5
93.06467	5.0
93.07051	86.4
95.04967	27.9
95.08063	2.9
95.08614	36.0
96.25529	2.2
97.06525	17.8
99.08136	2.1
103.05470	3.7
105.07033	84.0
107.04973	2.9
107.08600	47.9
109.06519	22.7
109.10168	23.6
111.04395	2.6
111.08081	7.1
113.09613	3.5
115.05430	4.0
117.07034	12.1
119.08588	63.6
120.09341	4.1
121.06509	14.0
121.10144	48.8
122.07316	2.5
123.08082	23.2
123.11756	3.3
125.09607	3.2
128.06232	8.6
129.07024	15.4
129.39790	2.6
130.07813	5.8
131.08583	36.3
133.06485	10.2
133.10143	36.4
135.08095	21.6
135.11708	4.9
137.05901	3.4
137.09642	8.5
139.11186	3.6
141.06995	2.9
142.07770	18.1
143.08565	29.3
144.09326	9.7
145.10124	47.8
146.07268	2.8
147.08040	21.6
147.11708	17.0
149.09621	26.3
151.07536	39.1
153.09085	5.0
155.08548	10.0
155.10701	4.7
156.09348	10.6
157.10121	38.0
159.08041	8.6
159.11705	15.8
160.08809	6.6
161.09616	20.2
161.13260	8.3
163.11209	7.9
165.09109	29.8
166.07755	2.4
167.07095	3.0
167.08566	5.0
167.10728	2.7
168.09352	3.8
169.10121	4.5
170.10909	6.4
171.08200	2.7
171.11685	11.0
173.09700	12.2
173.13272	8.9
175.11195	18.5
175.14848	4.5
177.09109	15.2
179.08511	3.3
181.10295	3.6
181.12167	2.7
182.10948	3.6
183.11678	10.1
185.09630	4.4
185.13301	13.8
185.14676	2.3
187.11180	6.7
187.14867	5.6
189.08978	2.5
189.12743	9.8
191.14334	4.4
195.11748	8.5
197.09705	4.9
197.13284	8.9
199.11198	5.5
199.14830	6.0
201.12709	9.1
203.14346	26.7
207.11998	4.6
207.13680	14.0
208.12442	3.7
209.13345	4.8
209.15273	4.8
211.14815	3.8
213.12715	5.4
215.14290	13.3
219.13918	8.3
221.13440	3.3
221.15378	70.3
225.16478	2.9
227.14359	9.9
229.24863	2.6
231.13913	5.8
233.15494	5.7
234.16132	14.3
237.14815	3.9
237.39415	3.0
243.13803	2.9
243.17281	2.4
253.15764	2.5
265.19675	2.8
281.19418	2.6
286.19299	5.5
287.20038	10.7
291.17493	2.7
299.20108	4.4
303.19446	7.6
309.18500	3.0
347.23901	4.2
365.24704	16.4
383.25800	100.0
384.26123	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	383.2431
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
50.56424	1.6
53.03936	3.3
55.01873	6.9
55.05304	1.9
55.05516	21.8
57.03428	7.8
57.07091	1.9
59.05006	2.3
63.71393	1.6
65.03924	1.7
66.12666	1.6
67.05179	3.4
67.05511	47.7
69.03423	7.1
69.07071	20.6
71.04986	2.0
71.57015	2.5
72.08139	2.8
79.05503	28.9
81.03419	5.2
81.07062	33.4
83.04976	6.9
83.08625	13.2
85.02908	1.8
85.06551	3.0
86.09672	1.9
90.48324	1.9
91.05487	25.9
93.07058	27.1
95.04976	10.4
95.08614	13.5
97.02896	7.2
97.06526	4.4
97.10200	10.6
105.07043	21.7
107.04959	9.1
107.08586	24.2
109.02802	2.0
109.06529	5.2
109.10165	26.9
111.04464	2.0
111.08078	2.9
117.07024	7.0
119.04899	2.3
119.08585	17.2
121.06504	4.0
121.10144	8.7
123.08079	6.7
123.11737	3.2
125.09658	10.0
129.07022	6.2
131.08588	15.7
133.06499	7.5
133.10139	20.8
135.08078	8.5
135.11691	4.0
137.09619	2.9
139.07468	2.1
143.08586	4.9
145.10112	10.9
147.08054	7.5
147.11688	3.8
149.09613	7.2
151.07433	1.9
151.11168	12.0
156.39705	1.8
157.10172	4.3
159.08076	4.1
159.11664	2.2
161.09639	5.3
161.13235	2.5
163.11119	3.2
165.09103	2.6
169.12189	2.6
171.11653	2.6
173.11803	3.0
175.11226	2.8
177.09091	3.0
189.11224	7.0
189.12819	2.3
193.12221	3.2
211.13301	3.4
213.16637	2.0
223.13347	13.5
227.12750	3.2
245.19040	6.2
249.14940	2.1
253.14427	5.4
255.17436	2.7
263.20047	4.3
269.13809	4.0
271.15524	3.9
273.18475	21.3
291.19565	100.0
299.05627	2.2
309.21011	1.8
328.77640	1.8
347.22281	3.3
365.23260	63.7
383.24628	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79446	4.1
53.03956	4.2
55.05511	22.7
57.03436	8.9
67.05508	100.0
69.03407	8.7
69.07056	18.1
70.72139	9.2
70.72509	10.1
71.04988	8.3
73.02927	5.0
79.05503	34.4
81.03423	7.9
81.07056	51.8
83.04988	6.1
83.08643	10.8
85.02885	10.7
85.06573	9.9
91.05489	40.6
93.07053	41.8
95.04935	12.0
95.08614	28.5
97.06564	8.6
97.10144	4.7
105.07027	43.3
107.04966	14.4
107.08612	35.6
109.06461	4.9
109.10155	65.6
111.08051	5.0
115.05350	5.4
116.24437	5.4
117.06975	8.1
119.08595	27.3
121.06524	12.9
121.10138	12.9
123.08065	8.6
128.06203	4.2
131.08559	10.9
133.06549	9.6
133.10155	41.1
135.08075	8.2
135.11693	15.4
137.05989	7.5
139.13194	4.3
142.07745	4.8
143.08562	8.9
145.10136	13.6
147.08037	8.1
147.11647	7.5
149.09631	10.0
151.11160	11.7
157.10184	4.8
159.08096	6.3
159.11728	5.3
161.09637	10.2
161.13211	5.5
163.11224	4.8
163.14833	5.0
171.11630	7.0
173.11752	15.4
175.11226	7.5
177.09160	7.0
189.16379	42.6
207.17413	8.8
245.19057	8.9
253.14375	16.3
255.17532	4.8
263.19980	10.5
269.13953	6.8
271.15384	17.4
273.18597	25.8
291.19550	34.6
299.05518	12.7
349.15488	5.2
365.23209	37.5
372.10806	4.9
383.19754	7.3
383.24292	33.7
395.92899	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	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.3
55.05510	18.4
56.96559	5.5
56.97466	3.2
57.03436	40.9
65.03926	3.8
67.05504	78.0
69.03415	7.0
69.07055	14.7
70.43717	3.3
71.04993	5.7
71.56683	5.2
79.05502	29.3
81.03395	5.3
81.07053	33.6
83.04971	6.0
83.08595	13.4
85.02898	4.7
85.06546	31.8
86.09698	4.5
91.04977	4.1
91.05490	36.2
92.18871	3.3
93.07043	30.8
95.04974	68.3
95.08601	21.6
95.90961	3.5
97.06524	18.7
98.97569	6.7
105.07032	21.8
107.04929	14.7
107.08606	25.9
109.06529	73.0
109.10132	18.4
111.08112	4.1
113.05238	5.1
113.06010	100.0
117.07007	11.4
119.08579	17.2
121.06469	7.6
121.10153	9.2
123.04405	4.1
123.08060	3.8
128.06184	4.2
129.06989	5.3
131.04970	4.4
131.08594	16.8
133.10110	11.6
135.08047	49.4
135.11708	9.1
135.35551	3.9
137.06084	3.7
143.08556	6.8
145.10100	8.0
147.08028	5.5
149.09595	8.5
149.13251	4.4
151.11214	4.2
155.08524	4.6
157.10170	9.9
159.08083	5.2
159.11690	9.4
161.09639	8.2
163.11139	4.3
171.11745	3.4
173.11754	7.3
173.13170	4.1
177.12805	4.0
183.11781	3.9
184.12384	3.3
195.11699	4.5
196.03999	3.8
199.11195	4.7
199.14914	4.8
217.15872	16.8
230.64973	3.8
245.19012	8.8
260.16425	5.4
273.18524	46.0
291.19547	85.3
299.05569	9.8
347.22263	4.8
365.23251	21.9
383.24121	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.8
55.01886	18.4
55.05274	3.3
55.05514	51.7
56.96546	7.2
57.03195	2.4
57.03441	30.7
57.07064	3.1
59.04994	4.3
65.03937	5.7
66.89365	2.2
67.05180	3.7
67.05511	64.9
69.03419	11.9
69.07068	38.7
69.27766	23.8
69.82434	2.8
71.01357	2.9
71.04987	11.7
71.08620	2.5
72.08151	4.5
73.02914	2.6
75.14159	2.4
79.05495	55.1
81.02975	4.5
81.03419	51.1
81.07059	100.0
83.04976	23.9
83.08631	34.6
84.04529	2.6
85.02908	32.8
85.06513	5.1
89.06039	4.6
91.04971	3.9
91.05482	46.2
93.07055	45.7
95.04967	34.9
95.08612	32.3
97.02914	5.3
97.06532	13.1
97.10172	35.5
98.97573	5.6
99.04449	4.3
99.08067	6.0
105.07038	37.3
107.04932	10.6
107.08596	29.4
109.02834	3.0
109.06537	17.9
109.10156	18.0
111.04444	12.6
111.08073	11.4
113.05984	5.3
115.05417	3.8
117.07026	13.2
119.04920	4.8
119.08587	26.5
121.06522	7.3
121.10133	18.7
123.08083	33.2
123.11710	5.6
125.09634	34.2
129.06972	7.8
131.08553	13.9
133.06461	4.1
133.10117	11.0
135.08058	8.9
135.11693	6.4
137.06006	6.0
137.09627	8.8
143.08591	3.9
145.10106	10.8
147.04402	4.3
147.08037	7.3
147.11699	14.2
149.09599	9.7
149.13205	3.5
151.07539	5.0
153.09102	3.7
153.12790	4.7
157.10123	10.7
158.99773	2.9
159.08086	3.1
159.11644	6.7
162.06708	4.0
163.03792	3.6
163.11136	12.5
165.09079	5.1
165.12801	4.0
166.98618	2.5
171.10187	4.7
175.11221	16.8
177.00674	3.0
177.12653	3.2
178.08594	5.0
181.12221	6.5
184.07281	4.7
188.07053	3.2
189.11223	34.7
190.06250	5.5
191.03430	4.2
191.10657	2.9
193.08617	6.3
193.12254	42.3
195.13815	2.9
206.05792	3.7
211.13287	46.7
214.82845	2.7
221.08083	26.8
221.15434	4.0
221.29279	2.9
223.13376	15.5
227.12820	4.5
255.17424	3.3
267.15756	3.3
273.18549	27.7
277.22586	2.6
278.71664	2.7
285.16937	11.9
286.10574	2.5
291.16501	4.6
291.19553	62.5
299.05466	11.7
354.27072	2.8
365.12271	3.7
365.23276	15.3
383.24146	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54944	0.4
56.18571	0.4
56.96566	6.1
57.22854	0.5
57.69173	0.4
71.55429	0.7
71.95259	1.7
76.61822	0.4
82.35924	0.4
91.24906	0.4
91.93050	0.4
97.02877	3.2
98.97589	100.0
99.84431	0.5
116.98631	43.0
119.01957	0.5
134.99670	11.3
140.00226	1.2
153.00800	1.4
158.01375	0.5
177.00989	0.9
189.00383	0.6
207.01405	1.1
216.98917	2.2
219.02057	1.0
234.99812	2.0
235.99916	0.8
240.98653	5.6
241.00746	0.6
242.98872	0.5
256.96747	0.5
257.96954	0.8
258.99796	73.1
260.00082	1.7
260.99896	2.0
261.03079	2.4
262.03265	0.6
263.02734	0.5
274.97650	0.8
277.00842	74.7
278.01068	1.8
279.01035	0.9
282.01404	1.5
283.00092	3.7
284.00018	0.7
284.99823	8.2
285.99927	0.5
298.97763	0.7
299.97992	1.6
300.02408	1.7
301.01089	3.0
302.01294	0.5
303.00909	7.8
316.98996	1.1
317.99026	2.5
322.94446	0.6
340.95410	0.7
341.99130	1.0
346.94186	0.5
359.00693	0.8
360.00049	3.0
362.04541	0.5
364.95096	0.6
378.17819	0.9
382.95721	3.1
383.00110	2.9
400.97388	6.7
401.01111	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	383.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01863	1.7
55.05523	2.4
55.74076	1.0
56.03775	1.0
57.03439	2.2
62.88375	0.9
65.03937	1.2
67.05510	5.6
68.68730	0.9
69.03409	1.2
69.07069	4.1
69.85560	4.9
71.05012	1.3
72.08150	1.4
73.81574	1.3
79.05489	6.7
81.03422	2.3
81.07056	6.5
83.08604	1.4
84.08131	1.0
91.05476	8.8
91.89072	0.9
93.07048	4.2
94.04179	5.4
95.04974	1.5
95.08601	4.4
96.91976	1.0
97.06534	2.9
97.10125	1.0
98.97590	2.4
99.08082	1.3
105.07037	11.6
107.04944	2.1
107.08599	2.8
109.06513	5.2
109.10167	2.1
111.46423	1.0
115.05470	3.5
115.07566	1.7
117.06998	1.3
119.08590	2.7
121.06573	1.1
121.10133	1.4
122.03665	10.0
128.06229	3.5
131.04915	1.8
131.08585	2.1
133.06516	5.3
133.10175	1.9
137.05986	100.0
141.07024	1.4
143.08543	1.5
145.06502	1.3
146.03636	2.7
149.06044	2.1
151.07509	1.2
156.05713	2.1
161.05992	35.3
169.06453	1.3
171.08061	2.4
172.96228	1.5
175.07516	1.9
184.05211	4.1
187.07579	1.1
191.08589	3.0
192.09340	1.5
199.07561	23.5
202.07784	12.6
203.08565	21.3
203.10397	1.4
207.08116	1.4
215.08664	1.4
219.08014	5.9
220.08852	6.3
221.08186	2.8
230.07271	2.0
231.08060	27.7
232.08768	5.1
233.09621	1.4
235.11325	1.8
237.09151	1.1
247.07552	4.4
248.08353	17.5
249.09067	2.7
258.06879	1.5
259.07562	22.7
260.08334	10.2
261.09171	2.0
262.09839	1.2
263.10733	11.1
265.08600	1.4
273.18582	1.7
275.07025	2.6
276.07806	11.0
277.08624	4.7
291.10162	73.3
292.10852	8.3
293.08215	1.9
295.13458	2.3
299.05579	1.8
308.10568	1.8
315.16696	0.9
323.12781	21.9
334.08878	1.1
365.23395	2.1
383.11304	1.3
383.16153	1.6
383.24463	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	382.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
56.05030	2.6
57.03449	1.6
58.06593	1.5
65.27532	0.7
65.84001	0.9
67.05492	3.9
68.05022	1.3
69.03416	1.1
69.07066	2.4
69.46889	4.5
70.06602	4.8
71.04983	1.0
72.08133	2.0
77.03931	1.0
79.05493	2.6
81.07063	4.8
82.06588	1.8
84.04514	8.2
84.08149	1.6
85.02909	2.1
85.06551	0.9
86.09706	1.6
91.05493	3.6
93.07045	3.5
94.06535	1.1
95.04954	1.0
95.08591	4.7
96.04521	1.0
96.08131	2.1
97.02882	1.1
97.06537	1.6
98.97573	1.6
103.05474	3.6
105.07039	2.6
107.08601	1.7
109.50749	0.8
110.07184	1.6
116.04961	1.0
117.05753	2.0
117.07027	1.9
118.06544	0.9
119.04933	1.8
120.08138	1.7
121.06565	1.5
121.10149	1.9
123.04430	4.7
129.06975	2.5
131.04918	7.4
133.06508	1.1
134.06027	24.5
135.04413	1.1
135.11755	1.4
137.05989	11.0
142.42154	0.8
143.08606	1.4
145.06503	3.8
147.04431	7.6
147.08081	1.3
149.05988	20.6
149.09564	1.2
151.07549	1.7
152.14386	5.3
157.06497	2.6
159.08047	2.0
161.05983	8.9
162.12735	1.1
163.03999	1.3
163.07533	4.9
164.04189	1.0
164.07071	3.7
166.08597	1.4
171.08038	1.5
173.06017	8.2
175.07573	10.3
177.07794	1.5
177.09157	1.3
180.13834	18.9
181.06517	1.0
187.07616	2.2
188.44897	1.0
189.09074	3.7
198.14911	37.8
199.07538	3.2
206.11874	1.6
213.09175	1.9
214.08582	1.4
229.10901	5.5
241.12154	1.4
255.13838	2.4
258.14957	7.7
267.97226	1.0
273.14163	4.0
290.17453	2.7
291.14865	1.1
302.17499	27.2
320.18591	53.2
321.73077	1.0
346.20212	7.4
364.21194	19.0
365.19562	1.4
382.22287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44925	1.1
55.01867	1.4
55.05516	3.3
56.05032	3.1
58.06602	2.7
65.03951	1.3
67.05504	5.7
68.05025	3.4
69.03432	2.6
69.07068	2.7
69.72454	6.9
70.02946	2.1
70.06596	16.3
72.08160	3.0
75.13626	1.3
79.05489	7.6
81.07055	5.5
82.06580	3.6
83.08644	1.1
84.04515	15.8
84.08139	3.9
85.02906	3.3
86.09702	2.6
91.05486	8.1
93.07046	5.9
93.39249	1.4
95.04930	1.9
95.08623	6.3
96.04508	3.5
96.08122	4.8
97.02901	1.4
97.06538	1.7
98.97578	2.2
103.05499	2.4
105.07024	2.9
106.06561	1.9
107.08609	3.2
109.10174	2.9
110.07153	1.6
116.04991	1.7
116.98654	1.3
117.05759	3.8
117.07033	2.5
118.06554	1.8
120.08100	2.7
121.10128	2.9
123.04436	9.1
125.18027	1.2
129.06966	1.2
131.04893	7.2
131.08611	2.3
133.06493	1.5
134.06027	47.9
135.04417	1.6
135.11707	3.0
137.05986	15.0
145.06516	4.5
147.04411	5.8
149.05997	18.0
149.09628	3.6
151.07542	1.9
152.14346	10.3
157.06447	2.3
159.08127	1.2
161.05972	6.0
162.12816	2.2
163.07555	5.9
164.07076	6.7
171.08131	1.7
173.06013	6.4
175.07529	10.0
176.07188	1.8
177.07875	3.0
178.95341	1.3
180.13844	40.3
184.13368	1.3
187.07643	2.0
189.09221	3.7
198.14906	73.3
199.07552	2.9
204.53694	1.2
206.11850	3.4
213.09230	1.5
228.10115	1.3
229.10934	9.1
230.11710	1.3
241.12158	2.0
255.13776	1.9
258.14932	15.6
273.13303	6.3
290.17697	1.2
291.14816	1.9
302.17532	35.4
320.18585	100.0
321.19019	2.1
346.20004	8.4
364.16769	1.6
364.21234	32.4
382.22287	91.4
383.22598	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	382.1709
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01880	0.9
57.03432	1.6
57.07058	2.3
59.04992	1.7
61.02919	1.3
67.05486	1.4
69.03421	2.6
69.07056	2.4
70.02956	3.0
70.06557	0.9
71.54665	0.8
72.04213	0.7
72.04523	8.4
72.08157	1.3
73.02894	1.8
74.02434	1.3
81.03428	1.1
83.04975	0.9
84.04512	2.5
84.08166	1.0
85.02911	4.7
85.06544	5.0
86.09731	1.2
87.08106	1.4
90.05562	54.0
90.40622	0.7
91.05428	0.7
95.04951	2.8
96.08159	1.0
97.02885	2.3
97.98666	0.7
98.02426	8.7
98.54507	0.7
98.97609	1.1
100.03935	1.0
103.07591	4.0
105.07044	1.0
113.06023	0.8
116.03463	7.1
116.98697	0.9
120.08115	2.7
121.06493	5.0
122.09671	0.8
124.07592	8.1
126.26456	0.7
127.03921	1.2
127.05029	0.8
128.11833	1.1
130.05019	1.1
136.07602	0.7
142.08624	4.8
147.04442	1.2
151.06538	0.8
156.10304	0.8
160.09625	1.1
166.08667	1.7
174.11247	1.3
184.09697	10.7
191.04921	1.3
202.10771	18.5
207.11198	1.2
220.11818	100.0
221.12714	1.2
226.98752	0.9
235.10793	0.9
244.99588	0.8
344.41281	0.7
382.14954	2.6
383.09619	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	382.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26314	0.3
52.62632	0.4
52.73134	0.3
55.01798	0.3
55.05468	0.6
67.05449	0.4
69.20350	2.1
69.20778	1.7
74.92994	0.4
75.21938	0.4
79.05433	0.7
95.08520	0.5
105.06935	0.5
107.86014	0.4
119.04892	0.6
123.04397	0.8
129.06932	0.6
131.04872	1.2
137.05913	1.0
137.43668	0.4
145.06514	0.4
148.05092	0.5
149.05907	1.4
157.06371	0.7
160.07515	0.4
161.05946	1.5
162.05524	1.8
164.07080	9.0
173.05902	1.7
175.07454	1.1
176.06958	1.6
177.07870	22.0
178.08527	1.3
187.07611	0.6
190.08563	1.5
199.07333	0.4
250.19467	0.4
274.18024	5.7
299.05600	1.1
302.17535	10.8
302.20935	0.7
320.18588	100.0
321.18921	1.5
326.54443	0.4
346.20200	0.8
364.21222	29.7
382.22321	20.1
383.22852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33637	2.9
52.97835	3.2
58.88216	3.7
59.10688	3.7
70.68214	11.6
94.93050	5.0
112.89607	19.6
114.89322	5.9
117.44979	3.3
143.67853	4.0
208.97212	8.2
288.47913	3.6
381.07944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
56.05036	1.5
56.15615	1.2
56.46465	1.3
56.96574	3.7
61.02926	3.4
67.05494	4.7
69.03416	1.5
69.07069	2.7
71.57178	2.0
73.02908	2.4
79.05499	13.3
81.03463	1.6
81.07067	7.5
85.02892	3.0
91.03962	1.8
91.05485	9.5
93.07036	12.3
95.04945	1.6
95.08607	8.6
97.02904	2.9
98.97582	1.5
99.08127	1.4
105.07030	14.1
107.08611	13.6
109.10121	1.9
117.07013	3.1
118.06522	1.7
119.07800	1.9
119.08595	22.4
120.04472	3.9
121.10146	7.4
121.37734	1.6
130.06512	8.8
131.08569	2.5
133.10141	23.7
135.11656	2.7
137.06010	1.6
144.08084	3.7
147.11702	2.0
149.24936	1.5
154.06505	7.5
157.07605	5.1
158.06091	1.5
158.08366	4.7
159.09212	3.1
159.11674	2.6
161.13246	13.2
163.14803	8.1
169.07626	39.6
170.08345	2.4
171.09190	11.6
177.12691	2.0
180.08121	1.5
182.08376	4.1
185.07071	1.6
195.09186	6.0
197.07159	1.7
204.08244	1.7
213.06575	2.2
218.09590	2.4
221.10693	3.5
230.09627	13.6
245.10649	2.5
247.12285	25.1
248.14531	1.8
258.12790	7.0
261.13913	1.8
267.09045	1.7
272.14401	5.3
275.15417	19.3
276.16272	5.6
285.10300	1.8
287.15488	1.6
289.17044	11.1
290.17859	5.8
291.11316	4.1
305.61386	1.7
317.17914	3.9
319.21710	100.0
320.21912	1.7
345.19461	4.2
363.20718	37.9
381.21530	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	380.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61258	0.5
56.96568	1.0
58.06602	0.8
69.03427	1.2
69.20889	0.4
69.48093	3.1
70.06590	1.0
71.08635	17.5
72.08163	0.5
74.06087	1.1
84.04524	0.7
84.08143	1.0
85.02918	1.6
88.11275	100.0
89.11585	0.5
97.02941	0.7
98.97588	1.0
102.05560	0.5
116.98631	0.8
119.04935	0.5
130.06613	0.7
131.06979	0.7
137.05988	2.1
154.08656	0.8
167.08592	0.5
168.08139	0.6
182.09637	0.5
184.11302	0.7
198.09514	0.6
210.09178	0.8
212.10745	0.6
218.08089	0.8
234.15393	0.8
237.02853	0.6
272.12790	0.6
284.09402	0.7
304.15393	0.6
316.11700	0.8
348.14462	0.7
380.17059	4.7
380.21457	0.9
381.07816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65520	0.6
53.03940	1.9
53.74462	0.6
55.01860	1.0
55.05503	2.5
56.96573	1.4
57.01345	0.6
57.03425	1.1
59.04993	0.8
65.03918	1.2
67.05507	22.5
69.03432	2.6
69.07065	2.8
70.06564	1.1
71.04604	0.9
71.04998	15.2
79.05495	4.6
80.92950	0.7
81.03415	2.4
81.07065	26.0
82.07381	0.7
83.04980	1.8
83.08613	1.4
83.83530	0.7
84.04517	1.1
85.02908	2.6
85.06545	7.1
88.07639	1.1
91.05486	18.0
93.07037	4.1
94.06584	6.5
95.08621	3.0
97.02911	0.7
97.06547	3.8
98.20743	2.4
98.97593	0.9
99.04417	0.8
103.05487	0.7
105.07040	8.2
107.08600	7.2
109.02896	5.8
109.06540	1.5
109.10155	10.3
110.03235	0.9
110.47656	0.7
111.04468	0.7
112.00819	0.7
113.05996	0.7
115.05451	1.3
117.07023	6.4
119.04941	1.5
119.08569	1.0
120.09042	0.7
121.06517	0.7
121.10159	1.1
122.06041	19.2
122.06907	1.4
123.04437	0.9
123.08055	0.6
123.11713	6.6
124.07637	1.6
125.09602	0.8
125.25620	0.6
127.03935	4.5
129.07042	0.9
131.04929	1.3
131.08574	2.4
133.06522	0.7
133.10132	17.1
135.08005	0.7
135.11696	1.0
137.05986	5.9
142.08694	1.3
145.06496	10.8
146.06030	1.6
147.04327	1.3
147.11649	0.7
148.54866	0.7
149.05986	1.5
151.11192	9.6
157.06461	1.0
159.08076	1.8
161.05986	4.0
163.07567	10.5
164.07074	55.0
168.13815	1.0
169.12251	2.1
173.06004	1.8
175.07559	4.1
177.07793	1.3
177.09183	1.5
180.10217	9.6
183.13847	2.9
186.14951	1.2
187.07558	0.8
187.13297	10.8
189.09096	1.0
193.22752	0.7
201.14862	1.0
239.11728	0.7
250.10956	0.8
251.11790	2.0
255.06400	0.9
265.13358	2.5
279.11371	1.1
284.17325	0.7
293.12918	1.1
302.17392	1.4
311.14157	1.5
313.17844	1.8
318.16882	0.9
330.20663	1.1
339.13458	1.4
348.21716	18.6
353.14859	0.9
362.07233	0.7
362.19614	1.5
371.16074	2.0
380.24374	100.0
381.24557	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	380.1707
Annotation	Bruceolline M
Peak:m/z	Relative Intensity
53.11913	0.4
55.01846	0.5
55.93519	0.7
56.05040	0.5
56.96563	0.7
57.03438	0.4
58.06590	1.3
60.04514	1.6
68.05036	0.4
69.03419	1.0
69.07044	0.5
70.06590	3.2
70.13969	0.8
70.14355	1.3
71.04996	0.5
72.08149	1.7
79.05490	0.7
81.03438	0.4
81.07056	0.8
84.04485	1.4
84.08117	2.4
85.02921	2.1
86.06065	0.6
86.09696	1.7
87.04453	0.5
88.03982	0.4
91.05471	1.5
92.47630	0.4
93.53117	0.4
94.06590	0.4
95.08588	0.7
97.02876	0.7
98.97575	1.0
99.67367	0.5
107.04974	0.5
110.07140	0.5
119.04934	1.8
120.08049	0.5
121.02915	0.7
121.06492	0.7
123.04429	0.4
123.26589	0.4
127.03899	0.5
128.98640	0.4
129.10226	1.1
133.06552	0.5
137.05949	1.1
147.04422	5.2
150.05545	0.6
151.07545	0.7
159.07996	0.7
165.05621	0.5
165.06956	0.9
165.09093	0.6
167.08501	0.5
177.09155	0.7
178.07730	0.5
179.08582	1.4
181.06451	2.7
182.07288	0.8
187.07535	0.5
188.06999	0.6
189.09122	1.2
190.08612	0.5
192.05702	0.7
193.06476	1.3
194.07259	0.5
195.08069	1.8
196.08888	2.0
197.05966	0.6
197.08255	0.5
198.10547	0.5
199.07605	0.6
201.09192	1.1
206.07979	0.8
208.08844	7.0
209.05959	3.2
209.09538	1.1
210.09145	0.7
211.07579	1.2
212.06845	0.8
213.07747	2.3
215.10680	0.5
218.17471	0.6
218.97354	0.6
221.05792	0.5
223.07547	0.7
223.09787	0.6
224.08336	12.0
225.05655	0.5
225.09142	3.2
226.08458	1.0
227.10855	1.0
228.10156	0.6
234.09206	0.6
235.09959	0.5
237.02872	0.6
238.09839	1.3
239.07104	0.8
239.10716	15.7
240.06367	0.7
240.10408	1.7
241.08591	1.2
241.10870	0.5
242.07980	0.9
242.11830	0.6
243.08980	0.4
244.09708	1.4
246.11281	1.0
250.08672	0.6
253.08566	1.6
254.09328	1.2
254.11795	2.5
255.10191	1.4
258.11258	7.7
258.13766	0.7
259.97769	0.9
260.09198	1.0
261.10214	0.8
262.10855	0.8
264.10275	0.8
266.11719	0.7
267.10269	0.7
268.10663	1.5
269.11411	0.7
270.11432	0.8
272.09360	0.9
272.12787	3.0
274.10864	1.2
276.12259	4.8
278.10251	3.8
282.11697	0.5
284.12900	0.6
287.11505	6.3
288.12305	4.3
289.13013	3.5
312.12143	0.7
318.16882	0.8
323.09052	0.5
332.15439	0.5
352.08963	0.7
362.15817	2.0
362.19733	0.9
363.01535	0.8
363.12640	0.5
380.17044	100.0
381.02487	0.6
381.17410	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1578
Annotation	Abafungin
Peak:m/z	Relative Intensity
53.23196	0.3
69.81718	0.8
69.82107	0.8
70.06579	0.3
74.06067	1.5
84.12489	0.3
84.41698	0.3
85.02898	0.7
86.09725	0.8
97.02919	0.3
98.21553	0.3
98.97592	0.8
116.98610	0.4
134.13510	0.3
168.96684	0.3
187.14351	0.3
217.10503	10.3
233.14977	1.1
234.98976	0.7
319.97552	0.3
375.37006	0.3
379.15771	100.0
380.16095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
56.96567	1.6
57.03416	1.8
60.84275	0.6
67.05497	2.0
69.03427	2.0
69.07064	1.2
70.06588	0.8
71.04982	1.1
71.56431	1.1
74.11877	0.7
79.05482	1.6
81.03398	3.0
81.07056	2.5
83.04970	1.1
84.04515	3.5
85.02892	2.6
86.09695	0.9
91.05473	2.3
93.07037	1.9
95.04951	1.0
95.08620	1.4
97.02884	1.6
97.06526	2.6
98.97575	1.5
105.07030	2.1
107.08601	1.2
108.08151	1.0
109.02878	2.8
114.06778	0.7
117.06992	1.1
119.04968	1.0
119.08563	1.2
121.02927	0.8
121.06498	1.0
121.10117	1.0
122.06028	0.9
123.04412	1.9
127.03886	1.8
130.05008	2.6
131.08604	1.0
135.04427	1.4
136.05234	1.2
137.05997	4.8
140.07097	0.8
146.45410	0.7
147.07684	1.2
149.06018	1.1
153.05556	0.7
155.01880	0.7
161.05910	0.7
163.03954	0.8
164.07062	0.8
165.01888	0.7
177.05505	1.1
184.07310	0.9
185.04248	2.2
187.07564	0.8
189.09138	0.8
191.10686	0.9
201.05272	1.1
201.37531	0.7
208.09668	0.9
215.10750	3.0
216.07568	7.6
217.08359	8.7
217.12076	0.8
219.01509	0.9
221.05048	1.4
233.11690	1.6
245.05132	1.9
254.86172	0.6
269.08136	2.7
271.05896	0.7
278.07251	0.9
282.12128	4.6
283.06079	3.2
296.67917	0.9
323.09146	2.0
325.14377	1.7
361.06924	2.2
362.15607	1.0
379.08243	8.8
379.13638	100.0
379.18362	10.1
380.14288	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07076	0.3
69.25249	2.6
70.06595	0.6
73.75207	0.3
81.07063	0.5
84.04504	0.6
86.09701	0.4
91.05486	4.4
94.06623	0.3
95.05039	0.3
96.90311	0.3
97.06519	0.6
107.05037	0.4
109.02905	0.8
110.07179	0.4
112.31347	0.3
114.37415	0.3
119.01943	0.6
119.04982	0.5
121.02908	1.1
122.06048	0.5
131.04851	0.3
134.19560	0.3
135.04442	0.3
137.06000	0.8
140.07083	0.7
142.08669	1.1
149.06081	0.4
161.02950	0.4
161.04776	0.9
162.05536	0.5
179.98085	0.3
188.03429	4.3
195.02888	0.3
200.89946	0.3
203.03343	0.3
205.04973	0.3
205.12389	0.3
206.04593	1.1
227.05344	1.1
230.11813	0.3
233.04456	0.3
233.11852	0.7
250.14450	0.7
259.15353	0.4
261.04236	0.4
271.04178	1.7
275.08887	0.3
279.06534	0.4
291.32318	0.3
293.10172	3.2
295.06229	1.1
298.39487	0.3
307.05975	1.6
308.06787	1.7
311.09723	1.3
317.10098	0.8
321.07681	1.1
322.08246	1.5
323.09235	0.8
329.11295	3.5
333.07898	0.6
335.11038	25.4
336.06302	0.4
336.11578	0.4
347.12433	1.4
350.12363	0.4
351.08661	4.7
361.14105	0.9
379.10086	100.0
380.10364	1.3
381.08728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.8
57.03418	0.7
61.02910	2.0
64.93101	0.5
65.03939	1.0
67.34467	0.4
69.03419	1.5
70.61632	1.1
73.02918	0.9
79.05455	0.5
85.02914	3.3
91.05481	14.7
95.55315	0.5
97.02879	1.6
98.97601	0.8
101.00877	0.9
107.04949	0.7
109.06508	0.9
110.01262	0.7
119.01966	2.5
119.04954	11.6
123.04415	1.4
124.95352	0.5
127.02401	0.8
127.03952	1.2
128.98616	0.6
131.01900	1.4
133.03465	1.2
137.05981	100.0
142.03249	0.5
143.01924	0.9
145.03424	2.4
154.08640	37.5
157.03461	0.7
161.02965	1.4
163.04443	2.2
173.02924	1.4
175.04588	0.5
191.04050	1.7
201.02502	0.6
213.03461	1.0
215.04137	0.5
217.01955	0.7
257.06320	1.0
259.03009	1.2
261.04578	0.5
266.06830	0.8
268.00156	0.6
272.06433	0.6
294.06021	1.1
319.05063	0.8
347.04428	0.6
378.05228	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	378.1913
Annotation	Stephasunoline
Peak:m/z	Relative Intensity
53.03930	0.3
53.39260	0.3
53.61890	0.3
55.01852	0.4
55.05496	0.4
56.05018	0.3
57.03432	1.2
57.29297	0.3
58.06578	0.3
61.02910	0.5
67.05473	0.5
69.03413	1.4
69.92016	0.7
69.92407	0.8
70.06582	1.1
72.08144	0.7
74.06084	0.6
76.64983	0.3
84.04502	0.6
85.02918	0.4
86.09692	1.0
91.05499	0.6
95.84107	0.3
98.20754	0.4
98.97616	0.5
99.04485	0.3
101.56115	0.3
109.99592	0.3
115.31887	0.3
121.06531	0.4
124.03922	1.2
129.25641	0.3
131.01848	0.4
131.08589	0.3
137.05977	0.6
150.06668	0.5
165.09088	1.2
172.08710	1.5
173.09038	1.2
176.07045	0.4
181.08626	0.4
184.07462	0.4
186.09224	0.4
192.10229	1.1
199.06953	0.4
200.10698	2.8
212.10692	1.0
214.08592	1.0
216.07680	0.5
216.10173	1.2
217.08167	0.8
218.11841	1.2
224.10666	0.8
226.08568	0.8
227.09500	0.6
228.10124	0.4
229.10982	1.2
230.08163	0.7
230.11815	2.1
231.12494	0.9
232.13181	0.5
237.11418	0.5
240.10170	2.8
241.10970	1.0
242.11774	3.8
243.08818	2.2
243.12434	0.6
244.09180	4.7
244.13280	0.8
246.11256	0.4
252.10368	0.7
254.11885	0.8
256.09506	0.6
256.10394	0.6
256.13336	10.9
257.13284	0.6
258.11337	1.0
258.14935	0.7
260.12820	0.8
268.13300	0.8
270.11301	0.7
270.14886	0.4
272.12845	4.2
273.13522	1.4
274.14304	2.5
276.12320	1.0
286.14484	1.0
288.12381	0.7
288.15872	1.0
290.13831	0.8
302.13953	0.4
304.15460	0.5
306.16678	0.7
318.16727	1.6
320.17773	0.5
328.14899	0.4
330.13559	0.4
332.14899	0.4
334.16479	0.9
334.20218	0.4
346.16602	2.4
360.18280	0.6
362.15921	3.3
363.16730	1.4
378.14948	7.9
378.19083	100.0
379.08023	0.8
379.19391	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03953	2.2
55.01874	0.8
56.05076	0.6
57.03444	6.3
59.05021	0.6
61.02932	3.0
69.03433	11.4
69.03818	0.6
70.78962	0.5
70.79282	0.9
71.01359	2.6
71.04998	3.3
73.02942	2.0
75.04502	1.8
81.03414	3.4
84.13856	0.5
88.25684	0.5
89.25757	0.5
99.04462	4.8
117.05514	1.0
120.08116	0.6
130.06586	0.6
137.06012	0.8
145.07639	1.9
159.09218	0.7
165.65805	0.5
170.07220	1.2
172.08701	30.5
173.09068	0.5
175.08626	0.5
190.09785	1.3
192.61063	0.5
198.06624	5.5
199.09763	0.5
200.08215	5.3
214.09830	0.5
215.14745	0.6
216.07698	16.5
243.08789	66.1
244.07062	0.9
244.09308	1.0
305.15555	1.0
319.17389	0.9
334.70737	0.5
345.15295	0.6
359.13266	2.5
377.14447	100.0
378.14734	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
57.03422	3.6
61.02929	6.0
67.05484	1.5
68.99462	1.1
68.99793	8.1
69.03410	3.2
69.38294	7.2
79.05471	2.1
81.03397	4.8
85.02901	11.7
87.00834	12.5
91.05454	3.5
95.04979	1.3
97.02878	2.8
99.04487	1.3
103.05467	2.0
105.07018	2.4
109.02891	1.4
115.05456	7.4
117.06992	3.6
121.06477	2.5
127.03958	1.7
128.06221	6.2
129.01825	5.0
129.07031	6.2
130.07790	2.5
131.04903	4.3
133.06485	2.3
137.05945	3.1
141.06989	11.5
142.07707	1.3
143.04898	4.0
143.08559	3.9
144.05725	11.6
145.06458	6.2
146.07239	2.6
147.04399	2.2
147.08035	1.4
148.05177	3.6
151.07550	1.3
152.06204	4.7
153.06985	4.0
155.04846	3.2
155.06042	2.0
155.08551	2.1
157.06523	5.7
157.10123	1.4
158.07283	15.7
159.04420	1.9
159.08070	7.3
160.05202	3.8
161.05983	26.4
161.09566	1.3
162.06735	4.3
163.07506	3.4
163.23608	1.0
164.08421	1.2
165.07019	3.5
166.07698	1.1
167.08594	9.8
168.05722	2.4
169.06487	10.2
169.10057	1.3
170.07298	4.5
171.02945	2.5
171.04433	3.2
171.08087	7.9
171.98430	1.1
172.05212	6.1
173.06017	3.0
173.09634	4.0
174.06775	8.6
175.03835	1.1
175.07559	16.1
177.07016	1.7
177.09113	8.7
181.06444	4.2
183.07986	2.3
184.05196	1.5
184.08720	2.9
185.06004	6.5
185.09619	4.0
186.06784	12.3
187.07561	38.2
188.04713	5.9
188.08299	2.9
189.03986	1.8
189.05470	6.2
189.09132	8.1
190.06201	5.6
191.07076	7.6
193.06454	1.5
194.07303	1.8
195.08078	13.0
197.06079	5.4
198.06799	3.1
199.03867	3.9
199.07545	7.9
199.11168	1.5
200.08197	1.7
201.09116	89.6
202.06248	1.0
202.09811	1.7
203.07011	2.6
203.10660	8.5
204.07796	1.5
209.09590	3.1
211.07523	3.6
212.04880	1.0
212.08307	5.6
213.05556	2.4
213.09126	14.2
214.06241	13.4
215.07054	1.7
215.10683	6.8
217.04953	8.9
217.08623	2.5
223.07527	4.0
225.09100	2.6
227.07001	3.2
227.10669	48.6
228.10991	1.3
229.08594	19.0
230.09482	1.8
231.10147	9.3
232.07326	21.7
237.09065	2.4
240.07771	1.4
241.08720	2.1
243.10176	4.0
245.08139	1.2
245.11749	6.3
255.10168	35.3
261.11255	2.6
273.11224	100.0
274.11530	2.0
291.12286	7.2
317.10242	2.0
347.11020	1.7
348.34219	1.1
359.11176	3.7
377.12299	4.9
377.20892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43787	0.8
52.59347	1.0
55.05521	0.9
56.96300	1.0
56.96569	19.6
57.07071	1.6
67.05504	1.9
69.07043	1.5
69.28928	7.3
71.08635	5.1
71.95240	3.3
72.96048	1.2
75.42438	0.9
81.07063	1.4
84.96021	1.5
88.07615	1.1
88.11271	11.2
93.07050	1.1
95.08592	2.4
97.96796	2.0
98.97592	1.0
105.00152	1.0
109.06499	2.0
110.97569	7.0
128.98595	7.3
137.02754	1.3
138.81152	0.7
146.99644	3.3
152.00201	1.2
165.12749	8.0
171.03236	1.1
175.02892	0.8
189.04408	2.2
203.05876	1.3
224.20021	1.8
272.65448	0.9
277.11115	2.3
278.24854	2.5
305.65894	0.8
313.33621	0.8
317.17871	41.3
318.18286	1.0
321.17126	0.9
333.17349	2.5
335.18933	100.0
336.19360	1.4
353.20016	16.1
358.20526	24.8
375.80365	2.3
376.21725	4.4
376.31958	7.6
376.36902	2.1
399.23056	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	11.0
61.02920	11.5
69.03429	4.3
69.54475	24.0
84.96073	3.9
85.02905	15.4
86.13390	3.6
92.83375	4.0
97.02883	5.4
98.21570	7.4
98.97565	9.3
101.00896	15.4
101.02409	4.2
103.00637	5.0
114.95578	4.6
119.01892	14.6
121.01695	7.4
121.06512	9.5
122.06809	5.0
123.04450	19.7
124.04746	7.8
124.05225	6.3
127.03912	9.2
128.98509	4.2
131.01942	4.9
133.03470	8.9
135.03232	4.6
137.05948	12.4
138.09102	5.8
143.00175	7.3
143.01891	12.8
145.03496	10.4
146.99608	6.4
147.03130	3.9
153.07632	6.3
155.01823	5.1
157.03465	6.2
161.02931	11.0
171.01425	10.5
173.02940	9.8
174.99117	4.3
185.02974	3.9
187.00896	4.1
189.00723	4.7
189.02371	5.7
207.01704	5.7
217.00191	6.2
217.02243	3.9
249.02660	5.3
266.99960	5.1
267.83362	4.0
271.06580	7.9
287.02582	4.9
299.02576	5.9
317.03568	9.1
335.04175	5.6
363.02408	4.9
377.04727	100.0
377.08603	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	376.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.5
56.96558	0.5
58.61327	0.5
65.72472	0.4
69.54784	3.1
85.02920	0.6
91.05485	3.0
93.07059	5.9
95.04990	0.7
98.97584	0.5
103.05489	3.1
109.80575	0.4
121.06521	100.0
122.06889	0.5
123.04423	3.1
138.09157	34.2
152.07076	1.8
154.08583	0.5
163.04405	0.5
178.09348	0.5
257.06100	0.8
362.39316	0.4
369.29202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33284	1.2
53.42231	1.2
55.01865	2.8
56.96557	1.3
57.03437	1.9
61.02930	3.0
62.06102	3.5
62.11966	1.6
69.03430	3.0
69.37860	4.2
69.38289	5.3
71.01345	1.4
71.05006	1.5
73.02915	2.2
81.03423	2.3
82.03722	1.3
84.08156	1.7
84.37964	1.1
85.02902	8.3
86.09737	2.0
91.05479	3.9
93.07037	5.9
95.04971	3.5
97.02877	2.8
98.97565	2.6
101.00907	1.9
101.02360	1.5
103.05480	2.9
107.04917	2.2
110.01861	1.1
114.24512	1.4
115.03930	3.2
119.01943	3.3
121.06513	100.0
123.04433	83.4
127.03931	23.0
127.98945	1.4
128.04243	11.2
137.05971	2.4
138.08139	2.1
138.09152	26.4
143.01920	3.0
144.99844	1.5
145.03392	1.4
145.04984	2.7
145.99915	1.5
152.07069	35.4
157.01379	2.3
161.05954	1.5
171.01501	1.8
181.06647	1.4
185.03040	2.3
188.00978	2.4
189.03929	7.8
207.05022	2.5
215.00577	1.5
216.00638	2.5
218.02063	1.5
224.74976	1.3
245.05028	1.5
314.07553	1.4
316.02118	1.6
359.11200	3.0
376.13263	1.5
377.08475	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
57.03435	1.7
61.02924	1.2
62.06097	1.0
64.59159	1.0
69.03426	2.9
71.55451	1.3
71.55859	1.9
79.05487	1.1
79.60107	1.1
81.61314	1.0
85.02909	7.7
95.04982	2.8
97.02892	2.9
98.97591	1.2
101.00867	3.6
101.02393	1.1
102.00977	2.0
115.03896	1.6
119.01910	3.8
120.02009	3.8
121.06513	16.8
123.04437	100.0
127.03933	5.3
127.98926	1.0
128.04243	1.2
129.10332	1.1
131.01903	1.6
133.03461	2.4
134.03580	1.3
137.02910	1.0
137.05960	1.5
138.09123	3.9
143.01920	1.3
143.03435	1.8
144.99866	2.2
145.04991	1.2
145.99971	2.3
152.07080	38.2
157.01361	2.3
161.03082	1.5
161.04506	1.2
168.89380	1.3
169.99925	1.8
173.02995	1.9
178.02583	1.1
179.74188	1.2
183.05000	1.3
187.00902	1.9
188.01042	2.7
189.03937	5.9
190.02583	1.1
201.02489	1.2
206.02107	2.3
207.05037	1.7
216.00496	2.3
220.03712	1.4
224.03041	1.2
230.02055	1.3
245.05055	1.6
246.01526	1.4
248.03018	1.6
254.53307	1.8
256.00043	1.6
263.53995	2.1
264.07605	1.7
274.01199	1.6
288.02399	1.0
316.02167	2.7
334.03146	3.0
344.01440	1.3
377.04715	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	375.2381
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03948	10.3
55.01862	8.2
55.05307	2.0
55.05515	23.7
56.96566	5.4
57.03422	9.3
57.07069	5.6
58.06585	6.4
59.04994	2.3
61.02913	12.1
62.78641	1.9
65.03951	2.5
67.05505	14.9
68.99784	5.2
69.03084	3.4
69.03433	53.4
69.06721	3.1
69.07066	39.0
70.06585	7.4
71.04998	11.2
71.57238	1.9
73.02919	8.1
79.05490	10.8
81.03419	35.8
81.07057	33.8
83.04982	17.0
83.08620	10.7
84.04515	3.6
84.08137	2.8
85.02909	100.0
85.06551	21.7
87.00813	3.9
87.04444	7.7
91.03968	4.0
91.05476	9.1
93.07054	20.6
95.04963	4.5
95.08610	50.0
97.02888	30.7
97.06521	7.0
97.10194	13.2
98.97575	10.0
99.04484	12.3
99.08092	21.5
103.03951	7.1
105.07013	7.7
107.04926	2.4
107.08587	30.4
109.02880	31.1
109.06502	2.7
109.10161	18.3
110.97620	2.5
111.04426	8.2
111.08101	5.1
111.11706	7.3
113.09639	9.3
116.98622	6.3
119.04961	4.2
119.08540	4.4
121.02840	3.3
121.06527	3.2
121.10139	37.4
123.04429	3.7
123.11674	7.9
123.12548	2.9
125.09637	8.7
127.03918	46.5
127.07541	2.4
128.98622	2.1
129.01793	3.0
131.08600	3.6
131.46738	2.1
133.10130	4.4
135.11699	22.7
137.05971	15.7
137.13293	18.1
139.03934	2.7
139.11159	7.2
145.01772	2.8
145.04970	14.0
145.06384	1.9
147.04449	3.7
149.13229	4.9
151.03883	2.9
151.07536	3.3
151.14830	4.7
153.12764	10.5
161.05942	3.6
162.05476	2.2
163.02759	4.8
163.07506	2.5
165.05460	3.6
167.07079	5.4
169.05052	3.6
171.02882	4.6
173.05911	2.8
177.16397	91.7
189.09045	2.2
195.17456	42.8
213.03883	2.8
213.18504	55.4
219.01793	6.0
223.07143	4.6
237.02876	4.1
239.92438	2.4
275.01636	2.6
278.06552	2.5
325.07953	2.9
331.13693	3.3
337.37778	2.1
353.05145	3.0
375.04770	5.2
375.08875	5.6
375.16550	3.4
375.19797	49.7
375.23990	10.4
376.21011	6.0
393.06833	2.3
394.97351	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	375.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01858	0.8
60.92545	0.8
69.03399	1.8
71.07545	0.8
71.07868	1.1
78.03439	2.1
81.03406	2.5
82.03749	1.2
84.08156	1.0
85.02898	1.8
88.35023	0.7
91.05483	9.7
93.05791	1.0
93.07042	9.2
95.04975	1.7
99.39236	0.7
103.05463	7.0
106.02911	7.3
106.06557	14.1
107.03269	3.5
109.02885	1.0
118.06536	1.1
119.04902	0.8
120.05695	1.7
120.08174	0.8
121.06509	53.6
122.06809	0.9
123.35052	0.7
124.03952	11.3
124.50978	0.8
125.04288	8.3
127.03910	6.0
130.06511	2.4
131.06059	1.1
132.26305	0.7
167.07289	1.2
167.08582	1.1
168.06807	1.2
168.08125	1.0
177.05409	1.1
180.08054	2.0
181.07571	3.1
182.09648	1.9
183.09219	1.8
193.07613	2.5
194.09729	15.3
195.09157	4.3
196.11223	2.4
204.08157	1.6
206.09743	8.1
207.09114	6.1
208.09952	17.9
212.10757	1.6
214.12236	0.8
214.50034	0.8
221.10732	11.1
222.11604	1.8
223.12300	100.0
224.10800	1.7
224.12842	2.6
226.12285	3.6
237.13885	4.9
251.07454	2.8
255.14932	19.7
268.08212	3.6
269.08447	7.9
272.10678	1.7
273.10468	1.5
275.11914	0.7
285.10220	1.7
286.12317	5.7
287.11893	0.8
288.13730	1.1
289.13480	1.8
298.12296	5.1
299.11819	7.3
300.12799	4.0
313.13498	4.0
314.15408	4.7
315.14926	35.3
327.14804	1.4
328.15710	4.4
330.14908	2.3
341.16486	5.1
342.17157	1.3
343.18063	38.0
344.18906	4.9
347.17554	8.2
369.95203	0.7
375.20657	58.3
376.21103	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.8
56.96553	6.0
58.06596	2.9
58.99863	4.5
63.97202	2.3
67.05501	4.0
69.07060	3.1
70.67551	7.3
77.00917	13.4
79.05489	7.8
80.05754	2.5
81.03375	3.3
81.07050	8.9
81.77924	2.5
83.04961	3.1
83.08612	5.6
85.02921	2.2
91.05475	3.1
92.39738	2.4
93.07038	4.4
95.01965	5.9
97.06545	5.2
103.02481	3.1
105.07006	2.9
107.08592	3.7
118.18607	2.8
131.01869	2.3
133.10117	3.1
137.05981	23.9
138.06323	12.9
141.03990	3.9
153.03984	3.0
153.95575	2.2
155.05542	2.4
157.03552	3.3
159.05029	3.4
159.11806	2.5
167.05630	2.6
169.07112	4.3
173.06566	7.7
181.07184	3.0
183.08679	3.9
185.06602	3.6
187.08160	8.5
191.07742	3.6
197.10149	3.1
201.09749	27.1
206.05133	2.9
213.09663	4.2
215.09267	5.4
215.11328	7.3
219.10777	9.6
221.06630	4.3
223.11832	6.6
227.11360	7.5
233.10208	8.4
239.11322	19.5
241.12912	7.9
243.14459	3.4
247.11896	3.9
249.09570	4.7
251.11270	42.1
253.12856	9.5
257.12360	34.3
262.12891	6.7
263.11194	8.3
264.12039	4.0
267.10751	25.5
269.12418	64.6
272.20108	7.7
273.17004	3.0
274.12964	7.3
275.14880	4.9
281.12390	6.2
287.18762	2.8
288.15912	8.8
290.12338	4.0
291.18124	7.3
292.13892	5.0
297.17078	3.8
315.18076	30.5
317.17825	4.4
333.19107	90.4
342.17004	6.2
351.20175	100.0
352.20300	3.4
356.20596	11.5
374.14337	14.4
374.22046	12.2
374.30551	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	374.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96297	1.3
56.96571	23.2
57.07076	0.8
61.02917	0.6
70.00809	1.8
70.01212	1.5
70.06590	1.7
71.95271	4.7
72.96044	1.5
74.97610	1.4
81.07080	0.8
84.96021	2.1
88.07632	0.7
91.05512	0.8
97.96784	2.9
98.97595	1.8
100.56583	0.6
105.00145	1.9
107.53697	0.6
110.96845	0.7
110.97581	12.6
115.97803	1.3
119.01701	0.9
123.01271	0.9
124.99167	1.3
128.98619	13.4
129.02242	0.6
132.10223	1.7
137.02740	0.9
137.05989	4.6
138.06299	2.0
143.00180	2.0
146.99655	5.6
150.11230	2.0
150.23459	0.5
152.00209	1.4
153.02245	0.7
155.03751	1.0
157.01778	0.7
161.01241	1.7
170.01300	0.7
171.03343	1.8
185.04797	1.1
189.04398	1.3
190.05177	0.9
191.05936	0.7
203.05905	1.2
211.57616	0.6
227.09540	0.8
241.11195	1.7
245.08514	1.5
252.10254	1.1
259.12296	1.1
263.09570	5.7
264.10278	1.3
265.11060	0.9
270.11536	1.1
272.19925	1.2
277.11273	0.7
281.10504	1.3
303.12759	2.8
313.15079	0.8
315.16321	52.7
317.17920	1.6
321.13797	1.2
331.15863	2.0
333.17392	100.0
334.17850	2.1
351.18463	31.0
352.18643	1.0
356.19025	17.1
357.19119	0.8
374.20102	4.6
374.36353	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	374.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
56.96569	0.5
57.03432	1.5
58.06594	0.8
61.02919	1.5
61.12402	0.7
69.03437	2.9
69.79572	2.8
70.06584	2.0
71.04964	0.6
73.02911	0.9
78.03434	0.9
81.03418	3.1
84.04498	1.2
84.08125	1.9
85.02914	8.5
86.09712	1.5
87.04472	1.2
89.06038	50.5
91.03986	0.6
91.05514	0.6
92.91930	0.5
93.70731	0.5
95.55270	0.5
97.02890	2.5
98.97587	1.5
99.04457	1.4
103.03969	0.7
106.02924	6.1
107.04976	0.7
107.07088	2.9
109.02895	1.6
121.06478	0.7
124.03967	13.2
126.53008	0.6
127.03917	6.1
128.98566	0.6
130.08618	0.6
133.08614	17.5
133.09615	0.9
137.05995	5.4
138.06323	2.5
145.04951	1.7
151.09637	2.3
166.05162	0.6
177.00772	0.9
177.11282	3.0
195.12299	100.0
196.12651	1.2
198.07610	3.7
213.02481	0.6
220.08038	0.7
243.10832	0.6
250.07117	0.9
256.03470	1.1
268.08194	5.1
353.43152	0.6
374.11130	0.8
374.15790	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	374.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70971	0.8
53.03931	1.1
55.01880	1.1
57.03429	1.5
61.02922	1.6
65.03919	1.0
65.38245	0.9
66.89722	0.9
69.03417	3.8
70.84792	1.6
75.02799	0.9
75.22305	0.8
79.05489	1.7
81.03409	2.3
81.07030	1.1
85.02442	0.9
85.02911	13.1
89.72209	0.7
91.05482	2.8
95.04973	0.9
97.02879	3.6
98.97597	1.2
99.04482	1.3
103.05476	9.0
105.06995	2.0
107.04967	10.8
109.02884	2.6
111.04431	1.1
120.05730	1.5
122.06013	1.2
125.05987	1.0
127.03882	4.2
131.04901	2.4
133.06445	0.9
135.08069	9.6
137.05986	6.1
138.06287	2.0
139.03929	6.1
145.04980	3.3
145.06400	1.4
148.05197	1.7
149.05884	1.0
151.04002	1.0
151.07651	1.0
154.06261	42.9
163.07544	34.5
167.07010	1.4
180.07671	7.8
195.10182	100.0
196.10440	2.4
202.05779	1.0
292.15015	1.0
314.11526	0.9
344.07407	0.8
374.13489	0.7
374.15878	1.0
374.23636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90648	0.7
54.89445	0.7
56.48070	0.7
57.03415	1.1
61.02920	1.5
67.05497	2.9
69.07084	0.9
73.02929	0.9
79.05489	2.3
81.03436	0.9
81.07065	1.2
91.03945	1.3
91.05483	3.8
92.65569	0.7
93.07018	0.8
96.08119	2.3
97.02918	1.1
105.07027	2.5
110.97567	0.9
115.05446	1.7
117.07021	12.7
119.08575	8.1
121.15746	0.7
128.06184	1.4
129.07002	1.7
130.07829	1.3
131.08537	2.3
133.06462	0.8
133.10118	0.7
136.07567	1.7
137.05986	7.2
138.06346	5.0
143.08557	4.7
145.01781	0.8
145.06493	3.3
145.09021	1.5
145.10132	15.4
146.73976	0.7
147.08037	1.7
147.11671	2.1
155.08585	6.3
157.10107	1.5
158.07184	0.9
159.08009	1.3
159.11803	0.8
160.11169	1.8
169.10092	1.7
170.09590	0.9
171.08060	1.1
171.11751	1.7
173.05978	7.6
173.08292	1.3
173.09671	3.7
179.08685	1.1
182.10939	2.2
183.11703	3.1
188.10742	3.5
188.99016	0.9
196.07709	1.0
197.13335	4.3
201.09309	1.5
207.11725	1.8
214.08781	1.2
214.15935	1.3
216.10213	100.0
217.10504	1.8
225.12761	2.8
225.16249	1.2
230.30847	0.8
244.13356	24.7
245.12206	1.3
252.13809	1.7
253.12318	5.0
270.14902	38.7
281.15445	1.1
298.18042	20.8
302.17520	72.0
303.17712	1.2
315.18201	1.2
330.20642	59.2
331.20767	1.1
333.19159	2.9
351.20093	2.6
369.18011	0.8
374.15277	1.5
374.19626	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	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
53.03947	2.8
57.03429	1.2
59.21459	0.4
61.02934	0.5
69.03431	10.2
69.85973	2.3
71.04986	1.8
73.02933	0.6
78.03023	0.9
78.03456	14.2
79.04250	0.4
80.05030	2.0
81.03418	16.6
85.02906	9.9
86.09717	2.0
89.06036	0.9
96.04493	2.2
97.02904	4.9
99.04465	2.3
106.02917	59.3
107.03230	0.5
109.02884	10.9
121.92503	0.4
124.03956	100.0
125.04256	0.7
127.03921	9.6
127.04813	0.8
130.06540	0.8
137.05975	0.6
145.04955	0.7
166.05013	2.2
177.05490	0.7
177.31471	0.4
191.34392	0.4
199.18024	0.6
208.06035	0.5
232.06026	5.3
250.04434	0.6
250.07115	20.6
268.08160	56.8
269.08530	0.9
374.14880	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	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.7
53.03955	2.9
55.39080	0.4
57.03428	1.1
61.02919	0.6
69.03081	0.8
69.03429	8.5
70.72589	1.3
71.04988	1.4
78.03025	0.8
78.03456	12.5
79.04251	0.6
80.05012	1.8
81.03416	17.4
85.02905	9.7
86.09709	1.2
89.06033	0.9
96.04488	2.0
97.02901	4.1
99.04439	2.4
106.02914	56.3
109.02882	10.0
124.03954	100.0
125.07130	0.6
126.07439	0.6
127.03906	6.4
137.05974	1.0
145.02858	0.7
145.04967	0.9
166.05017	1.7
177.05507	2.1
195.06610	0.7
230.45639	0.5
230.59605	0.5
232.06012	5.0
242.99722	0.5
250.07109	18.3
268.08157	54.7
289.81708	0.5
374.14487	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	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92964	0.5
53.03934	1.5
55.01864	0.6
56.91726	0.4
57.03433	0.8
57.32167	0.4
58.06591	2.0
68.00494	0.5
69.03426	1.2
70.06598	0.5
70.18127	1.8
72.08159	0.6
81.03395	0.6
84.04488	0.8
84.08162	0.6
85.02908	1.3
91.05488	3.1
93.07048	7.1
95.04981	1.0
97.02873	1.5
98.20858	0.6
101.00871	0.6
103.05476	4.7
105.04524	0.4
114.56207	0.5
117.01828	0.5
121.06508	100.0
122.06812	0.8
123.04474	0.5
124.03976	1.1
127.03924	0.9
128.98595	0.5
134.65744	0.5
136.06204	1.5
136.07597	0.5
137.05991	1.9
138.09142	27.2
143.01958	0.6
175.00865	0.7
196.09540	0.6
203.28075	0.4
205.01920	0.7
212.09225	0.6
238.02516	0.6
310.61816	0.5
329.62851	0.6
374.16187	2.3
390.42273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30637	0.4
52.07345	0.4
52.57856	0.5
53.03938	1.9
55.01872	3.5
57.03433	2.6
60.43034	0.5
61.02940	2.6
65.03954	2.6
68.99781	1.5
69.03435	14.5
69.48756	3.5
71.04994	1.5
73.02921	3.0
81.02986	0.7
81.03426	9.0
83.01317	0.5
85.02913	41.6
87.00835	18.8
87.04487	0.6
91.05489	100.0
92.05847	0.9
94.11723	0.5
97.02892	14.6
98.20808	1.1
99.04464	6.0
103.03989	1.2
105.01871	35.4
105.07014	1.5
108.04503	1.8
109.02882	14.5
115.03946	1.3
117.01860	1.7
117.07060	0.9
126.05568	0.7
127.03928	34.5
129.01877	1.3
129.06993	1.0
133.06561	1.5
137.05952	0.8
143.03526	0.6
143.08440	0.5
145.04971	18.7
145.06461	1.3
147.02905	1.6
157.06546	1.1
159.02902	7.1
171.02965	0.5
171.08084	1.6
175.07581	2.1
181.06642	1.2
187.07527	0.5
189.03993	2.8
191.14783	0.6
195.06555	1.8
199.07614	2.4
213.03946	1.8
217.08685	2.3
231.05028	11.2
235.09734	0.7
248.07756	2.0
249.06099	2.6
303.08728	0.7
321.09860	2.1
339.11005	0.6
374.15097	1.5
374.19803	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	373.2224
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.05523	9.4
56.96566	2.0
57.03442	2.3
57.07072	3.0
67.05511	15.7
69.03431	9.5
69.07068	10.5
71.57155	2.4
79.05465	3.1
81.07068	21.6
83.04987	7.9
83.08613	4.8
85.02921	10.7
85.06557	4.6
86.09721	3.5
91.05472	5.6
93.07030	8.4
94.04173	1.9
95.04978	2.5
95.08615	27.6
97.02912	3.3
97.06549	2.3
98.97587	3.6
99.08058	3.8
102.44941	1.9
105.07028	7.0
107.04938	2.2
107.08593	21.3
109.02879	2.0
109.06488	10.1
109.10162	92.5
111.04425	2.1
111.08089	4.0
113.14443	2.0
116.37376	2.5
119.04922	2.5
119.08576	37.7
121.10144	13.6
122.03645	3.5
123.08059	12.9
123.11679	8.4
133.10132	21.4
135.11705	100.0
136.27736	2.0
137.04999	3.8
137.05989	45.5
137.09613	13.0
146.07304	2.1
147.08104	1.9
149.05969	1.9
149.13235	6.5
151.07565	5.2
151.11208	7.9
151.14801	10.8
153.12764	2.8
157.53470	2.0
167.07053	9.0
175.14835	39.7
175.43198	2.1
193.15894	65.9
199.98164	1.9
201.05487	8.2
211.16948	70.1
265.08414	2.7
271.06085	4.8
305.11597	3.3
311.78488	2.0
325.10657	3.6
343.11749	6.3
357.55493	2.1
364.71869	2.7
373.14493	7.6
374.19617	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	374.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50269	0.4
55.01879	0.6
57.03443	2.6
57.85960	0.4
69.03417	1.4
70.06602	1.3
70.13470	2.1
70.93119	0.4
71.01362	3.8
73.02921	5.1
75.04482	0.5
77.35650	0.5
78.03463	3.8
79.04230	0.5
80.05031	2.4
81.03436	0.7
83.01343	1.1
84.04499	0.9
85.02914	10.9
86.09707	0.7
89.06026	1.7
95.01323	5.6
96.04500	2.0
97.02885	1.2
98.21460	0.7
98.97576	0.7
99.00839	0.9
100.13772	0.5
101.02373	2.0
103.03947	1.6
106.02919	22.7
109.02884	0.9
113.02384	4.4
124.03963	100.0
125.04317	0.6
127.03933	1.6
131.03442	1.7
133.08684	0.6
137.06038	2.3
138.06273	0.9
141.01843	10.9
159.02931	2.4
177.00682	0.4
180.06566	17.2
187.73933	0.4
195.12236	2.3
198.07635	91.5
212.09174	1.1
218.35626	0.5
250.07076	1.0
268.08185	2.7
374.10849	11.4
374.15222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53586	1.9
53.03934	5.7
55.01861	4.6
55.05510	9.5
56.96556	3.9
57.01052	1.9
57.03425	5.7
57.07060	1.9
67.05509	23.9
69.03431	21.1
69.07076	18.6
71.05000	4.9
72.08167	2.2
79.05489	15.9
81.02990	2.5
81.03426	43.8
81.07059	71.4
83.04967	6.2
83.07398	1.9
83.08614	5.5
85.02915	16.0
85.06554	6.1
86.09676	2.2
86.17625	2.0
87.00818	2.3
91.05476	28.7
93.07051	15.2
95.05020	4.0
95.08615	16.2
97.02887	15.2
97.06532	7.5
98.97576	3.3
99.04454	7.8
99.08108	4.7
103.05457	2.3
105.07041	33.1
107.04956	4.2
107.08587	13.8
109.02888	23.3
109.06502	6.2
111.08081	4.3
116.98604	3.0
117.06948	2.4
119.04948	2.0
119.08588	29.5
121.06535	4.7
121.10152	22.6
122.03659	6.6
122.05985	2.4
123.04384	3.1
123.08046	4.4
123.11716	28.9
127.03927	21.7
127.07555	3.9
131.04959	2.5
131.08519	2.8
133.10153	3.6
135.11734	2.5
137.05984	100.0
137.13202	2.5
145.04958	4.6
145.06493	2.8
145.10112	3.0
146.07202	3.1
147.04330	3.0
147.11690	79.6
149.06007	4.2
149.38478	2.0
151.03989	2.6
151.07535	10.9
161.05988	3.8
165.12781	46.9
167.07068	6.4
175.11185	4.8
177.05473	6.3
177.09128	8.1
183.13795	8.6
187.07590	2.4
191.07083	2.3
193.12212	8.3
201.05498	15.0
211.13274	3.0
217.08635	3.0
219.06433	3.6
222.06595	2.2
229.14302	20.1
267.11264	3.7
305.11749	6.3
313.11670	6.1
325.10794	4.9
337.16333	6.1
355.11649	2.8
355.17471	7.8
373.13971	8.7
373.21527	3.1
379.89908	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	373.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46952	1.0
51.54821	0.9
55.01862	1.4
63.02332	1.0
65.03906	1.2
67.05487	1.1
69.03420	3.3
69.07054	1.7
69.21332	9.9
70.06593	1.3
75.09940	1.0
79.05476	3.3
81.03405	1.4
81.07034	1.6
85.02897	8.4
86.09686	2.3
89.03897	1.4
89.06015	1.8
91.05479	100.0
92.05833	1.2
93.07056	1.3
94.28637	1.0
95.08569	1.6
97.02889	2.5
97.06524	2.0
103.05426	2.0
104.04952	1.6
105.07023	3.2
106.06525	1.9
107.04940	2.2
108.04455	1.0
109.06528	1.2
109.10155	2.0
110.88961	1.1
113.12820	1.1
115.05397	1.5
116.04953	1.5
117.03343	1.7
117.05752	3.1
119.04938	2.5
121.06474	1.6
122.03639	2.7
127.03893	1.6
127.51392	1.1
130.06573	1.1
131.04961	1.2
133.06438	1.2
133.10188	1.5
134.06013	51.4
134.95573	1.2
137.05977	41.7
137.09601	1.3
145.02824	3.6
145.05077	2.0
145.06485	1.8
146.07329	1.2
147.04399	2.0
147.11687	1.2
149.05988	1.6
151.07530	3.7
152.07103	2.1
158.03702	1.4
159.04317	1.1
162.05486	8.0
162.06696	1.9
173.05974	3.5
175.07550	1.2
177.05493	3.1
177.09216	1.3
180.06558	32.1
194.08128	89.8
201.05457	17.0
205.06401	1.4
211.08755	1.4
211.16898	1.4
219.06444	1.5
219.10100	1.1
225.10234	1.9
237.09094	1.3
239.11765	2.5
250.06203	1.4
255.02888	3.5
257.13022	1.0
265.08661	2.8
267.11121	2.5
293.08057	1.7
295.10410	1.4
305.08435	1.2
305.11566	2.4
307.09720	2.7
311.63657	1.0
313.11801	9.6
325.10693	6.6
337.10797	2.2
337.14426	1.3
355.11646	2.8
373.07080	4.4
373.13812	15.7
373.18164	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	373.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53586	1.9
53.03934	5.7
55.01861	4.6
55.05510	9.5
56.96556	3.9
57.01052	1.9
57.03425	5.7
57.07060	1.9
67.05509	23.9
69.03431	21.1
69.07076	18.6
71.05000	4.9
72.08167	2.2
79.05489	15.9
81.02990	2.5
81.03426	43.8
81.07059	71.4
83.04967	6.2
83.07398	1.9
83.08614	5.5
85.02915	16.0
85.06554	6.1
86.09676	2.2
86.17625	2.0
87.00818	2.3
91.05476	28.7
93.07051	15.2
95.05020	4.0
95.08615	16.2
97.02887	15.2
97.06532	7.5
98.97576	3.3
99.04454	7.8
99.08108	4.7
103.05457	2.3
105.07041	33.1
107.04956	4.2
107.08587	13.8
109.02888	23.3
109.06502	6.2
111.08081	4.3
116.98604	3.0
117.06948	2.4
119.04948	2.0
119.08588	29.5
121.06535	4.7
121.10152	22.6
122.03659	6.6
122.05985	2.4
123.04384	3.1
123.08046	4.4
123.11716	28.9
127.03927	21.7
127.07555	3.9
131.04959	2.5
131.08519	2.8
133.10153	3.6
135.11734	2.5
137.05984	100.0
137.13202	2.5
145.04958	4.6
145.06493	2.8
145.10112	3.0
146.07202	3.1
147.04330	3.0
147.11690	79.6
149.06007	4.2
149.38478	2.0
151.03989	2.6
151.07535	10.9
161.05988	3.8
165.12781	46.9
167.07068	6.4
175.11185	4.8
177.05473	6.3
177.09128	8.1
183.13795	8.6
187.07590	2.4
191.07083	2.3
193.12212	8.3
201.05498	15.0
211.13274	3.0
217.08635	3.0
219.06433	3.6
222.06595	2.2
229.14302	20.1
267.11264	3.7
305.11749	6.3
313.11670	6.1
325.10794	4.9
337.16333	6.1
355.11649	2.8
355.17471	7.8
373.13971	8.7
373.21527	3.1
379.89908	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	372.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21244	6.8
55.05521	15.0
56.96561	24.1
58.06616	8.2
61.02941	8.7
67.05511	20.8
69.03436	7.1
69.07074	26.7
69.26541	68.6
69.40676	7.4
72.08177	8.1
73.19740	6.3
79.05498	22.9
81.03426	14.5
81.07054	31.5
81.14748	7.0
83.04974	9.1
83.08642	8.3
85.02916	10.1
91.03943	8.2
91.05475	26.5
93.07043	12.9
95.08613	21.5
95.15805	6.7
97.02906	9.0
97.06538	10.9
98.21538	14.1
98.97606	19.0
105.07038	9.8
107.04914	6.9
107.08626	17.0
109.06548	7.3
109.10183	16.5
114.68282	6.9
116.98649	8.2
119.08603	8.3
121.10162	7.9
123.11692	11.0
127.03889	9.9
133.10109	11.6
137.05992	100.0
141.06909	7.4
159.11789	9.6
175.51085	6.8
177.09084	11.1
190.95424	7.9
191.06963	12.1
244.09900	7.9
291.19785	8.3
292.12546	15.5
305.11700	7.5
329.29480	8.1
343.93103	7.8
349.16812	14.9
351.74274	9.7
372.25513	15.7
373.15201	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	372.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.3
56.96566	34.4
61.02950	6.9
67.05494	17.0
69.07064	9.7
71.38023	12.2
79.05497	14.4
81.07038	21.9
91.05465	20.1
93.07056	9.2
95.08598	8.3
97.02908	8.6
98.97552	9.3
102.51041	7.9
105.07017	13.3
105.42671	7.9
107.08591	6.7
109.02875	6.5
109.10137	7.3
122.06019	7.4
128.98569	8.7
137.05980	100.0
151.07567	8.8
153.05576	7.5
237.08002	6.5
255.08676	7.9
255.16130	8.1
277.11163	10.3
280.95227	9.9
292.12439	7.7
305.11804	8.3
331.15686	37.0
340.19714	6.2
349.16898	68.2
372.18085	11.9
372.20792	7.0
372.25128	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	372.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96299	2.4
56.96571	32.0
71.95255	4.4
79.05502	15.6
81.07068	1.5
84.96002	1.6
87.04483	5.6
91.05466	3.4
97.96821	1.2
98.21563	3.4
98.97571	4.0
103.00727	1.2
105.00156	1.6
105.06981	1.3
107.08604	3.1
110.97591	5.5
116.98631	2.4
123.01207	1.4
128.98621	5.8
137.05933	4.8
146.99651	4.0
149.02290	1.5
153.02254	2.1
155.03778	2.5
157.01578	1.5
161.01192	1.7
167.03717	1.6
169.01732	2.1
169.05331	1.1
171.03284	5.1
173.04854	4.5
177.00203	1.0
183.03255	2.0
184.04041	1.4
185.04883	3.7
189.04407	3.1
190.51089	1.6
191.05927	1.8
199.06442	2.4
201.08032	2.1
202.05072	1.4
203.05901	2.3
207.03253	1.8
215.09473	1.8
217.07573	3.6
225.04308	3.5
225.07980	2.1
227.05879	2.4
229.07472	3.2
234.15102	1.0
243.09076	10.3
247.08543	1.3
252.09123	1.3
253.07484	1.6
255.09036	4.6
261.10205	5.7
266.10574	1.9
268.09897	1.9
281.10657	2.9
301.11215	1.2
308.54657	4.8
313.14703	2.5
317.54767	1.2
329.14203	1.6
331.15811	100.0
332.16266	1.4
348.56854	1.5
349.16879	90.7
354.17590	1.4
355.91187	1.1
367.17972	7.7
372.13861	1.8
372.18484	30.9
372.25583	1.5
372.31003	2.1
377.37146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1807
Annotation	(-)-Thaicanine
Peak:m/z	Relative Intensity
53.03934	0.9
55.05490	0.5
56.96569	0.9
57.03442	0.6
58.06586	0.4
60.92530	0.5
67.05494	2.3
69.03419	0.7
69.07056	1.2
69.89249	1.3
72.04513	3.1
79.05476	0.7
81.03412	1.4
81.07046	1.7
85.02871	0.6
88.99836	0.5
91.05464	0.8
93.07053	0.9
94.06561	1.9
95.08622	0.6
98.21407	0.7
98.97589	0.7
99.04497	0.5
101.18047	0.5
101.42172	0.5
105.07004	1.0
107.08577	0.8
109.02886	2.3
109.22565	0.5
122.06038	6.8
127.03910	1.2
137.05986	2.3
141.05478	1.5
151.07596	0.8
175.50049	0.5
179.08551	0.7
191.08568	0.6
194.07312	0.6
195.08083	1.8
205.14209	1.2
208.08751	0.8
209.09630	3.2
210.06787	0.9
210.10419	0.6
211.07576	1.9
212.08321	1.1
221.09593	3.4
222.10460	2.9
223.07610	0.8
223.11160	0.8
224.08316	2.7
225.09065	3.1
226.09885	5.5
227.10732	1.7
231.30391	0.5
235.11339	0.6
236.08380	1.0
237.09085	3.3
238.09879	6.2
239.07043	1.1
239.10562	3.4
240.07832	1.9
241.08568	1.6
241.12209	2.6
242.09396	0.7
249.06824	0.6
249.09070	2.8
250.09944	2.0
251.06970	0.5
251.10716	1.7
252.07825	0.8
252.11545	3.4
253.08519	1.7
253.12254	6.3
254.09383	2.7
255.10158	5.8
256.10526	0.5
257.11719	0.9
263.10742	0.8
264.11554	1.4
265.08939	1.0
265.12189	7.4
266.09378	1.7
266.12985	0.6
267.10153	1.0
268.11014	3.8
269.11710	13.4
270.09528	0.9
270.12531	6.2
271.09720	0.8
280.10898	1.8
281.11743	19.0
282.09006	0.7
282.12408	1.8
283.09689	3.5
283.13303	2.9
284.10748	1.1
284.14066	21.1
285.11313	6.3
285.14392	1.0
286.12033	1.8
293.13168	0.7
295.13376	1.3
296.14090	25.6
297.11197	6.8
297.14053	0.7
298.12036	6.6
299.12863	1.5
300.13611	8.9
301.14233	0.9
311.13708	0.8
312.13461	10.7
315.15854	1.5
327.15881	4.3
339.13281	0.9
343.11203	0.7
344.18588	30.7
349.16898	0.7
372.18069	100.0
373.18610	1.3
390.19318	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	371.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47840	0.5
69.03436	1.0
70.06599	1.1
70.73289	0.7
70.73633	1.3
73.06563	1.0
79.05509	0.7
84.08127	0.6
85.02906	1.2
86.09736	0.6
87.04487	3.3
89.06036	100.0
95.04970	4.2
97.02888	0.8
98.97596	0.7
99.04463	1.4
107.07103	1.5
124.04025	0.5
127.03921	1.4
130.08640	0.8
131.07076	1.1
131.08560	0.5
133.08611	52.5
137.05963	0.8
153.09171	1.6
164.07130	1.1
175.09747	0.7
177.11224	14.4
177.12683	0.9
191.14264	0.7
207.91519	0.6
209.15468	2.0
221.13852	1.1
239.15002	0.7
249.14163	0.6
283.17334	1.4
310.04565	1.1
327.20248	1.4
353.06628	3.1
371.07837	2.0
371.22775	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	371.2066
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
50.55136	2.9
53.03944	8.7
55.01856	5.2
55.05519	26.3
56.96580	6.0
57.03431	10.3
57.07075	16.3
58.06598	8.0
59.05008	7.1
61.02922	7.0
63.88754	2.8
65.03938	4.5
67.05502	13.8
69.03437	35.9
69.07073	36.6
69.69664	23.0
70.06605	20.1
71.01355	3.4
71.04990	12.3
71.08611	4.0
73.02927	7.0
79.05493	27.5
81.03403	13.4
81.07066	82.7
83.04987	33.7
83.08622	72.2
84.04503	6.8
84.08144	7.8
84.96104	2.8
85.02918	54.0
85.06547	7.0
86.09705	8.7
87.04473	11.2
87.09972	3.4
89.06029	18.6
91.05466	20.0
93.07053	37.7
95.04966	22.0
95.08603	25.0
97.02910	19.4
97.06532	16.2
98.97589	13.3
99.04463	9.0
103.03942	12.5
103.05457	3.3
105.07032	22.8
107.04972	3.5
107.08598	48.6
109.02887	8.8
109.06522	82.8
109.10162	55.7
111.04440	3.6
111.08077	20.4
116.47442	2.9
116.98612	6.2
119.04941	5.2
119.08585	11.7
121.06499	6.8
121.10162	38.4
123.04428	3.8
123.05591	4.1
123.08072	12.0
123.11708	30.6
125.07122	3.6
125.13280	8.9
126.03722	4.5
127.03925	21.1
127.07538	7.1
130.05006	4.1
131.08580	17.3
133.08630	6.7
133.10135	54.7
135.04451	3.6
135.08080	23.3
135.11629	5.9
137.05986	13.6
137.09647	8.7
139.07617	4.5
145.04967	6.1
145.10133	8.7
147.04410	3.3
147.06499	3.7
147.11682	11.7
149.09630	85.3
149.13268	62.6
149.62570	3.1
151.11195	18.3
153.09135	14.8
158.10944	6.7
161.05986	4.4
163.14844	14.7
164.07077	4.4
165.12758	14.9
167.07082	16.5
167.14325	71.2
169.12248	9.1
171.10162	7.2
173.13290	34.0
175.07570	4.7
177.11171	4.3
187.07666	4.1
191.14313	80.8
191.16071	4.1
209.15376	100.0
209.17342	5.2
212.07452	12.0
221.10756	3.9
227.16422	10.8
248.99187	9.4
268.07983	3.1
315.14255	5.6
353.06509	4.8
353.19843	10.7
371.16550	9.2
371.20859	7.9
372.13971	4.8
372.18088	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	371.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.2
56.96559	2.5
57.03450	2.3
60.04509	1.2
62.82359	1.2
69.03410	5.1
70.06566	3.1
70.26098	2.7
72.04527	2.8
72.08131	4.1
73.02931	6.6
73.04750	4.4
80.05006	1.5
81.03421	2.2
84.04472	2.5
84.08143	2.6
85.02908	11.9
86.38515	1.1
87.04450	1.2
91.05843	1.8
93.05764	5.7
94.06573	12.5
96.15425	1.3
97.02896	7.9
98.21547	1.3
98.97585	3.8
103.05466	2.1
104.04950	2.7
106.06581	9.8
109.02876	2.9
114.24685	1.3
118.06560	10.1
120.04431	4.1
121.22649	1.5
122.06019	2.8
127.03873	4.1
130.05624	3.0
130.06540	57.7
131.06828	3.0
132.08041	3.3
134.05920	1.7
136.05305	1.6
136.06206	18.4
136.07564	9.3
137.04744	1.6
137.05928	1.7
138.05379	1.5
139.05869	1.4
144.54106	1.6
145.04996	1.4
146.06017	8.9
147.06691	1.8
148.07498	2.1
150.05450	6.3
152.07027	2.9
154.06442	1.5
155.04633	2.0
156.08034	3.3
160.07558	2.3
165.07895	11.6
166.08629	3.6
167.07210	2.0
168.08054	4.8
170.06023	2.1
174.05525	3.8
174.09024	2.1
178.08620	7.2
180.08060	5.6
181.08768	4.2
191.07201	3.3
192.06534	16.5
192.10056	1.7
193.03203	1.7
193.08893	2.0
194.07848	2.8
194.09615	5.9
196.11241	3.0
204.08006	5.3
206.09760	18.8
207.09113	4.6
208.09711	6.1
208.11360	2.6
209.09134	16.9
218.09343	1.5
219.01736	2.1
219.09113	2.8
220.09804	4.6
221.08794	1.3
221.10748	26.0
222.11349	8.1
222.73174	1.4
223.08749	1.9
223.12303	30.6
224.07120	1.3
224.12650	6.5
233.10756	2.2
234.11298	1.9
235.12289	15.4
236.12637	4.5
239.11650	3.9
243.11188	5.6
244.09599	1.3
251.07889	1.6
251.15382	2.9
264.33508	1.4
265.09662	3.6
267.11304	13.3
268.11539	1.9
269.12561	2.5
270.07629	1.7
276.14780	2.4
277.12863	17.9
277.15546	5.6
278.13522	6.2
279.11115	4.9
280.11914	3.7
285.00952	3.0
287.10300	12.0
293.12799	4.8
294.13492	3.8
295.14206	51.8
300.14267	1.9
318.09549	1.7
321.12064	7.2
327.16879	5.1
339.13318	100.0
340.13937	4.0
355.06659	2.3
371.15912	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59180	1.5
55.01870	2.8
56.05053	1.2
59.35094	1.3
67.05512	1.6
69.03439	3.2
69.07069	2.2
70.71325	2.6
78.04686	2.3
79.05494	10.0
81.03426	2.7
81.07047	3.6
83.04963	1.3
88.13734	1.4
90.12498	1.2
91.05474	13.0
93.03403	1.8
94.04188	1.9
95.04943	2.9
95.08578	1.6
98.97581	2.4
103.05502	1.8
105.07035	11.8
107.04958	18.8
109.02872	6.1
109.06495	1.8
109.10204	1.6
111.04422	2.1
115.05454	5.6
117.06953	2.2
119.04966	2.2
119.08578	2.8
121.06519	2.9
122.03644	6.1
122.06030	2.4
122.56568	1.3
123.04421	6.5
124.05182	3.9
125.05979	1.7
127.03951	3.6
128.06204	4.9
129.05521	1.9
129.07022	15.1
131.04916	5.0
131.08546	4.5
132.05673	2.8
133.02817	2.0
133.06500	4.0
137.05980	45.7
141.07027	2.7
144.05663	7.1
145.06516	3.6
145.10077	1.7
147.04382	1.6
147.08037	2.8
149.06006	3.5
151.03899	3.5
151.07579	3.1
152.04684	3.4
153.05467	2.4
156.05682	11.4
157.06503	4.0
159.08047	16.2
160.05173	2.4
161.06009	10.0
163.03929	2.8
167.07048	100.0
169.06479	2.3
172.05219	4.4
174.06757	3.4
175.07570	24.8
177.05516	3.9
178.07780	2.8
179.07037	2.7
184.05272	2.5
187.07556	34.8
189.06979	2.6
189.09084	5.4
190.07719	2.7
191.07053	5.4
191.08588	2.3
193.08578	3.2
193.10210	2.0
199.07509	8.4
202.06136	3.0
202.07784	3.3
203.08557	7.0
205.08476	3.0
206.07275	6.3
207.08083	2.4
211.07539	3.8
215.08588	2.9
217.06528	3.1
217.08594	37.1
218.07246	5.7
219.08041	5.2
219.10126	3.4
220.08757	2.1
221.09592	7.2
223.07610	2.2
226.06224	1.9
231.08081	6.2
232.08888	2.5
233.09564	9.0
234.06729	9.9
235.07513	8.1
239.07076	10.8
241.08640	6.4
243.07901	1.5
246.06783	3.2
247.07481	5.6
247.09685	12.5
248.08324	3.2
249.09143	17.1
250.09904	3.4
251.06941	4.4
252.07729	4.9
257.08157	3.5
259.07562	1.9
260.08353	3.8
261.09198	13.7
262.06320	2.0
262.09860	3.3
263.07068	8.3
263.10367	2.9
264.07925	1.5
266.09149	3.3
269.08054	3.2
271.06143	1.8
274.06049	2.5
275.07010	1.7
276.07877	3.6
277.08630	13.8
278.09351	8.7
279.06445	4.0
279.09769	2.2
280.07269	2.3
281.11661	14.3
285.07614	28.7
289.08585	8.0
290.09152	1.9
291.06439	2.9
291.09894	2.1
292.07410	2.4
292.10602	1.8
293.08469	2.2
293.11685	11.3
294.08801	4.2
295.09671	4.6
300.09918	28.3
301.10565	6.7
306.08823	3.0
307.09543	5.3
309.11182	23.8
310.11740	2.0
311.09308	1.9
313.10730	5.4
321.11191	23.4
322.12012	4.2
323.09076	3.7
325.14258	2.2
326.11581	11.6
338.11459	2.5
339.12231	1.7
341.13815	22.3
353.13846	38.4
371.14917	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	371.149
Annotation	CHEMBL1689340
Peak:m/z	Relative Intensity
55.05503	12.3
56.05032	5.8
56.96574	11.5
61.02927	4.7
64.52763	3.6
65.03925	4.1
67.05500	12.3
69.03438	4.9
69.07058	13.7
71.08630	4.4
71.56364	3.5
71.56814	6.3
72.08189	5.1
73.02931	7.7
79.05502	12.5
81.03425	10.7
81.07081	20.1
83.08641	7.2
85.02898	5.8
86.09709	4.2
86.88599	3.7
88.23698	4.9
89.88709	4.2
91.05465	18.4
93.07053	14.9
95.04982	8.0
95.08621	15.8
96.36503	4.2
97.02894	8.8
97.06545	6.1
98.97575	15.0
99.04461	5.4
101.06019	4.9
103.05470	4.9
105.07023	12.6
107.04945	18.1
107.08620	11.1
108.08161	3.9
109.02874	7.5
109.06551	8.2
109.10159	13.8
116.98636	4.4
119.04947	4.8
119.08605	11.3
121.06528	12.2
121.10156	6.7
123.04433	24.5
125.05991	6.1
126.05515	5.9
127.03887	4.2
128.06256	8.1
129.05452	4.4
129.07018	5.0
131.04953	7.7
133.10088	7.2
135.04440	10.4
135.11684	4.9
137.05998	75.2
145.06512	4.3
145.10104	6.0
147.04428	16.9
147.06508	5.1
147.08063	18.5
149.06046	5.6
149.09639	5.3
151.03929	7.4
151.07510	6.2
153.05467	60.6
155.08528	12.5
159.07964	4.3
161.06056	15.1
165.05504	6.7
167.07059	13.3
171.08060	8.2
173.06032	4.2
173.25188	4.1
175.07494	5.7
176.04541	4.1
177.05458	9.3
177.09140	3.9
178.40396	3.8
180.99463	3.8
183.07985	8.8
184.51607	3.8
187.07599	4.8
189.09122	41.4
191.39250	4.0
193.04968	6.7
195.08032	5.0
201.09164	11.9
203.07100	13.2
211.07603	7.4
229.08655	16.5
241.84091	3.6
273.12787	9.6
299.09204	8.0
301.11935	14.1
323.31250	4.0
325.14450	24.5
330.19000	4.0
335.13022	5.3
335.25800	10.7
353.09729	8.2
353.13910	100.0
353.18866	15.9
354.14148	5.5
371.14929	45.7
371.19955	25.7
371.24026	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
69.36551	1.1
69.36975	2.8
79.47599	0.5
89.06074	0.7
91.05477	0.7
95.08641	0.5
98.97555	0.5
101.00874	0.6
107.08638	0.6
119.01921	0.6
119.04939	0.5
131.01929	0.6
133.10104	1.5
137.05984	0.9
138.33649	0.4
143.01878	0.8
145.03421	0.5
147.82825	0.5
155.01907	0.5
161.03079	0.5
164.69952	0.4
167.07069	1.0
173.03018	0.5
173.13251	0.6
183.08656	0.6
191.14270	1.1
203.04021	0.6
221.05052	1.3
227.05310	0.7
271.04327	0.8
285.13135	2.3
303.12936	1.2
327.14154	18.5
371.13153	100.0
372.13544	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Glyasperin B
Peak:m/z	Relative Intensity
52.59220	0.3
53.03937	1.0
55.01867	0.6
65.03938	0.4
66.60863	0.3
67.01862	0.5
67.05511	0.5
68.40678	0.3
68.99792	1.2
69.03429	0.5
69.07072	8.7
69.86529	1.7
77.03934	0.6
79.05498	3.7
81.03462	0.3
81.07045	0.6
91.05482	0.9
93.03413	3.3
93.07002	0.4
95.04969	1.2
105.07023	0.8
107.04962	14.5
107.08667	0.3
109.02930	0.3
109.06548	0.6
111.00787	0.4
111.41059	0.3
117.03397	0.3
121.02081	0.3
121.02894	0.9
121.06502	0.9
122.03656	1.2
123.04434	4.5
125.05998	3.4
133.06474	0.6
135.04422	9.3
135.05545	2.6
135.08060	0.5
136.66261	0.3
137.05983	100.0
138.06302	0.8
139.03922	0.9
147.04478	0.5
149.05956	2.3
151.03909	3.3
151.07549	1.3
153.01834	12.4
153.05466	2.7
154.28860	0.3
157.06387	0.3
161.05988	1.5
163.03914	24.3
163.07570	0.8
165.01833	2.6
167.08588	0.6
171.02971	0.4
175.03903	0.7
177.05475	3.5
179.03409	15.8
179.06949	0.4
183.02953	0.3
187.07568	0.5
189.05458	1.8
191.03412	6.3
195.08049	0.5
198.06636	0.4
203.07141	0.4
205.12234	0.4
213.05515	1.2
213.09050	0.4
215.07111	0.4
219.10173	3.9
226.06339	0.5
227.10660	0.6
235.09717	0.4
235.81810	0.3
236.74593	0.3
237.05495	1.0
241.08757	0.3
245.11769	1.0
247.09721	3.7
254.05745	0.6
255.06851	0.4
265.05017	0.8
269.08066	0.8
269.11456	0.4
282.05231	2.0
283.06189	0.4
287.09088	2.3
297.07571	10.3
303.08646	3.1
315.08627	17.4
316.08893	0.5
327.27237	0.3
343.15424	0.9
353.13803	1.2
371.14908	34.7
372.15247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01867	2.2
55.05502	1.1
56.96564	1.2
59.04998	4.2
59.96368	0.9
65.03938	1.0
69.03436	1.0
69.07086	0.9
69.33754	8.5
71.04964	1.4
72.08157	1.0
77.83633	0.8
78.04708	2.2
79.05111	1.2
79.05501	10.1
80.09991	0.9
81.03439	1.0
81.07063	2.4
85.02915	1.4
88.04005	1.4
89.06023	3.5
91.05478	7.4
93.07060	2.0
95.04959	3.0
95.08614	1.3
97.02888	1.0
103.05471	3.8
105.07039	9.3
106.04171	2.2
107.04967	16.9
107.08575	1.4
109.06493	1.6
115.05434	5.1
117.07005	2.7
118.04110	1.4
119.04927	2.2
119.08569	2.9
121.02824	0.9
121.06544	5.8
121.10135	2.2
122.03654	2.0
123.04450	7.6
124.05182	3.5
125.05974	1.5
128.06221	4.6
129.07022	10.3
130.06563	1.0
131.04892	4.5
131.08585	1.5
132.05682	2.5
133.06483	4.3
133.08588	1.5
133.10188	1.5
134.03665	1.1
135.04419	1.5
137.06000	10.4
140.04620	1.6
141.06935	1.7
142.83365	1.0
144.05676	1.7
145.06487	2.8
147.04327	1.4
147.08081	2.5
149.05956	1.7
151.03888	2.7
151.07524	1.6
152.04675	2.4
153.05455	2.9
155.04926	2.1
156.05705	3.5
157.06483	1.8
159.08076	8.8
160.05164	2.1
161.05983	11.7
161.09593	1.3
167.07057	100.0
168.05727	1.3
169.06387	1.2
171.08029	1.7
172.05174	3.9
173.05971	1.4
175.07562	20.9
177.05510	2.3
177.11307	1.1
178.07709	2.6
179.07036	1.3
179.08598	1.4
181.04959	1.0
186.06781	1.2
187.05875	2.1
187.07553	30.1
189.07031	2.1
189.09100	4.9
190.07771	2.4
191.07016	6.8
191.08540	2.1
191.14354	2.4
193.10197	1.5
199.07559	9.3
201.09166	2.8
202.07739	2.7
203.08537	5.5
204.09277	1.5
205.06584	2.1
206.07269	4.7
209.15445	1.3
211.98105	1.1
215.08580	2.6
217.06630	1.4
217.08589	7.7
218.07283	4.7
219.08031	3.9
220.08838	1.7
221.09689	5.1
231.08029	3.0
232.08875	2.2
233.09587	4.0
234.06783	5.0
235.07526	3.5
239.07014	1.5
246.06714	3.4
247.07466	3.4
247.09697	1.9
248.08427	2.3
249.09097	10.0
250.09663	1.6
251.07028	2.7
259.07712	1.3
260.08350	1.4
261.09177	6.4
262.06296	1.5
262.09695	1.5
263.07077	3.4
265.08658	2.2
266.09381	1.7
274.06192	1.3
276.07898	2.0
277.08670	7.4
278.09256	3.2
281.11761	11.2
285.07483	3.6
285.10284	1.1
289.08609	5.0
291.10144	2.1
292.11136	1.1
293.11630	5.1
294.08847	1.9
295.09604	1.6
300.09857	5.7
306.08728	1.9
307.09689	2.0
309.11163	14.8
310.11951	2.0
311.09244	1.5
321.11230	10.5
322.11914	2.5
326.11578	2.8
339.12387	1.7
341.13895	17.5
353.10397	1.2
353.13989	10.7
371.10870	2.0
371.15225	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	371.1129
Annotation	Glycyrrhiza flavonol A
Peak:m/z	Relative Intensity
53.03927	0.7
55.01864	0.5
55.05502	0.4
57.03427	0.4
67.05480	1.1
68.99787	0.5
69.03416	0.7
69.07056	0.6
69.99046	1.3
71.84370	0.2
74.99734	0.3
79.01862	0.5
79.05466	1.3
81.03394	1.2
81.07030	0.9
83.04962	0.4
84.04486	1.0
85.02873	0.8
86.09696	0.4
91.05441	1.7
92.10415	0.3
92.99755	0.8
93.07019	0.9
94.06533	0.7
95.04943	0.4
95.08578	0.8
95.50362	0.3
97.02898	0.7
98.97556	0.6
100.28460	0.3
103.05443	0.3
105.07002	1.1
105.68125	0.3
107.04951	1.2
107.08578	0.6
108.08923	0.3
109.02879	3.3
109.10136	0.4
116.07012	0.3
119.04927	1.1
119.08559	0.6
121.02831	0.8
121.06472	0.3
122.06039	1.8
123.04460	0.5
127.03888	0.9
129.06972	0.4
131.04916	0.5
133.02849	0.3
133.10075	0.5
135.04445	1.4
137.05951	1.0
143.08308	0.3
144.06535	1.7
145.02853	0.3
145.10121	0.5
147.04372	0.4
148.07483	0.3
149.02382	0.6
149.05841	0.4
153.01820	0.7
153.05363	0.3
159.04393	0.9
159.08043	0.4
161.05997	0.7
162.03136	0.3
163.03900	1.3
165.01837	0.6
165.12802	0.3
167.07056	2.7
173.05954	0.7
175.07535	0.8
176.03687	0.4
177.01822	1.1
177.05496	0.4
178.99818	0.8
181.01340	5.4
181.04903	0.3
181.06551	0.3
187.03789	0.3
187.07576	1.0
189.05557	0.4
191.07043	0.7
193.04958	1.0
197.00899	0.4
197.05908	0.4
199.03882	0.3
199.07581	0.3
203.06941	0.3
209.04430	0.3
210.14879	0.5
212.52965	0.4
215.07040	1.1
217.04916	2.4
217.08533	0.5
225.05492	0.4
235.06009	2.5
239.07054	0.6
241.04944	0.7
242.05740	1.0
243.06509	2.3
249.09047	0.4
253.04964	1.0
255.02814	0.5
255.06509	0.7
255.10088	0.9
256.07263	1.3
261.09006	0.4
265.13321	0.4
267.06552	1.1
269.04428	0.6
271.06030	3.5
273.03958	2.6
277.08719	0.4
281.04462	0.4
281.11792	0.5
283.06067	4.7
283.09454	0.8
284.06870	3.0
293.08115	0.6
295.05893	1.8
297.03976	4.5
299.05502	43.9
300.05853	0.6
307.09714	1.6
309.10895	0.5
311.09146	19.4
312.09528	0.4
313.07065	6.0
315.05042	2.3
321.11890	0.5
325.10709	5.3
335.09061	0.5
341.13882	0.6
353.10184	3.9
353.14044	0.6
353.19125	1.0
371.11246	100.0
372.11484	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	371.1128
Annotation	Chaetoxanthone A
Peak:m/z	Relative Intensity
53.03900	0.9
55.01805	2.1
55.05470	1.2
56.96506	1.8
57.03393	0.7
65.03901	1.0
67.05437	2.6
68.99723	3.7
69.03368	0.8
69.07024	1.0
69.81876	3.3
71.10308	0.6
79.05415	1.8
81.03348	0.9
81.07062	7.9
83.08579	0.8
85.02851	1.4
86.81924	0.6
91.05457	3.1
93.06988	1.8
95.04987	3.0
95.08551	1.5
97.02811	0.9
98.09650	0.8
98.20744	0.9
98.97517	1.5
101.05950	0.9
103.05384	0.7
105.03337	0.8
105.06950	2.8
107.04955	4.7
107.08566	1.3
109.02801	2.9
109.06412	2.3
109.10091	1.3
111.04402	1.0
115.05453	0.9
116.98608	0.7
117.06933	1.5
118.96566	0.6
119.04864	1.1
119.08484	1.2
121.02838	1.3
121.06443	0.8
121.10094	0.8
122.06033	1.6
123.04458	5.0
123.08014	1.2
127.03835	1.3
129.05405	1.1
129.06963	1.5
131.04889	0.8
131.08504	1.2
133.06433	1.3
133.10086	0.9
135.04349	2.4
137.02278	0.8
137.05977	5.0
145.06488	3.9
147.04372	0.6
147.07893	0.8
148.05060	1.1
149.02330	1.1
149.06018	3.3
151.03815	2.6
151.07481	0.8
153.01816	0.7
159.04308	0.9
160.05208	0.9
161.02339	3.7
161.05898	1.7
161.43034	0.7
163.03857	1.3
165.01863	4.3
167.03383	1.2
167.07053	3.6
171.08031	0.8
172.05016	0.7
173.06042	1.4
175.03842	1.5
175.07474	2.7
176.04596	2.5
177.01918	3.2
177.05382	2.9
179.03328	1.1
181.10014	0.8
185.05952	1.2
187.03873	0.7
187.07410	1.4
189.05415	2.3
190.06224	1.1
191.03326	2.1
191.06972	1.4
195.06454	1.3
197.06004	1.0
200.04634	2.8
201.05510	6.9
203.03387	4.5
209.09575	1.4
213.05502	0.9
217.08519	1.1
218.07251	0.9
219.06522	15.5
220.07039	0.7
220.48016	0.7
221.04539	0.9
225.05501	0.8
227.03308	1.7
227.10629	1.2
228.04318	0.8
229.04955	3.6
233.09637	1.3
237.09222	1.2
239.07100	1.0
240.07919	0.9
247.07484	0.9
251.07214	0.8
253.04764	0.8
255.10178	4.7
255.14444	0.8
261.09067	1.9
263.07111	0.8
264.07809	0.9
265.08554	4.6
267.06534	2.9
268.07211	2.6
269.08026	0.8
269.11365	0.6
273.12595	2.8
277.08505	1.1
279.10028	1.4
281.04565	1.0
283.06369	0.8
283.09634	12.7
289.08401	0.9
292.07428	1.2
293.08063	1.4
297.11206	1.7
299.05505	21.0
300.06143	0.9
300.09564	0.9
307.09760	2.1
309.81500	0.7
311.09308	1.3
317.08054	1.6
319.05862	1.4
320.06650	1.5
321.07593	2.1
325.10620	1.6
328.08185	0.9
335.09134	9.2
337.07068	3.4
338.07803	2.0
341.14044	0.9
353.10205	100.0
354.10513	2.3
371.11279	96.4
371.21704	2.3
372.11600	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	371.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19676	8.0
59.52703	7.0
69.53107	32.9
69.53522	15.1
73.02908	11.5
85.02910	28.9
85.71762	6.9
88.70579	6.8
97.02917	6.8
98.20782	13.6
127.03932	10.3
136.06133	9.2
136.94040	39.0
137.05968	9.7
145.04990	9.5
168.26462	9.2
175.44666	7.3
200.50281	7.2
206.41931	7.1
281.06921	8.1
371.07196	100.0
371.10886	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	371.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93522	3.2
56.94299	4.2
56.96570	3.4
57.03417	1.6
65.03960	1.4
69.03431	6.2
70.06608	1.6
70.95864	3.1
71.50516	0.9
71.55856	0.9
71.56214	1.3
71.93011	2.6
72.08144	1.3
72.93787	14.7
73.02924	1.2
73.04754	2.9
74.95351	1.9
81.03410	3.1
82.95853	1.6
84.04504	1.5
84.08147	1.5
84.96012	1.7
85.02911	6.9
90.94846	9.0
91.05397	11.4
91.05907	1.7
93.07021	1.4
95.04990	1.2
97.02892	6.4
98.97585	3.8
102.94843	2.7
104.96352	1.4
108.95877	1.9
109.02876	2.5
109.06548	1.3
110.97557	1.4
114.98534	1.1
116.74338	1.1
116.98673	1.8
118.94299	1.5
119.04948	9.3
121.02891	1.4
121.06495	5.1
123.04422	6.3
127.03964	1.9
128.96342	3.8
128.98613	1.9
129.05525	1.8
132.95863	12.7
136.95261	2.2
137.05988	37.1
138.06354	1.6
140.96324	3.1
144.95837	6.6
148.03941	1.3
148.98886	1.3
150.96884	2.6
152.96399	1.1
156.95844	1.9
158.97414	31.6
162.96953	4.1
166.05005	1.6
167.07118	1.4
168.95872	3.8
170.97394	2.7
176.98453	11.1
178.97865	1.2
184.98895	1.2
186.96935	6.5
188.98465	2.8
190.96362	1.4
190.97914	1.7
194.97427	4.4
195.97755	2.3
196.98969	1.4
198.96898	4.2
204.97983	2.0
208.98990	35.7
212.98499	3.9
216.97960	13.9
219.01671	2.3
222.96924	1.9
225.99324	1.4
227.00031	43.4
229.03796	1.1
234.96655	2.5
234.99011	52.5
237.02835	2.8
239.00032	1.4
249.99040	1.3
251.00063	8.5
253.00122	3.7
258.00565	1.7
259.97589	2.5
263.00052	5.3
265.01471	1.4
269.01028	9.9
273.98465	1.3
275.00183	2.2
277.01645	3.4
281.01056	7.2
285.01007	4.3
287.00040	10.2
293.01071	2.9
295.02603	2.7
305.01108	13.2
311.01889	1.3
317.01233	1.3
323.02164	1.7
339.10440	2.1
341.03259	2.1
347.06451	2.2
352.99475	1.9
353.03253	12.4
353.13641	1.8
355.06961	5.3
371.04214	100.0
372.04404	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	370.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.0
56.96557	2.1
57.03432	2.2
60.04535	2.6
61.02919	3.4
62.36615	1.4
62.37616	1.3
64.37274	1.2
69.03430	4.4
69.80732	2.5
69.81145	3.7
70.06590	2.2
72.04521	37.3
72.08172	12.7
80.05013	3.1
84.04512	1.5
84.08125	2.3
85.02916	10.0
86.06020	1.4
91.05475	2.8
93.05792	6.6
94.06596	5.8
97.02884	4.4
98.97589	5.4
99.04465	2.1
103.05431	2.0
106.05058	3.5
106.06558	21.9
107.06075	1.4
110.06060	1.3
110.07186	1.8
116.98592	1.2
118.06551	10.4
120.04491	1.8
120.08111	2.7
124.06922	1.2
127.03927	5.0
130.06532	67.5
132.08092	2.9
136.06213	1.9
136.07567	3.5
137.05959	6.3
138.05516	16.4
144.08080	2.0
145.04977	3.2
147.09207	4.7
148.07588	5.6
150.05525	4.6
150.09132	3.0
151.08659	1.2
154.08607	1.5
155.04686	4.3
156.08066	3.5
158.99667	1.9
160.07683	2.5
164.05217	1.2
164.09479	1.6
165.10257	8.0
167.07376	1.8
168.08104	3.3
173.97295	1.5
177.00722	1.8
180.08044	6.5
181.08916	3.9
182.09665	1.7
191.07349	3.7
192.06549	2.5
192.08118	2.9
193.07404	7.4
193.08945	2.8
194.09705	10.7
195.09171	2.9
196.11227	3.3
197.10701	2.5
201.10121	1.3
204.08148	4.4
205.08919	2.8
206.09737	22.2
207.09142	10.8
208.09686	23.2
209.09200	19.1
209.10982	1.7
217.08850	1.5
218.09738	3.0
219.01825	1.7
219.09230	6.8
220.09778	7.9
221.10742	32.7
222.11514	13.1
223.12317	56.9
224.12775	1.7
233.10706	6.3
234.09433	1.8
234.11592	4.0
235.12308	37.3
237.02806	2.4
239.11743	5.9
242.12930	4.6
243.11443	1.9
247.08537	1.6
247.12363	2.3
249.06326	2.9
249.10205	9.4
249.13919	5.0
253.13388	1.5
254.10532	3.9
255.14897	1.7
259.12387	3.2
261.10397	2.1
267.11307	17.6
268.11993	2.8
268.14566	1.8
275.11621	1.5
276.14972	100.0
276.99954	1.5
277.13324	57.1
278.13113	2.0
285.12424	4.6
286.11929	3.1
287.10196	1.6
292.14490	3.4
293.15479	2.0
294.16019	89.9
295.11359	1.3
295.14294	6.8
299.13965	5.2
312.13467	3.5
320.13998	8.5
321.12402	9.4
324.24054	1.2
326.18625	2.3
338.10760	5.0
338.15002	80.2
339.12851	9.1
370.10373	2.4
370.17700	90.0
371.15982	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	370.165
Annotation	Romucosine D
Peak:m/z	Relative Intensity
56.96499	1.1
58.06498	0.6
67.05421	0.7
69.47668	4.7
81.03354	1.0
82.03630	0.7
85.02827	1.0
91.05364	2.4
93.06927	0.7
103.05399	0.7
103.38177	0.6
105.06953	0.6
108.92722	0.6
119.04811	2.3
120.05185	0.7
137.05867	1.8
143.04828	1.4
147.04312	1.9
148.04703	0.7
149.05835	1.9
151.07442	0.8
151.35130	0.6
161.05875	0.9
162.05460	0.6
167.06998	1.1
173.05957	0.7
175.03824	1.8
175.07480	0.7
176.04112	1.6
179.08438	1.0
194.07202	0.7
197.22925	0.5
201.52667	0.5
203.08359	0.9
205.08719	0.8
206.09605	5.4
207.06464	2.1
207.08138	0.8
208.06808	3.8
209.05904	0.6
213.07735	1.7
217.08624	0.6
220.11147	3.5
224.08360	1.2
226.08612	0.8
231.07899	1.3
234.09172	4.4
235.07541	1.0
235.09737	1.1
236.10527	0.8
236.58923	0.6
237.08981	0.8
238.08548	0.8
248.06831	0.6
248.10701	5.1
249.07596	0.7
250.08611	16.7
261.09082	1.2
262.08600	1.1
263.06906	0.9
263.09454	7.4
264.10196	54.7
265.10977	71.9
266.11346	1.5
276.10223	1.8
277.08389	0.7
278.11755	36.1
279.12387	0.9
280.13300	1.1
280.64835	0.7
289.08466	0.8
296.12878	0.8
306.11282	3.4
308.12857	1.7
310.11328	0.8
338.13879	100.0
339.14160	2.4
352.75061	0.6
353.14099	0.8
370.16525	27.0
370.24606	1.2
371.16693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
71.54688	4.3
85.02901	7.8
85.56499	4.0
136.94075	6.2
137.05984	11.5
147.63852	4.2
154.08670	5.6
181.08894	5.4
193.07425	7.0
201.94850	3.9
208.09709	23.2
212.10779	4.4
224.10828	5.0
279.06595	8.1
306.05179	4.7
324.16214	4.9
370.10526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1287
Annotation	Cathafiline
Peak:m/z	Relative Intensity
55.93541	0.6
56.96575	0.6
69.03412	1.6
70.43244	1.5
72.08150	1.1
73.04735	0.7
79.15641	0.6
81.03410	1.0
84.04499	0.7
85.02895	1.9
91.05470	5.2
97.02882	1.8
98.97575	1.0
101.86171	0.5
103.05478	0.7
106.06530	1.5
107.04981	0.7
115.05493	1.0
119.01918	0.7
127.03853	1.2
130.06519	1.5
137.05960	2.5
143.07289	0.7
144.01917	0.6
156.02092	0.6
156.08047	1.6
165.06984	0.9
166.08643	2.2
167.07149	0.7
174.03151	0.7
177.00879	0.7
178.07765	2.0
179.08563	1.4
180.08115	1.9
182.09604	0.7
190.07764	1.8
191.07092	1.3
191.08707	3.0
192.08078	1.9
193.08694	3.2
193.10330	1.1
194.09665	1.6
194.61414	0.5
194.97385	1.7
202.07768	2.2
203.08539	4.2
204.07924	3.8
205.06921	1.0
205.08861	4.0
206.09650	8.9
207.10420	2.1
208.07498	1.8
211.06265	0.8
212.98444	1.0
214.02527	0.6
218.09671	3.8
219.08046	3.2
219.10431	3.3
220.07658	1.4
220.11212	18.8
221.11870	2.3
222.12749	1.6
224.07127	0.8
224.10757	1.4
226.08672	0.7
230.09584	3.3
231.07977	1.7
231.10153	0.7
232.11232	1.4
233.08202	1.6
234.09143	13.4
235.07629	0.7
235.09914	2.1
235.97250	0.6
237.02560	0.8
237.07780	3.3
238.02637	1.9
246.09102	1.2
247.09935	0.9
248.07063	1.2
248.10712	18.4
249.11450	0.7
250.02689	0.7
250.08586	2.3
250.12285	3.6
251.09450	6.4
252.06543	1.9
252.10075	2.4
253.11044	3.4
254.08130	1.1
255.03426	0.9
256.03690	3.3
258.09122	1.6
259.07349	0.7
261.07849	2.1
262.08575	0.7
263.07050	1.2
264.06583	0.7
264.10095	2.6
266.11758	9.7
268.03766	1.6
272.98468	0.8
274.08676	2.5
275.06940	1.2
276.10239	10.2
276.14978	0.8
278.08075	1.6
279.08853	2.2
285.00757	0.7
290.08054	1.4
292.09702	22.3
294.11243	43.2
310.04636	0.8
338.10233	100.0
339.10599	1.8
342.18036	0.7
370.02957	3.0
370.07059	2.0
370.12802	22.5
388.07883	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.3
55.01875	3.8
55.05515	18.7
56.96560	3.0
57.03443	4.0
57.07070	4.1
59.04997	2.1
67.05508	48.5
69.03420	3.7
69.06731	2.0
69.07073	31.8
70.85542	3.4
71.04994	1.9
71.08634	3.6
79.05499	23.9
81.03423	47.6
81.07062	46.4
83.04988	16.2
83.08612	7.8
85.06567	1.7
91.05479	20.9
93.07043	30.0
95.04977	30.3
95.08620	18.4
97.06528	2.2
97.10142	5.4
98.97586	2.7
99.08107	2.5
105.07035	18.3
107.04943	3.0
107.08602	20.9
109.06502	6.0
109.10158	12.8
111.08073	2.8
111.50581	1.9
115.05515	1.7
117.07034	2.0
119.08584	11.0
121.06498	2.9
121.10145	10.5
121.86345	1.9
123.11708	6.7
125.09610	8.3
129.07059	2.2
130.93329	1.7
131.08585	3.1
133.10135	16.4
135.08072	3.6
135.11667	7.2
147.11688	13.0
149.13280	5.7
151.11186	36.9
153.09108	3.5
157.10162	2.0
159.11739	2.3
161.13242	10.0
163.14787	5.2
165.12743	9.5
171.11732	5.5
172.94374	9.5
177.12778	2.5
177.16464	1.6
179.10631	2.4
179.14307	3.7
189.12775	2.4
190.95413	7.2
193.12213	2.6
207.13765	2.5
208.96463	2.5
214.95442	2.4
217.19594	3.1
231.21074	8.5
232.96393	13.2
241.19537	5.7
241.68846	1.7
249.22116	4.2
250.97566	6.1
255.97917	2.4
259.20596	6.0
261.51434	1.8
262.93939	2.3
267.08694	1.8
277.21640	100.0
278.22098	2.2
304.94998	2.1
332.28546	2.2
351.25308	67.1
352.25519	2.0
369.13831	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01870	3.1
55.05515	11.8
55.89527	1.3
56.96554	2.1
57.03435	4.8
57.07058	2.2
60.17903	1.3
62.01295	1.6
64.33366	1.6
65.94814	1.6
67.05510	38.4
69.07074	13.5
69.65089	4.8
69.65520	4.6
71.08636	37.4
73.02906	1.5
79.05499	39.7
81.03413	4.6
81.07066	44.4
83.04980	4.4
83.08616	6.4
85.02912	2.8
85.06570	2.7
91.05486	23.6
93.07053	52.6
93.07635	2.8
95.04959	8.0
95.08619	30.0
97.06551	7.6
97.07065	1.5
97.10162	4.9
98.97578	2.0
99.08097	27.4
105.07027	14.8
107.04980	4.9
107.08600	27.0
109.06525	3.1
109.10157	14.6
111.08110	2.4
113.09666	2.2
117.07019	4.3
119.08601	12.0
121.06501	3.0
121.10139	22.1
123.11653	3.1
129.06921	2.0
131.08589	6.1
131.28796	1.6
133.10120	9.3
135.11693	26.8
137.09625	2.4
139.11194	1.9
141.09113	4.2
143.08546	2.7
145.10127	3.5
147.11748	6.9
149.13248	11.3
151.11188	12.9
153.12727	2.5
159.11664	3.1
161.13274	10.8
163.11163	5.6
165.12849	2.9
167.10637	2.9
171.11612	2.3
172.94356	6.2
173.11859	1.9
173.13266	2.6
175.14835	2.0
177.12746	3.5
179.14328	100.0
181.12299	1.5
185.13132	2.0
190.95523	2.7
221.15561	1.7
227.12752	1.5
232.96529	4.5
235.16852	2.4
241.19597	2.1
250.97504	3.1
259.20624	5.6
277.21643	54.6
280.95071	1.8
317.17850	2.5
351.25317	60.8
374.89099	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72698	1.8
53.03942	7.6
55.01873	7.0
55.05512	37.8
56.96570	1.8
57.03439	17.5
57.07067	8.1
59.05001	2.5
65.03929	2.6
67.05505	90.0
69.03432	4.7
69.07070	35.6
71.04989	7.4
71.05379	1.8
71.08634	38.6
71.56556	3.5
79.05059	3.9
79.05500	61.5
81.03428	23.6
81.07064	80.0
83.04984	14.1
83.08619	24.5
85.02911	3.2
85.06566	6.0
90.96403	1.9
91.03988	2.0
91.05479	36.8
93.06470	4.2
93.07050	72.5
95.04978	20.8
95.08611	41.8
97.02911	3.4
97.06554	9.9
97.10172	14.2
99.08105	37.5
100.99290	2.1
105.07026	34.1
107.04975	6.5
107.08601	40.8
107.89764	2.5
109.06532	11.0
109.10152	24.5
111.08089	7.2
113.05991	2.1
117.07034	7.8
119.08591	23.1
121.06519	4.8
121.10145	17.5
123.08073	7.6
123.11701	7.5
125.09637	16.5
129.06998	7.4
131.08594	9.2
133.10123	21.9
134.42143	1.9
135.08051	5.6
135.11707	19.0
137.05971	3.6
137.09628	4.6
137.13214	2.0
139.07520	2.7
141.12746	2.2
143.08549	6.1
143.10661	2.9
144.96970	2.1
145.10123	7.3
147.11688	15.5
149.13266	18.3
151.09964	3.2
151.11180	53.3
157.10098	3.7
159.11697	8.8
161.13263	21.9
163.11201	16.9
163.14809	4.5
165.12752	6.8
171.11729	6.5
172.94353	4.3
173.11746	14.6
173.13188	4.2
175.11140	3.2
175.14854	7.2
177.12749	6.1
179.14307	10.7
185.13260	7.2
187.14806	2.6
189.11218	12.1
189.12714	4.4
193.15858	2.5
195.13770	4.7
199.14854	2.9
207.13957	3.0
221.15361	3.7
227.12878	10.2
231.17197	2.4
231.21172	4.1
232.96451	7.0
235.16972	2.2
241.19554	10.9
245.13895	11.0
250.97635	2.8
253.18047	5.5
259.20618	17.4
269.17441	25.0
277.21634	100.0
278.21765	2.2
294.10156	2.3
295.19589	2.1
297.10138	3.5
315.11182	3.2
347.15622	2.1
351.25308	63.3
369.14627	5.0
369.26437	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
53.92535	3.6
55.01863	10.9
55.05268	3.5
55.05513	51.2
56.32861	3.1
56.96557	11.8
57.03428	13.4
57.07073	8.6
58.66461	2.9
58.71405	2.6
65.03938	4.1
67.05510	89.3
67.08284	2.7
69.03413	7.8
69.07076	31.6
70.98283	7.1
71.04990	6.9
71.08637	57.1
79.05499	61.9
81.03414	24.4
81.07060	88.8
83.04972	12.5
83.08626	19.0
85.02899	6.6
85.06535	7.2
91.03974	4.1
91.05475	43.6
93.07050	65.6
95.04955	15.3
95.08611	45.2
97.02882	5.1
97.06509	14.2
97.10191	25.5
98.97563	6.2
99.08095	51.1
105.07031	32.8
107.04954	5.9
107.08605	43.9
109.06523	9.1
109.10152	28.1
111.08073	7.0
113.09675	3.2
117.07008	11.8
118.67590	2.9
119.08604	25.2
121.06540	6.6
121.10154	25.3
123.08134	4.6
123.11710	8.1
125.09652	19.6
129.06999	5.1
130.93268	4.6
131.08563	7.2
133.10153	19.0
135.08084	6.3
135.11685	21.4
137.05911	4.2
137.09628	5.1
137.13245	5.8
143.08644	6.3
145.10120	11.8
147.11678	17.3
149.09647	5.2
149.13228	15.1
151.11182	70.9
157.10124	4.2
159.11679	8.0
161.13281	23.4
163.11205	24.0
163.14769	4.5
165.12791	8.5
171.11687	8.2
172.94357	15.8
173.11737	21.0
173.13231	7.5
175.11220	3.8
175.14879	5.2
177.12793	3.8
179.14345	18.2
185.13193	5.0
189.11238	24.4
190.95439	23.7
195.13843	7.4
208.96425	9.7
214.95248	5.8
226.22487	3.4
227.12740	23.6
229.07535	4.0
231.21201	4.2
232.96402	31.9
241.19562	12.7
245.13905	19.8
250.97501	19.3
253.18060	15.5
255.98061	3.7
259.20572	13.4
262.93927	6.3
269.17477	14.0
277.21646	100.0
280.94925	4.0
295.22672	8.1
322.96042	6.4
339.18173	3.3
347.15366	4.7
349.16818	4.6
351.18445	3.5
351.25308	70.7
369.13779	4.5
369.26675	21.2
369.30316	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	369.2172
Annotation	Vincorine
Peak:m/z	Relative Intensity
55.17320	0.6
57.30516	0.5
59.88231	0.6
70.06565	0.7
71.08628	2.0
72.08157	0.7
72.70097	0.6
79.05462	0.9
80.05011	1.4
84.04490	0.6
86.09692	0.8
91.05474	1.8
91.94488	0.6
93.05798	3.5
94.06552	1.3
106.06574	7.7
107.07354	1.4
108.08118	1.9
118.06563	0.7
119.04980	0.8
120.08121	1.8
122.06031	0.7
130.06537	21.4
136.07574	2.2
150.12801	0.9
151.07561	0.8
156.08089	1.1
163.13573	0.8
164.07065	1.0
164.14429	1.1
167.07352	1.2
167.17024	0.6
168.08076	1.7
170.09656	0.7
175.07533	0.7
176.14320	1.0
180.08102	4.1
181.08910	0.9
182.09715	1.2
184.79379	0.6
190.15904	0.9
191.07297	1.8
193.08884	2.2
194.09677	3.9
195.09143	1.1
196.11217	2.2
202.90926	0.6
204.08076	2.0
205.08908	1.5
206.09740	8.9
207.06430	0.8
207.09113	3.7
208.09613	1.3
208.11555	4.4
209.10654	0.8
212.10609	1.1
220.09755	0.8
221.08681	0.5
221.10738	16.4
222.11528	8.2
223.12318	27.4
224.12860	0.6
235.12325	2.2
236.13152	0.8
237.13928	1.7
239.11787	2.2
241.17067	5.0
249.10107	0.7
253.13341	2.5
254.10606	3.0
254.14171	2.0
263.15411	0.9
265.17017	0.9
267.11349	10.4
267.18600	1.4
268.11951	1.3
277.17068	1.9
278.17758	2.3
285.12228	3.2
291.18533	2.0
293.20132	40.6
294.20618	1.4
311.17419	1.0
319.18036	1.4
325.22757	6.2
337.19177	9.0
338.19748	2.7
369.21747	100.0
370.22162	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	368.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
53.68881	0.5
55.01863	2.5
55.05266	1.2
55.05515	16.5
56.04977	0.6
56.96561	0.9
57.03425	2.6
58.06596	3.8
58.69102	0.7
59.05002	0.6
60.04530	16.8
65.03935	0.8
65.04308	0.6
67.05508	12.0
68.05019	1.5
69.03449	3.9
69.06723	0.8
69.07072	9.7
69.77896	1.4
69.78298	1.6
70.06590	1.7
71.01342	0.7
71.05001	7.5
72.04516	1.4
79.05499	13.0
80.05020	1.1
81.03419	1.5
81.07057	10.3
82.06568	0.7
83.04971	2.0
83.08621	8.8
84.08152	6.3
85.06539	3.0
85.29475	0.6
86.09711	23.5
88.07643	2.7
91.05489	6.2
93.05772	1.0
93.07052	12.1
94.06578	1.9
95.04973	5.1
95.08619	5.6
96.08131	3.5
97.06542	3.0
97.10179	15.7
99.08139	0.6
99.63133	0.6
100.07613	2.1
105.07036	4.7
106.06580	0.8
107.04948	2.4
107.08597	7.9
108.08126	1.4
109.02879	0.7
109.06521	4.2
109.10178	2.5
110.06063	1.7
110.09710	1.0
111.08096	1.6
112.06832	1.1
112.07608	22.1
113.06002	2.1
114.09180	1.1
117.07010	3.1
118.06542	0.6
119.08576	4.0
121.06519	1.6
121.10138	6.4
122.09663	5.8
123.08056	3.2
124.07590	0.7
125.09634	12.5
128.10719	21.9
129.07002	0.8
130.08618	1.7
131.08575	2.9
133.10114	1.2
134.09613	1.0
135.08057	3.3
135.11720	3.1
136.11195	1.6
137.09657	1.1
138.09079	0.9
138.12770	3.9
141.07025	0.6
143.08542	1.4
145.06503	1.5
145.10100	1.6
146.09654	0.7
147.08011	1.3
147.10500	0.8
147.11670	0.9
148.11191	1.6
149.09610	0.9
149.13284	1.0
153.09146	0.7
154.08643	7.2
156.10260	1.3
157.10078	1.4
159.08122	0.9
159.11710	1.8
161.09567	1.1
162.90445	0.6
163.11215	0.7
169.10185	0.9
171.10204	1.1
172.09709	9.8
172.94362	0.8
180.13858	12.3
187.11154	1.1
189.11240	8.8
195.13776	0.8
205.12335	1.1
212.18085	0.7
217.15889	1.3
221.15378	2.8
223.13322	4.8
241.14403	0.7
255.17426	1.0
272.20169	1.2
273.18552	4.2
280.22812	0.7
290.21130	9.3
291.19495	6.2
308.22171	10.0
332.22299	1.3
350.23254	18.2
368.24344	100.0
369.18500	0.7
369.24759	1.4
378.80777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2844
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
55.01859	1.1
55.05261	1.0
55.05514	11.6
57.03418	1.5
57.07079	4.0
67.05170	1.2
67.05508	12.6
69.03428	1.4
69.07073	16.8
71.04981	1.5
71.08633	12.5
72.08147	3.3
78.87769	0.7
79.05499	5.8
81.07062	17.6
83.04983	2.0
83.08617	8.0
85.06551	2.3
85.10175	0.8
89.06026	1.1
91.05488	5.6
93.07053	9.1
95.04961	0.7
95.08609	16.8
97.06528	2.5
97.10174	3.0
99.04461	0.9
99.08094	9.7
105.07035	4.8
107.08597	12.1
109.06504	5.5
109.10171	7.6
111.04445	1.8
111.08105	2.0
117.07018	1.0
117.39616	0.8
118.99159	0.7
119.08591	5.7
121.06512	1.7
121.10144	5.9
123.08077	23.3
123.11716	3.5
125.06002	2.2
125.09657	1.3
131.08582	2.5
133.10138	8.8
135.08041	4.7
135.11685	4.6
136.08885	0.7
137.09605	2.0
137.13246	2.0
139.07532	1.4
139.11169	1.1
145.10135	2.4
147.11682	3.2
149.09625	2.2
149.13264	2.6
151.11203	1.1
151.14835	0.9
153.12741	4.3
159.11720	1.5
161.13185	1.8
163.11136	1.1
163.14844	1.4
165.12793	1.7
167.14247	1.3
173.13266	1.6
175.14841	1.5
177.12822	1.2
179.14328	29.7
181.12228	1.0
181.15799	0.7
189.16400	1.9
191.14310	2.3
193.15857	1.5
195.13751	0.8
205.15747	0.8
223.20731	0.9
223.74185	0.7
229.06972	0.9
233.19057	1.0
251.20068	10.8
271.04926	0.8
275.20099	1.9
283.06094	1.3
293.21115	10.2
293.28360	3.9
303.26831	11.9
313.25308	1.3
321.27795	4.2
331.26318	40.3
332.26825	0.9
349.27386	100.0
350.27676	2.7
367.24359	1.3
367.28452	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	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01875	2.5
55.05510	22.3
57.07068	7.7
59.04997	3.1
65.03945	3.9
67.05505	43.7
69.03431	6.7
69.07069	21.7
71.04987	7.1
71.56360	1.4
71.56799	2.6
79.05049	3.1
79.05491	34.3
81.07063	50.0
81.67173	2.1
83.04970	7.0
83.08624	10.1
85.06530	2.8
91.05485	52.8
93.07049	77.1
95.04976	32.6
95.08605	52.9
97.06541	14.8
103.05487	4.5
105.07033	93.4
107.04974	2.6
107.08595	64.0
109.06503	15.5
109.09458	3.1
109.10162	40.3
111.08102	3.5
115.05453	6.3
116.06232	4.1
117.07026	17.8
117.81145	1.7
119.04920	2.4
119.08585	100.0
120.09322	1.9
121.06499	12.1
121.10149	55.2
123.08067	6.4
123.11714	13.7
128.06223	9.1
129.07022	14.5
130.07777	10.1
131.07584	3.7
131.08565	57.5
132.09332	3.3
133.06453	2.0
133.10130	57.7
134.10838	1.9
135.08067	19.3
135.11703	21.6
137.09610	6.1
139.11142	2.7
141.07007	7.6
142.07788	21.3
143.08565	45.7
143.28766	1.8
144.09332	12.4
145.06555	2.6
145.10132	62.9
146.07295	7.1
147.08023	11.1
147.11693	22.6
149.09648	17.0
149.13266	3.7
153.07002	4.4
155.08569	13.0
156.09319	15.0
157.10136	51.8
158.10898	6.1
159.08066	7.1
159.11697	40.3
161.09639	41.1
161.13220	10.1
163.11162	6.0
165.06992	3.8
167.08566	5.2
168.09320	4.6
169.10141	21.8
170.10896	6.3
171.11679	26.4
171.53355	1.9
172.12459	3.1
173.09605	7.4
173.13266	25.9
175.11229	8.1
175.14828	18.0
177.12747	3.2
179.08527	8.1
180.09341	3.6
181.10120	9.6
182.10927	5.6
183.11696	23.0
184.12474	4.9
185.09634	4.3
185.13249	12.0
186.14038	2.7
187.11235	2.2
187.14777	14.5
189.12798	2.7
191.14345	2.2
192.09152	2.2
193.10165	3.6
194.10951	6.0
195.11723	13.8
196.12500	4.0
197.13242	16.1
198.10493	2.1
198.14006	2.3
199.11096	2.1
199.14804	12.2
200.05255	2.1
201.12735	7.2
201.16434	9.0
205.15918	3.5
207.11729	3.5
209.13260	23.3
210.14005	3.0
211.11232	2.0
211.14798	11.5
211.71303	1.7
213.12752	7.2
213.16333	4.7
215.14287	4.0
217.15823	2.9
221.13252	4.2
223.14838	5.7
225.16356	4.6
227.14311	23.2
227.17938	3.6
229.15923	3.6
235.14780	3.0
237.16443	3.8
239.17911	9.0
241.15862	2.4
241.19566	3.2
247.14796	2.0
249.16481	2.0
251.17876	3.6
253.19611	3.5
255.17435	4.8
257.18964	2.5
261.16422	3.0
265.19678	3.7
266.20261	2.0
267.17566	3.2
269.19061	3.6
283.06015	3.1
293.18832	3.3
331.24078	2.6
349.25046	8.7
367.22351	2.3
367.26404	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03945	2.3
53.30955	1.2
53.83883	1.1
54.36451	1.3
55.01865	5.6
55.05517	11.8
56.96566	2.7
57.03432	3.4
57.07082	2.7
58.29659	1.0
60.45014	1.2
65.22121	1.3
67.05511	24.5
69.03422	2.6
69.07074	15.6
69.53760	4.9
69.54182	2.9
71.05016	2.0
75.04504	1.3
79.05502	21.2
81.03404	2.3
81.07063	27.1
83.04997	7.6
83.08621	4.5
85.02913	1.9
85.06544	2.0
91.05488	18.1
93.07044	29.2
95.04974	7.9
95.08611	17.6
97.06541	4.4
97.10181	3.2
98.21493	1.6
99.08109	1.9
100.28670	1.3
105.07036	29.6
107.04969	5.8
107.08601	17.6
109.06528	10.5
109.10149	7.4
111.08073	2.6
117.07025	9.5
119.08588	13.9
119.77631	1.3
121.02862	1.3
121.06509	10.8
121.10167	11.5
123.08091	5.9
123.11678	1.5
125.09618	1.6
129.07018	3.3
130.07785	1.2
131.08574	19.1
133.06512	4.4
133.10129	16.5
135.08058	5.6
135.11731	6.3
137.05946	2.1
141.06999	2.0
143.08591	2.5
143.26210	1.2
145.06441	2.4
145.10135	14.2
147.08060	3.3
147.11696	12.0
149.09647	4.8
149.13275	3.7
151.11192	4.7
155.08553	1.5
157.10121	3.2
158.81174	1.2
159.08118	2.9
159.11684	7.0
161.09641	3.7
161.13287	2.7
163.11273	6.8
166.71065	1.1
169.10118	2.4
171.11734	2.8
173.09648	2.6
173.13252	5.0
175.11148	2.3
175.14784	1.7
177.12743	3.1
183.11722	2.6
187.11244	2.6
187.14905	1.6
191.14319	2.2
197.13268	2.4
201.12727	2.9
205.19568	1.3
207.13858	3.9
215.14320	1.7
215.17897	1.7
219.13881	2.3
229.19522	2.5
239.17909	3.5
247.20636	3.9
255.75862	1.3
257.19058	14.6
275.20078	100.0
276.20560	2.1
283.06131	4.4
293.21115	10.1
342.42169	1.2
349.23743	52.5
367.17865	2.6
367.24820	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70879	1.8
53.03942	6.0
55.01875	35.7
55.05516	45.0
55.05782	2.9
56.96577	2.2
57.03439	9.2
57.07078	2.2
61.02920	3.2
65.03948	1.9
67.05509	60.4
67.45074	1.8
69.03415	4.9
69.07074	24.0
69.81069	3.4
69.81483	7.7
71.04996	6.2
72.83186	1.6
73.02911	2.2
76.39301	1.5
79.05499	88.3
80.05779	1.8
81.03402	2.7
81.07062	57.4
83.04987	28.4
83.08630	15.6
85.02902	2.4
91.03946	2.0
91.05485	53.7
93.06475	2.6
93.07052	52.6
95.04973	8.5
95.08617	24.9
97.02915	3.1
97.06542	48.8
97.10165	14.9
99.08091	4.1
103.05436	2.0
105.07035	55.3
107.04964	37.9
107.08602	54.8
109.06508	9.2
109.10149	23.1
111.08088	5.1
115.05499	1.8
116.06202	2.2
117.07031	15.6
118.07846	1.9
119.08586	42.1
121.06513	4.5
121.10161	20.4
123.08109	2.4
123.11703	6.3
125.09653	20.1
129.07001	4.1
131.08580	23.2
133.06526	2.6
133.10135	38.5
135.08063	8.5
135.11705	10.1
137.09586	4.3
139.07536	2.7
143.08580	5.2
145.10123	14.8
147.11691	22.2
149.09625	67.2
149.13261	5.1
151.11186	3.2
153.09116	4.5
155.08517	3.3
157.10101	2.2
159.11714	12.2
161.13255	6.5
163.11168	7.4
163.14812	4.0
169.10115	3.4
169.12228	4.4
171.10197	3.8
171.11705	4.2
173.11880	3.4
173.13272	10.2
175.11238	2.4
177.12662	3.5
179.14313	5.0
183.11777	3.1
185.13156	2.7
187.11287	3.8
187.13263	3.3
187.14795	2.5
189.05460	2.1
189.11238	13.8
191.14320	4.7
197.13297	1.8
209.15401	7.9
227.12769	5.6
229.19531	9.9
239.17961	3.6
245.13908	7.4
247.20607	5.6
257.18970	19.4
275.20068	100.0
283.05984	4.6
293.21109	2.4
349.23740	79.5
350.23932	2.0
367.25031	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34803	1.3
53.03943	5.4
55.01874	7.5
55.05516	19.8
56.96558	2.5
57.03440	19.6
57.07072	2.1
59.05006	15.4
65.03931	2.6
67.05508	57.0
69.03429	3.8
69.07069	35.1
69.07387	0.7
69.07452	1.2
69.32220	10.9
71.00499	1.2
71.04986	4.1
79.05495	46.4
81.03412	4.6
81.07059	100.0
83.05002	7.8
83.08618	13.9
85.02895	1.6
85.06544	4.6
91.05482	36.4
93.07050	39.6
95.04971	9.9
95.08607	46.2
97.06530	15.5
97.10171	4.7
98.97575	1.6
99.08088	4.3
105.07030	37.9
107.04977	7.6
107.08591	29.9
109.06506	12.6
109.10149	16.4
111.04496	1.4
111.08114	7.2
117.07020	11.4
117.09138	5.6
119.08585	30.3
121.06501	5.3
121.10142	17.2
123.08080	9.2
123.11701	9.3
125.09641	2.8
129.06993	4.0
131.08551	16.7
133.10129	24.8
135.08060	5.7
135.11711	11.5
137.02361	1.4
137.05940	3.0
137.09610	5.3
140.61508	1.4
141.06978	2.0
143.08546	2.6
144.09254	1.5
145.10120	18.6
147.08063	3.0
147.11687	23.7
149.09613	11.3
149.13283	6.8
151.07436	1.6
151.11177	4.4
155.08528	2.2
157.10135	5.3
159.11688	13.1
161.09538	2.9
161.13286	4.3
163.11139	6.3
165.01868	2.5
165.09088	1.9
165.12770	6.2
169.10144	2.2
171.10268	1.9
171.11717	4.6
173.11856	1.8
173.13176	6.8
175.11255	4.1
175.14696	1.5
177.12755	5.1
179.14514	1.8
183.11681	1.4
187.11125	1.8
187.14827	1.6
189.11179	2.4
189.12733	2.6
191.14294	2.0
193.12196	1.8
195.13776	3.3
197.13231	1.7
201.12776	2.7
206.93352	1.6
207.17235	1.3
211.14722	1.5
215.17932	2.9
217.15895	1.6
223.48029	1.3
229.19641	3.2
239.18005	5.1
247.20631	5.2
257.19043	14.1
269.17456	2.7
275.20059	69.2
281.13470	2.7
283.06003	13.5
293.21176	8.5
331.22723	1.5
349.19791	1.9
349.23642	17.8
367.11694	5.8
367.20801	39.0
367.24835	56.2
368.25070	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61427	1.4
53.03938	6.7
55.01872	19.7
55.05259	2.6
55.05514	31.3
56.96581	4.0
57.03437	18.0
57.07072	2.7
65.03923	3.1
65.68586	1.7
67.05508	61.5
69.03432	7.5
69.07074	30.8
70.08838	3.6
71.04981	5.7
79.05498	53.6
81.03416	5.2
81.07063	100.0
83.04980	11.1
83.08619	13.7
85.02862	2.1
85.06528	5.5
91.05486	50.4
93.06470	3.4
93.07047	47.3
95.04974	9.8
95.08611	41.6
97.06537	23.5
97.10155	8.0
98.20815	2.0
98.80189	1.6
99.08103	3.8
105.07042	57.6
107.04955	14.6
107.07884	2.2
107.08602	41.9
109.06530	12.3
109.10146	21.1
111.08083	4.6
113.06129	1.7
115.07711	1.5
117.07028	14.1
119.08585	37.5
121.06539	6.1
121.10155	22.1
123.08050	8.0
123.11727	9.7
125.09608	8.7
129.06995	6.5
130.84564	1.5
131.08588	25.3
133.06471	2.5
133.10135	44.1
135.08064	9.2
135.11700	12.3
137.09630	5.9
138.17966	1.5
141.07047	2.0
143.08575	3.2
145.06549	1.7
145.10123	24.7
147.08081	1.9
147.11691	25.3
149.09637	20.9
149.13271	6.6
151.11177	7.4
155.08582	3.7
157.10086	5.1
159.11714	13.0
161.13274	7.1
163.11177	10.8
163.14729	1.5
165.12788	5.3
169.10120	3.5
171.10298	2.1
171.11682	4.5
173.11877	2.2
173.13246	9.1
175.11305	2.3
175.14783	3.1
177.12683	3.5
179.14301	1.8
183.11716	3.3
187.11203	2.1
187.14876	3.2
189.11240	6.9
195.13841	3.0
197.13237	5.2
215.18144	1.9
217.16090	2.2
227.12755	3.6
229.07552	2.6
229.19485	5.8
239.17938	5.3
245.13756	2.8
247.20668	8.3
253.14203	2.9
253.17992	1.8
257.19141	12.0
269.17468	7.1
275.20071	97.2
278.73428	1.7
283.05850	2.1
285.10239	2.0
285.17062	2.1
289.54935	1.8
293.21115	7.2
323.98999	1.7
349.16977	3.3
349.23721	34.9
349.27618	3.1
367.18048	2.9
367.24756	41.2
368.25128	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03993	2.2
53.03929	3.9
55.01870	15.9
55.05510	28.5
56.29361	1.9
57.03438	22.3
58.89965	1.8
63.72900	1.8
67.05505	69.6
69.03422	5.5
69.07068	33.0
71.04977	3.3
71.08627	2.2
71.24764	4.0
79.05064	3.4
79.05495	56.0
81.03390	3.8
81.07056	100.0
83.04999	10.7
83.08616	17.6
85.06518	2.9
91.05482	48.4
93.07040	51.8
95.04979	12.6
95.08049	3.2
95.08608	44.0
97.06527	22.4
97.10175	11.2
99.08079	4.6
105.07034	50.5
107.04962	16.0
107.08595	36.6
109.06521	12.3
109.10170	21.6
111.08064	6.7
115.05453	4.4
117.07017	13.6
119.08580	37.3
121.06485	6.7
121.10165	21.5
123.08060	9.8
123.11678	8.9
125.09647	10.1
129.06970	5.4
131.08572	18.0
133.10123	29.7
135.08058	7.1
135.11665	11.4
137.09576	7.6
141.06955	2.4
143.08553	5.3
145.10156	22.2
147.07996	2.5
147.11679	22.7
149.09621	20.7
149.13239	9.0
151.11148	4.3
153.12759	2.5
157.10103	6.6
159.11671	15.0
160.14522	2.2
161.13237	5.3
163.11211	12.7
163.14801	3.2
165.12703	3.9
169.10182	2.5
171.10129	7.1
171.11604	3.7
173.13261	7.7
175.11174	4.8
175.14711	2.7
177.12778	5.0
179.14235	2.3
187.14729	3.3
189.11127	7.0
189.12721	2.1
213.16426	2.0
227.12706	6.5
229.19496	6.6
233.18958	2.5
239.17958	6.2
245.13881	2.9
247.20633	8.6
251.20108	2.7
253.17897	2.7
255.15955	2.2
257.19016	13.1
267.15768	2.3
269.17447	6.8
275.20065	83.6
283.06088	4.4
293.21094	8.5
349.23697	40.3
367.24808	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	367.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05503	1.4
56.96568	21.8
57.03433	0.4
67.05515	2.2
69.03410	0.5
69.07076	2.3
71.56528	0.8
71.95266	3.4
72.96042	1.5
79.05512	3.8
81.07062	9.0
83.08612	0.8
84.96026	1.3
91.05470	2.3
93.07031	1.7
95.08597	1.5
97.02857	0.6
97.06532	1.4
97.10180	0.6
97.96808	1.3
98.97590	1.9
105.00161	0.7
105.07003	0.8
107.08592	1.9
109.10160	0.9
110.97562	3.4
115.00675	0.5
116.98629	0.7
119.08561	1.1
121.10151	0.5
123.01205	0.6
128.98611	3.9
131.00151	0.8
133.10117	0.8
135.11711	0.7
137.02745	0.7
137.05975	1.6
139.00728	0.5
141.02228	1.1
143.00127	0.7
145.10123	0.8
146.99690	1.2
147.03296	0.7
149.01186	0.5
149.09583	0.5
149.13263	0.6
151.00696	0.6
153.02258	0.9
155.03862	1.0
158.99718	0.6
159.03314	0.5
159.11668	0.6
161.01167	0.6
161.13161	0.5
165.01938	0.7
167.03793	0.8
169.01715	0.8
169.05336	0.6
170.17421	0.4
171.03271	1.3
173.04906	0.9
179.07208	0.5
181.05310	0.6
183.03227	1.0
183.06906	0.4
185.04878	2.0
187.06409	1.1
189.04311	1.0
191.05827	0.5
195.06897	1.6
197.04915	0.6
199.02698	0.5
199.06400	4.1
201.04475	0.5
203.05879	1.5
205.07536	1.3
207.06923	0.9
211.06425	1.4
213.04604	0.5
213.08003	9.4
217.07495	3.7
217.10480	4.5
221.08528	0.7
221.11052	0.6
223.02769	0.9
223.08408	0.8
225.07921	3.4
227.05984	0.7
229.07439	6.0
231.09038	10.3
236.09654	0.7
237.04309	0.9
237.07942	2.0
239.05719	0.7
239.09525	3.8
241.07361	0.6
241.11093	3.9
242.08177	1.0
243.09001	3.0
245.10497	0.6
247.08635	3.7
251.09531	6.3
253.07437	0.5
253.11121	1.3
255.09053	6.4
257.10526	2.5
259.12170	3.9
261.10184	0.9
264.12543	0.6
267.08932	1.1
269.10626	29.9
273.10120	2.8
275.20044	1.0
279.09076	1.9
280.09805	1.8
283.06018	3.8
287.11652	10.6
292.12244	3.0
297.10132	2.5
298.10986	1.0
302.10580	0.5
310.13229	0.8
313.14780	1.3
315.11136	1.6
331.15793	9.3
349.16882	13.8
367.17892	100.0
368.18253	2.0
372.18481	1.3
385.19016	7.9
390.19302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82853	0.6
55.01871	1.0
55.05493	0.9
56.96561	1.8
57.03433	1.5
58.06590	2.6
61.02923	1.2
69.03437	3.9
70.06258	0.8
70.06601	6.5
71.01345	0.7
71.04915	0.7
71.34801	1.3
72.08166	1.0
73.02923	1.1
81.03414	1.6
83.05012	0.7
84.08139	1.6
85.02911	12.7
88.11269	2.2
91.05471	1.3
97.02895	3.4
98.97574	1.8
99.04462	0.9
103.03931	1.3
109.02898	2.0
110.07206	0.7
116.98595	1.1
117.05750	1.1
117.07034	0.8
118.06555	13.4
120.08112	3.1
121.02866	2.6
127.03905	2.0
127.08693	3.3
129.06975	1.3
130.06532	5.9
132.08078	5.9
133.06087	1.4
137.05934	1.4
139.03896	1.9
142.06516	1.8
143.07300	4.2
144.08092	14.2
145.06551	0.7
145.07607	2.1
146.06020	50.4
146.99767	0.6
147.04443	1.3
147.48282	0.6
149.05933	0.8
150.46306	0.8
152.07123	0.7
154.06572	0.9
155.08163	1.5
156.08078	8.5
158.06001	1.1
158.09636	1.2
159.09189	3.7
160.07614	4.4
165.05429	1.3
167.07164	2.3
168.08118	3.5
169.07579	0.9
170.06013	6.2
171.06693	0.9
174.09059	1.1
181.20905	0.8
182.06017	0.9
183.06796	1.2
183.09213	0.9
184.07611	4.9
185.08417	0.8
186.09120	1.2
188.07074	100.0
189.04001	1.0
189.07425	1.2
201.05090	0.6
201.10329	0.9
202.08708	3.3
205.09738	44.0
207.11325	1.5
208.11394	0.7
210.09209	0.8
212.07114	1.2
213.12334	1.8
215.08388	0.8
217.09737	1.1
219.87607	0.7
226.08815	0.7
228.06509	0.7
229.09741	2.8
230.08138	30.2
247.10791	11.2
258.11240	2.2
260.09058	0.9
271.57486	0.7
276.12305	1.3
283.10864	1.2
297.61459	0.7
307.04709	1.0
313.11691	0.9
331.12903	2.8
332.11197	4.2
349.13907	2.6
350.12350	12.9
367.10321	3.1
367.15042	7.5
367.19104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37402	1.1
53.03949	4.8
55.01875	6.8
55.05504	3.2
57.03439	5.6
61.02926	5.9
67.05493	1.3
68.99789	3.2
69.03435	36.6
69.72042	1.3
69.72454	3.9
70.95889	0.8
71.05006	5.2
73.02927	6.4
73.69312	0.9
81.02989	1.5
81.03427	22.0
81.07052	1.6
83.01332	1.0
83.08627	1.3
85.02912	100.0
87.00838	42.3
91.03938	1.2
91.05486	2.2
93.07030	1.2
97.02901	26.5
99.04457	10.9
105.01876	60.4
105.15370	0.9
108.04501	2.7
109.02891	24.4
111.08055	2.4
115.03976	1.4
117.01867	3.0
121.06506	1.6
127.03929	66.7
129.01839	3.1
129.03104	0.8
135.08067	1.0
136.06206	6.2
141.09140	1.4
145.04970	32.6
147.02922	2.4
148.57890	0.9
159.02913	12.4
164.07169	1.0
189.03973	2.8
191.10782	1.3
192.40508	0.8
209.11754	2.8
213.03996	2.0
231.05028	20.0
248.07518	1.3
249.06126	5.5
269.13959	1.4
278.95926	1.0
295.11783	5.8
304.18149	2.9
304.92838	0.9
313.12961	2.0
356.83676	0.9
358.58191	0.9
366.21759	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	366.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52755	0.7
57.96779	0.7
69.05189	0.6
70.36703	2.5
70.37049	0.7
72.52091	0.7
86.82739	0.8
98.97604	1.6
106.99194	0.9
107.51238	0.8
119.01903	1.7
173.51494	0.9
177.00972	4.6
180.96776	1.1
198.97852	1.0
201.00963	1.1
216.98959	3.3
219.02051	9.5
222.97961	2.2
225.01117	0.9
234.99994	7.2
240.98921	8.5
243.02029	2.4
259.00018	29.1
260.00024	1.3
261.00317	1.0
261.03076	20.9
262.03210	0.9
263.02829	0.7
264.98956	3.4
273.98636	1.5
277.01099	16.2
283.00009	74.1
284.00070	2.8
301.01074	100.0
302.01215	4.2
303.01187	1.2
319.02158	3.6
324.02692	1.6
325.01031	12.4
343.02145	60.4
344.02298	1.6
352.60394	1.1
361.03229	17.4
363.01004	1.4
366.03839	2.0
385.03018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2477
Annotation	Quinestrol
Peak:m/z	Relative Intensity
55.05504	11.4
57.03427	4.2
57.07073	5.2
59.04986	3.7
61.86068	2.4
65.16305	2.4
67.05506	22.2
69.03433	4.0
69.07059	9.0
69.94810	11.8
71.05010	3.0
79.05485	19.7
81.07053	20.3
83.04967	2.4
83.08627	4.9
85.06546	5.3
91.05479	36.2
93.07040	40.9
95.04984	25.1
95.08611	19.2
95.40227	2.5
97.06525	4.9
97.10192	3.1
105.07036	46.9
107.04968	2.6
107.08581	28.3
109.06524	7.0
109.10150	16.3
115.05434	4.3
117.07037	17.8
119.08590	40.2
121.06541	5.2
121.10153	27.0
123.08083	5.9
123.11718	2.7
128.06268	4.4
129.06999	7.0
130.07832	3.8
131.08578	39.6
133.10106	16.9
135.08060	9.1
135.11668	3.8
137.09587	3.5
141.06990	3.5
142.07750	13.4
143.08553	30.1
144.09351	6.2
145.10133	34.8
147.08025	7.8
147.11716	13.1
149.09630	7.0
149.13284	4.5
155.08522	13.9
156.09344	11.2
157.10139	29.0
158.10912	9.0
159.08025	4.2
159.11725	15.5
161.09621	12.5
161.13283	4.8
165.07027	5.6
167.08575	6.5
168.09344	7.0
169.10130	20.1
170.10919	7.4
171.11679	17.2
173.09729	5.6
173.13249	41.5
175.11238	5.7
179.08582	7.9
181.10143	11.3
182.10994	4.6
183.11694	25.8
184.12537	2.7
185.09555	3.9
185.13316	12.0
187.11211	5.2
189.05652	3.3
189.12791	4.1
191.08473	2.9
191.14293	34.0
191.15845	3.5
192.09349	4.0
193.10207	12.7
194.10959	7.3
195.11746	17.9
197.13235	10.6
199.14847	8.5
201.12784	10.4
203.14226	3.8
205.10158	5.1
206.10884	3.6
207.11703	16.4
208.12457	7.0
209.13278	11.8
210.14023	4.3
211.11121	4.9
211.14923	12.2
213.12837	6.9
216.15085	5.7
217.16008	4.1
219.11699	6.6
221.13307	14.7
222.14069	4.0
223.14896	9.5
225.12717	4.7
225.16278	2.7
227.14302	2.6
229.15868	4.5
231.11833	3.7
233.13290	8.4
235.14833	7.6
237.16380	5.4
239.14470	2.7
239.17796	2.9
247.14806	8.3
249.16353	12.8
251.18007	4.9
253.15735	3.7
261.16302	3.3
263.18015	10.8
264.18713	4.4
265.15955	4.9
265.19431	3.1
267.17358	9.3
268.53751	2.6
269.19046	3.2
273.16260	5.0
277.19452	2.7
281.19116	7.8
291.17386	5.4
297.18808	4.2
319.24222	4.0
329.22641	4.5
337.25244	2.9
347.23691	27.2
365.24774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31705	0.9
59.30340	0.8
70.03831	3.9
70.04173	0.8
98.21445	1.2
131.01892	1.0
143.01881	2.6
145.03424	1.0
152.20259	0.8
155.01884	1.0
166.82414	0.9
171.55315	0.8
185.04247	20.8
197.03038	1.1
203.05278	44.4
245.05095	4.8
252.40208	0.8
365.10822	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95095	0.5
69.90195	2.0
70.39117	0.6
75.32787	0.5
98.97578	0.9
101.00880	1.7
103.02495	0.6
119.01935	1.6
127.02441	1.8
133.03473	1.2
143.01917	1.2
145.03496	3.1
159.05067	0.7
161.02968	1.0
167.18092	0.5
169.03493	0.6
171.05080	2.4
173.03032	1.1
174.70061	0.6
185.03058	0.9
185.04247	17.6
189.06013	0.8
191.04016	1.2
197.02950	1.0
203.05287	40.0
207.01637	0.6
215.04074	1.0
217.05579	1.8
221.43951	0.6
245.05113	2.1
259.06641	0.8
261.04587	0.6
318.73056	0.6
347.04608	1.3
365.10590	100.0
366.10684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34993	0.5
54.21207	0.5
55.01861	1.7
55.05497	2.1
56.96567	3.1
57.03426	2.2
57.07047	0.8
61.02920	1.4
63.68715	0.5
64.95294	0.5
67.05505	4.4
69.03418	1.1
69.07081	3.0
69.07402	0.7
70.08640	2.2
73.02905	0.9
79.05479	3.8
81.03421	1.2
81.07060	4.7
83.05000	0.8
83.08598	1.0
85.02899	2.4
85.06522	1.1
91.03948	1.6
91.05495	4.0
93.07061	3.7
95.04974	2.8
95.08600	2.4
97.02906	1.5
97.06503	1.0
98.21618	0.6
98.97581	2.4
99.04474	0.6
100.99073	0.6
105.07036	2.7
107.04961	1.1
107.08584	1.9
108.07073	0.5
109.06521	2.3
109.10137	0.7
110.97608	0.7
111.04453	0.8
111.08033	0.9
113.06018	2.1
116.98620	1.2
117.07050	1.2
119.08598	2.1
121.06477	1.2
121.10104	1.1
123.08076	0.8
123.11735	0.6
129.07048	0.7
131.08557	1.9
133.06427	0.7
133.10147	1.7
135.08037	2.6
135.11711	0.8
137.06041	1.6
143.08658	0.7
145.10103	1.1
147.08026	0.6
149.09641	1.0
157.10252	1.0
158.99648	0.7
159.08026	0.8
159.11752	0.7
164.07100	0.7
170.99796	0.7
176.07367	0.6
177.00623	0.7
189.05458	1.3
217.15836	0.6
255.09059	2.4
255.17540	0.6
267.09103	0.9
267.14493	2.1
273.18567	1.9
277.21680	0.6
284.12759	2.0
285.10089	1.0
285.15536	1.3
291.19550	3.1
305.97702	0.6
326.15521	0.7
333.19162	0.6
347.21478	0.9
347.25687	1.0
347.29739	0.6
349.16537	1.4
365.15839	2.9
365.23001	100.0
366.23401	1.8
383.17990	0.7
383.22705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83015	1.3
53.03938	2.5
55.01883	7.3
55.05265	1.8
55.05513	30.4
57.03436	10.8
57.07070	1.5
59.05008	1.8
61.02910	1.1
62.94125	1.1
64.25712	1.1
67.05508	35.5
69.03128	1.3
69.03438	13.6
69.07072	35.3
69.80428	4.9
71.04991	2.1
72.93797	1.2
73.02893	1.8
75.96931	1.3
79.05063	1.8
79.05498	30.1
81.03430	7.1
81.07060	21.4
83.04980	6.9
83.08624	10.0
89.07786	1.1
91.05486	15.6
93.07047	16.0
95.04996	7.7
95.08623	10.9
97.02896	20.0
97.06539	4.1
97.10179	18.8
105.07038	11.5
107.04959	7.7
107.08601	14.9
109.06521	3.9
109.10163	11.7
109.14345	1.3
111.04495	1.2
111.08083	2.8
117.07008	5.7
119.08597	12.3
121.06515	3.1
121.10128	5.7
123.08064	5.1
125.09646	11.9
129.07016	3.3
131.08546	6.4
131.46674	1.4
133.10124	5.2
135.08089	5.8
135.11719	2.8
137.05988	3.4
137.09627	4.3
143.08582	2.6
145.10126	4.3
147.08041	4.2
147.11655	2.7
149.09625	2.0
149.13272	1.9
153.09128	2.0
153.12816	1.5
157.10196	2.2
159.11691	3.1
161.09633	2.7
161.13284	2.0
163.11142	1.6
165.09099	2.8
171.10197	1.3
173.11684	1.1
175.11124	2.2
177.12770	2.1
185.13263	1.7
189.11256	8.1
195.13812	2.6
205.12254	2.1
221.36075	1.1
223.13303	33.0
227.12823	1.9
245.19142	1.6
255.17332	1.9
261.18536	1.3
263.20056	1.5
273.18488	14.1
291.19556	100.0
292.20059	1.5
300.39404	1.3
315.94894	1.1
324.99985	1.1
347.13184	1.3
347.22171	1.6
365.23242	54.6
366.23541	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3211
Annotation	Terminaline
Peak:m/z	Relative Intensity
53.03943	2.4
55.05518	17.1
56.96571	1.0
57.03457	1.5
57.07075	1.7
59.72432	0.9
60.08167	2.3
61.95094	1.0
65.03940	2.3
67.05508	43.9
69.07071	21.0
69.61980	1.1
70.93620	1.1
71.04982	1.3
71.56075	1.8
76.53116	1.1
79.05497	25.2
81.03419	1.4
81.06582	1.8
81.07063	36.9
83.05018	1.2
83.08617	5.2
86.09698	1.8
91.05482	11.7
92.80972	1.0
93.07049	33.7
95.04948	3.3
95.08617	22.9
97.10164	1.9
99.04449	3.2
105.07056	7.5
107.07882	1.3
107.08602	18.2
109.06547	1.7
109.10159	9.2
113.06056	1.4
119.08598	5.1
121.06495	1.2
121.10142	10.7
123.11707	2.3
131.08492	1.7
133.10120	3.7
135.08098	1.3
135.11697	5.8
135.97485	1.1
141.07037	1.0
145.10193	1.3
147.11717	2.0
149.13234	2.4
157.10184	1.3
176.07129	3.7
198.58656	1.0
219.71605	1.2
302.17474	1.5
305.24762	56.1
364.32132	100.0
365.10928	1.1
365.32593	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	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.6
59.83917	0.7
61.88493	0.9
69.03431	0.9
70.31889	3.0
73.30071	0.8
74.06075	0.7
77.23043	0.7
85.02934	1.5
97.02901	1.3
98.97600	2.7
101.00886	5.0
110.97607	0.8
113.00893	1.3
116.98661	0.8
119.01953	4.4
127.02433	1.5
130.06548	2.0
131.01921	4.6
133.03503	0.8
137.01941	1.2
143.01898	4.9
145.03464	4.5
155.01968	2.6
157.03519	1.5
159.01466	0.7
161.02995	3.6
164.69592	0.7
166.08574	0.9
167.01939	1.7
171.05016	1.6
173.02974	6.0
177.02495	1.3
179.01903	0.9
185.02924	4.1
185.04291	19.9
188.97256	0.8
189.00734	1.5
191.04065	1.3
197.03049	2.5
203.04001	1.4
203.05321	38.3
215.03925	1.4
219.13445	1.1
227.00478	1.1
227.04147	2.4
230.98155	1.1
233.05226	1.0
245.05077	12.6
263.01025	1.1
263.06219	3.6
275.05997	0.9
305.03659	2.1
365.10672	100.0
366.11163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.5
57.03419	0.4
58.46299	0.3
67.05458	0.9
69.03397	0.6
69.07023	0.7
69.45367	0.7
69.45768	1.6
79.05507	1.5
81.03369	1.4
81.07011	0.9
83.04926	0.5
83.08566	0.3
85.02850	1.1
87.00800	0.5
91.05428	1.4
93.06993	0.9
95.04956	0.4
95.08543	0.5
97.02892	0.5
97.06541	7.0
105.01823	0.4
105.07006	0.7
107.04940	0.3
107.08582	0.6
109.02834	0.4
114.61192	0.4
116.10674	1.0
117.46165	0.3
119.08550	0.7
120.06353	0.3
127.03882	0.4
131.08545	0.8
133.06444	0.4
133.10100	0.4
134.69661	0.3
135.04340	0.4
137.05991	3.0
145.06456	0.5
146.06033	0.4
147.04344	0.6
147.06802	7.4
147.07979	0.3
149.05965	0.5
149.09650	0.4
152.05644	0.3
159.08005	0.8
160.11194	0.8
161.05927	1.3
161.08205	0.4
162.05486	0.7
163.06264	0.5
163.07494	0.4
164.07062	1.1
169.10179	0.3
172.11118	0.4
173.05911	0.8
173.09656	0.6
174.09169	0.5
175.07561	0.5
175.11211	0.5
176.07098	2.4
176.10706	5.0
177.07846	5.5
177.09297	0.6
177.11365	0.6
185.09630	1.0
187.07512	1.2
188.10640	0.8
189.09125	0.9
190.08658	0.4
193.12250	0.6
199.07503	0.8
201.09193	0.4
201.11313	0.3
202.12277	2.7
204.10240	3.4
205.10995	2.0
206.11829	1.8
211.13287	1.2
214.08768	0.4
216.10138	1.0
229.10979	1.3
230.15399	1.6
241.12190	0.5
258.14917	2.4
260.12842	1.1
273.13617	15.0
285.14905	0.4
291.14783	0.6
302.17511	100.0
303.18134	1.9
311.16476	0.5
320.18634	5.4
329.17474	1.7
346.20135	11.8
347.18527	1.9
364.21210	31.6
365.21454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	4.2
57.04873	1.0
59.61292	0.8
64.20255	0.7
69.07069	1.9
70.06593	1.1
70.34045	1.1
70.34422	1.3
71.04989	1.1
72.04517	17.8
76.65132	0.7
79.05486	1.1
81.07040	1.0
84.08163	0.9
84.10604	0.7
87.56725	0.8
97.06533	7.2
98.97594	0.9
105.07009	0.8
124.37817	0.8
136.06149	5.4
136.07602	1.7
137.05966	1.3
147.06775	7.3
147.07899	1.1
149.05984	0.8
151.11681	0.7
154.71968	0.8
160.11302	0.9
163.07419	0.9
164.07095	2.7
165.07008	2.3
171.08064	0.8
172.56264	0.8
174.67540	0.8
176.07130	2.1
176.10732	4.5
177.07858	8.7
177.09076	0.8
178.07802	1.4
181.06497	2.1
183.08105	2.1
185.09703	1.4
188.10858	0.8
189.09119	1.0
192.03323	4.0
193.06543	1.6
194.07326	2.1
195.08055	5.1
196.08888	1.6
197.09685	1.4
199.07501	1.3
201.08936	0.9
202.12344	3.0
204.10205	3.9
205.06535	2.1
205.10922	1.6
206.11806	1.4
207.08112	2.7
208.08900	2.6
209.09601	5.2
210.04576	1.7
210.06815	1.5
210.10524	4.9
211.07541	4.3
221.06004	1.4
221.09669	2.3
222.06744	1.7
223.07524	9.4
224.08408	1.8
224.10669	0.8
225.09171	4.3
226.09935	4.2
227.07152	1.5
229.10941	1.6
230.15514	2.4
236.08369	3.3
237.09105	9.8
238.09900	22.5
239.07117	3.7
239.10628	1.7
241.12285	8.3
242.09447	1.4
242.11763	1.0
246.99692	0.8
251.10672	4.5
252.11476	9.6
253.08635	3.1
254.09404	17.9
255.10057	1.7
256.13345	1.8
258.14963	4.2
260.12842	1.8
268.10910	16.0
268.13406	2.2
269.11710	19.1
273.13565	15.8
283.13300	25.0
284.12903	1.3
285.14828	1.0
286.14471	2.2
291.14703	2.7
296.12808	11.0
302.17505	100.0
303.17929	0.8
314.13950	1.7
318.17184	0.9
320.18564	30.8
322.06088	3.4
346.16473	2.1
346.20142	14.1
364.21222	50.4
365.21741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1757
Annotation	Longaninine
Peak:m/z	Relative Intensity
55.01880	0.6
58.06582	0.9
60.04520	2.7
66.34811	0.6
70.06577	1.6
70.87733	0.7
70.88065	1.4
78.82973	0.6
79.05486	1.0
81.07059	0.8
99.82353	0.7
113.29866	0.6
116.07150	0.9
137.05972	1.0
150.06772	1.0
151.07515	1.2
163.43907	0.6
164.07137	0.9
165.07028	1.5
165.09131	2.4
165.53850	0.7
175.07677	1.0
177.06958	0.8
178.07770	1.1
179.08488	1.1
181.06514	1.3
183.08067	0.9
185.09569	0.7
188.08347	0.7
190.08763	1.4
194.07310	1.1
195.08084	3.7
196.08864	0.8
197.05890	0.9
197.09671	1.1
199.07558	0.8
201.09172	0.8
202.08723	1.1
204.10182	1.0
205.06592	0.8
205.11024	1.9
207.08093	1.9
208.08899	1.9
209.09695	4.4
210.06931	0.9
210.10582	3.1
211.07516	2.9
212.08377	2.0
213.09113	1.4
214.08566	1.0
215.10651	0.9
216.10255	1.2
218.11826	1.7
220.08885	2.0
221.06059	1.1
221.09694	1.9
222.06821	1.1
222.10434	1.4
223.07523	5.2
224.08452	1.6
224.10550	1.0
225.09195	4.9
225.11266	1.2
226.09979	3.7
227.10774	3.7
229.10976	4.7
230.11795	1.3
232.09711	1.2
235.07573	0.8
236.08380	2.6
237.09177	9.1
237.11398	1.0
238.09940	18.9
239.07031	2.1
239.10646	4.5
240.10065	1.3
240.11707	1.0
241.08601	2.7
241.12267	2.8
242.11800	2.8
244.09651	0.7
246.11212	1.5
248.08408	1.1
251.10651	8.0
252.11476	20.6
253.08701	3.3
253.12173	2.1
254.09363	6.8
254.11835	4.3
255.10112	4.1
255.12593	5.2
256.10861	2.6
256.13345	4.6
258.14896	6.2
260.12848	1.0
265.08554	1.2
266.09308	3.5
267.10077	0.9
268.10922	6.3
268.13397	3.5
269.11725	19.8
270.12479	6.0
270.14944	1.4
271.12360	0.7
272.12839	1.5
273.13669	5.6
279.10120	1.6
280.10904	2.3
282.08832	1.4
283.13300	27.6
284.13675	0.7
284.16489	4.5
287.15167	2.1
296.12906	2.3
297.11023	3.1
302.17511	37.6
311.12726	0.8
314.13947	9.4
315.12238	1.3
320.18613	5.0
328.15540	1.2
329.13708	1.0
346.16406	6.4
346.20175	10.3
346.25891	1.8
364.17514	100.0
364.21329	20.1
365.17783	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	364.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98594	0.5
63.89710	0.4
68.77205	0.5
69.59544	2.8
71.20286	0.4
77.84147	0.4
84.08133	0.6
96.08150	1.0
104.31838	0.5
105.07034	0.8
137.05986	0.7
150.06705	0.5
151.07533	1.0
153.10185	0.6
164.07056	1.7
165.09091	1.2
166.07782	0.5
167.08560	0.7
168.12589	1.6
174.06763	0.5
177.09149	0.6
179.08524	0.9
181.06445	0.5
183.08142	1.0
185.09828	0.6
188.08330	1.1
189.09169	0.7
190.08609	0.8
194.07248	1.1
195.08092	3.4
197.05962	0.6
197.76633	0.4
198.09012	0.7
199.09962	0.4
200.10657	0.9
201.09215	0.6
208.08879	0.7
209.09760	2.4
210.10544	5.5
211.07576	1.4
214.08377	0.7
214.10251	0.5
215.10864	0.9
218.08400	0.4
218.11772	0.8
223.07620	1.0
224.06854	1.2
224.08643	1.0
225.09154	1.0
226.10066	3.5
229.08810	0.7
229.11052	1.7
230.11858	1.6
231.10190	1.1
236.08142	0.7
237.09209	0.7
238.09875	1.3
239.10658	1.8
241.08528	0.5
241.12355	4.3
242.09439	0.5
242.11766	9.7
244.09705	0.5
246.11339	0.9
251.10725	1.3
252.07832	1.1
252.10223	0.6
254.09529	1.1
254.11765	0.7
255.10162	1.0
256.09610	2.3
256.13348	6.5
258.11279	2.3
260.12924	2.6
262.10764	1.3
264.10248	0.5
269.11707	1.3
270.11194	0.7
271.12036	10.2
272.12845	6.9
273.13608	5.2
274.14307	0.9
280.09857	0.7
288.12421	1.1
296.12695	1.1
298.14557	0.6
302.17413	0.9
316.15335	0.7
346.16574	3.5
347.16595	0.7
364.17569	100.0
365.17896	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	364.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10799	0.3
56.96557	1.0
57.08741	0.4
57.81784	0.4
58.06586	1.7
60.04518	0.7
61.02900	0.6
63.05751	0.3
65.03994	0.3
69.03415	1.4
69.18488	2.6
69.18907	1.3
70.06589	1.2
79.05514	0.4
81.03423	0.5
84.04507	0.5
85.02906	2.6
86.09720	0.7
88.04006	0.4
88.15933	0.4
91.05474	0.9
93.67810	0.4
97.02884	0.8
98.97571	1.3
100.02239	0.5
107.04939	1.0
109.02885	0.4
110.97591	0.4
116.01667	0.5
116.07109	0.5
127.03922	0.8
128.18698	0.4
133.02806	0.5
135.04420	1.5
137.05968	0.8
153.06996	1.5
155.08569	0.8
164.07120	0.5
165.06998	4.1
167.07112	3.2
167.08498	0.8
169.06500	1.0
173.05954	0.8
174.05515	0.7
175.03992	0.6
181.06544	2.8
183.08076	1.1
184.13277	0.4
185.05968	1.1
185.08080	1.5
193.06491	4.9
195.08081	1.1
197.05991	1.2
199.07523	0.9
202.14403	0.6
209.06036	2.2
209.07811	0.5
210.06895	0.5
211.07799	2.0
212.07007	0.7
213.05586	0.6
213.09183	0.8
214.08719	0.4
219.01753	0.5
220.73831	0.4
221.06094	0.5
223.07552	3.3
224.07108	1.5
225.05470	1.8
226.08633	0.5
227.07043	0.8
230.08279	0.5
233.27080	0.4
237.02756	1.1
238.08508	2.1
239.07062	1.5
241.08549	1.3
242.08102	9.0
243.08728	0.5
251.07140	0.7
252.06612	2.1
253.07205	0.8
254.08046	1.3
256.09753	4.0
257.07916	0.6
265.08685	0.6
268.09653	0.5
270.07639	0.4
271.08417	10.9
272.06165	0.7
272.09158	13.0
273.09933	8.9
296.09537	0.6
316.11560	0.7
330.27856	0.5
332.14731	0.5
346.12888	0.9
346.16754	0.6
359.06729	0.6
364.13889	100.0
365.05618	0.7
365.14377	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	364.1753
Annotation	Longaninine
Peak:m/z	Relative Intensity
59.96185	0.4
61.80963	0.3
69.43880	2.7
78.06661	0.4
100.01543	0.4
104.26434	0.4
134.93616	0.4
137.05952	0.6
150.06834	0.5
151.07475	1.0
165.06920	0.5
165.09099	0.6
166.07811	0.7
167.08527	0.6
167.45358	0.4
179.08565	1.9
181.06410	0.5
183.08159	0.8
188.08348	1.0
189.09109	0.4
190.08693	0.5
194.07246	1.8
195.08073	4.5
196.08856	0.7
197.09639	0.6
201.09117	0.5
207.08029	0.6
208.08846	1.1
209.09610	3.1
210.10443	14.3
211.07599	2.3
214.08659	0.7
218.76723	0.4
223.07539	0.6
224.06798	0.8
224.08464	1.2
224.10304	0.5
225.05409	0.5
225.09081	1.6
226.06343	0.5
226.10008	5.8
227.09195	0.5
227.10982	0.5
228.10262	1.0
229.08670	0.5
229.10951	0.9
230.11774	1.4
231.10324	0.5
234.09071	0.5
236.08253	1.1
237.09085	0.9
238.09868	1.5
239.10529	1.0
240.07906	0.7
240.11555	0.6
241.08562	1.1
241.12263	6.8
242.11745	5.9
245.10463	1.1
246.11284	1.6
246.55963	0.4
251.10687	2.3
252.07799	1.0
252.10182	0.8
254.09488	3.0
254.11703	0.6
255.10181	0.6
256.09784	1.2
256.13312	3.3
258.11362	1.2
260.12848	3.5
262.10910	2.2
264.10272	0.7
269.11710	2.3
271.11984	6.6
272.12781	4.6
273.13528	2.7
280.09756	1.4
281.10361	0.7
286.14627	0.5
288.12289	0.8
296.12820	2.3
300.15891	0.6
314.14117	0.6
346.16559	1.6
356.85638	0.4
364.17535	100.0
365.18100	2.0
385.52420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1393
Annotation	(+)-16-Hydroxy-9-O-demethylgalwesine
Peak:m/z	Relative Intensity
55.05504	0.5
56.96563	0.8
57.03434	0.5
58.06590	1.3
58.62666	0.4
60.04523	0.6
66.39236	0.4
67.05495	0.4
68.05015	0.4
69.03420	1.1
69.70623	0.9
69.71043	1.0
70.06587	0.8
72.04530	0.4
76.72999	0.3
80.17598	0.4
81.03425	0.7
84.04507	0.8
84.08144	0.4
85.02906	1.7
86.09685	0.4
88.03989	0.4
91.05473	1.1
91.58398	0.3
95.04978	0.4
97.02837	0.7
98.20841	0.6
98.97583	0.6
102.18437	0.3
106.56016	0.3
107.04977	0.7
107.59442	0.4
109.06534	0.5
110.11167	0.3
115.05458	0.4
116.07113	0.7
116.34708	0.3
119.04951	0.7
120.08122	0.4
121.06493	0.9
127.03894	0.4
132.01561	0.3
133.02818	0.4
135.04420	0.6
136.07600	0.6
137.05981	2.6
139.05356	0.4
142.06554	0.5
144.08183	0.4
145.04898	0.4
147.04433	0.5
149.05981	0.3
151.07578	1.9
152.06168	0.7
153.06999	1.6
155.08611	0.5
157.06462	0.4
163.03848	0.4
164.07097	3.3
165.07011	6.5
167.07127	0.5
168.12555	0.8
169.06482	0.5
170.05965	0.6
173.05916	0.6
174.05505	1.0
175.07529	0.6
180.07930	0.4
181.06506	2.7
183.08020	0.9
184.07536	0.7
185.05940	0.8
188.07007	0.6
192.08208	0.7
193.06494	7.3
195.08090	1.1
196.07588	0.6
196.64769	0.4
197.06000	0.9
198.05450	1.7
199.07605	0.9
200.07086	0.4
201.05534	0.4
208.07532	0.6
209.06012	3.4
210.06796	1.3
211.07883	1.8
212.07050	1.3
213.05568	0.4
213.09187	0.7
219.01691	0.4
220.07594	1.1
221.05988	0.8
222.06841	4.0
223.07584	4.1
224.06903	2.8
225.05473	1.4
225.07417	0.5
226.06429	0.7
226.08504	0.8
227.09352	0.9
228.06549	1.6
228.13814	0.4
230.08170	1.0
237.09293	0.4
238.08484	3.0
239.07077	1.5
240.10153	0.5
241.08615	0.8
242.08142	13.1
242.11819	0.8
244.05927	0.5
246.07716	0.4
250.08665	2.1
251.07066	1.3
251.10675	0.4
252.06502	3.8
253.07140	0.4
253.08563	0.4
253.11047	0.7
254.08147	1.4
254.11847	0.4
255.06541	0.5
255.10132	0.5
256.09714	4.1
256.12189	0.5
256.13266	0.3
257.08133	0.5
260.09280	1.7
262.07083	2.7
268.09744	0.4
268.13458	0.7
270.11276	1.0
271.08423	11.9
272.09195	10.1
273.09937	6.7
279.09036	0.8
280.09668	0.6
296.09326	0.7
296.12701	1.2
300.12405	0.5
304.81396	0.4
311.12830	0.6
311.75369	0.4
314.13791	0.5
316.11682	0.5
328.15381	0.9
329.13815	0.6
346.12738	1.0
346.16492	3.5
364.13846	100.0
364.17603	16.0
365.05270	0.5
365.14215	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	0.6
53.52485	0.5
55.05507	1.7
57.03446	1.3
57.07077	100.0
59.05003	34.2
69.07062	1.9
71.05969	1.0
71.08632	94.0
77.53072	0.6
81.07031	1.0
83.08636	2.6
85.10184	89.5
86.10526	1.0
89.06032	21.0
97.10171	1.0
99.11735	9.9
101.09650	0.8
103.07596	1.4
107.07098	4.4
107.08604	0.6
111.11697	0.7
117.09138	9.8
125.13299	0.7
127.62840	0.6
130.08649	1.1
133.08595	2.4
141.16391	5.0
147.10184	3.6
150.20583	0.7
151.09634	2.5
159.44550	0.6
165.11214	2.4
187.91957	0.5
195.12334	1.3
197.54440	0.6
199.20551	7.3
205.14337	1.0
209.13794	1.3
209.16917	0.5
227.85648	0.7
228.12311	0.6
229.07439	0.8
240.23117	0.7
257.24780	3.2
257.74661	0.6
316.05600	0.6
363.30627	1.7
370.77438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97167	0.2
53.03939	0.3
55.01872	0.3
55.05506	0.7
56.96573	0.4
57.03429	0.5
67.05489	0.7
69.07031	0.3
69.36147	0.6
69.36549	1.9
79.05473	0.5
81.03403	0.7
81.07043	0.5
85.02897	0.4
90.96716	0.3
91.05496	1.3
93.07050	0.4
95.83627	0.3
97.06504	0.5
98.97565	0.5
105.07030	0.6
107.04910	0.3
109.02879	1.3
115.05450	0.9
117.05770	0.5
117.07024	1.9
118.06547	25.9
119.08571	0.6
122.06005	0.5
127.03880	0.4
130.06555	0.3
131.08473	0.5
132.08075	2.6
133.08885	1.4
133.10173	0.3
134.09631	0.6
137.05956	0.5
142.06505	1.7
143.07300	2.2
144.04541	0.4
144.08095	10.8
146.06012	46.0
146.09659	1.8
147.06351	0.4
147.10425	0.4
148.70110	0.3
157.10068	0.3
160.07532	0.7
167.07071	0.3
170.06007	3.1
176.14351	100.0
177.14708	1.1
179.67798	0.3
188.07068	28.3
216.13870	0.9
234.14929	1.8
245.23215	0.3
289.18002	0.5
342.14447	0.3
363.20673	29.5
364.20938	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46870	0.6
55.05522	3.8
55.78570	0.6
57.03420	0.6
57.07077	3.0
57.16670	0.6
67.05508	5.5
69.06732	0.8
69.07072	10.1
69.20145	0.7
69.64788	3.4
71.04990	1.4
71.08620	2.3
72.08139	0.6
79.05495	3.5
81.07056	9.7
83.04997	1.0
83.08625	3.4
89.06012	1.6
91.05463	2.6
93.07050	5.5
95.08619	8.0
97.06517	2.5
97.10168	1.1
99.08112	0.8
105.07047	2.9
107.08613	5.2
109.06528	7.2
109.10164	3.5
111.08068	2.0
115.16879	0.6
119.08601	4.0
121.10174	4.1
122.07262	0.9
123.08079	50.1
123.11692	2.3
125.09624	0.8
133.08614	0.8
133.10136	3.7
135.08072	3.7
135.11711	2.3
137.09605	3.3
137.13217	0.9
147.11652	2.0
149.09645	1.0
149.13258	2.5
151.09813	0.7
151.11147	1.3
159.11687	1.2
161.13243	1.2
165.12807	0.6
167.14133	0.7
179.14325	19.2
183.78334	0.6
275.20013	1.2
295.22726	0.9
303.26837	1.3
307.22714	6.1
331.26331	4.3
363.28940	100.0
364.29181	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	363.163
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
53.03935	0.5
53.85857	0.5
55.01863	0.6
55.94451	0.4
56.05027	0.5
56.96550	1.2
57.03423	1.0
58.06604	4.3
59.06934	0.7
61.00228	0.4
62.55164	0.4
65.21689	0.4
69.03425	1.3
69.07056	0.4
69.45114	3.1
70.06589	2.0
72.08167	2.0
75.59811	0.4
76.02235	0.8
79.05472	0.6
81.03411	0.9
83.04985	0.6
84.04494	0.9
84.08152	2.9
85.02898	2.8
86.09686	0.8
87.04434	0.4
91.05478	1.7
93.07061	0.4
95.04948	0.6
97.02871	1.4
97.06552	0.4
98.97578	1.2
99.04447	0.4
103.05526	0.4
109.02877	0.8
109.06495	0.4
110.97537	0.5
111.04430	0.5
116.98611	0.8
119.04998	0.5
121.06490	2.2
122.02779	0.5
123.04411	0.7
127.03931	0.9
129.10260	0.7
130.06584	0.6
137.05992	2.5
145.05002	0.4
147.04414	1.8
151.07549	1.2
153.07103	0.5
163.03883	0.4
164.07086	0.7
165.09106	0.9
166.09427	0.6
175.07541	0.6
183.08080	0.5
193.06425	1.0
201.10965	6.0
211.07649	0.8
219.01782	0.5
220.98918	0.4
223.07449	0.6
223.12163	0.4
237.02713	0.9
239.07140	0.5
247.06963	0.4
268.09558	0.6
269.10046	0.5
271.08438	0.6
298.14297	0.4
303.14133	1.9
331.14246	0.5
345.15021	0.6
357.08374	0.5
363.16260	100.0
364.13382	4.1
364.18008	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	362.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59974	2.0
57.03441	4.5
57.07080	100.0
59.05013	19.1
61.80351	1.9
69.07079	3.9
71.08638	63.2
72.08165	3.8
75.04494	5.1
81.07069	2.2
85.10190	56.5
97.06548	5.2
99.11751	13.3
113.13284	3.2
115.07581	33.3
117.09122	2.8
133.08586	2.5
142.62926	1.9
155.17970	7.7
167.04213	1.9
208.77287	1.8
213.22215	8.1
271.26358	4.3
345.29953	2.8
362.19846	3.3
362.30493	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	362.1962
Annotation	Robustamine cis-N-oxide
Peak:m/z	Relative Intensity
51.22213	0.2
57.33032	0.2
59.17187	0.2
64.54843	0.2
69.20732	1.6
75.04457	0.2
78.05893	0.2
79.05471	0.3
89.90125	0.2
98.20803	0.5
118.08953	0.2
121.12173	0.2
148.07571	0.4
148.56116	0.3
159.57736	0.2
165.09093	0.2
176.07088	0.4
177.07838	0.4
192.10194	1.8
200.10773	0.5
210.09146	0.3
212.10756	0.2
214.08627	0.6
223.09972	0.5
224.10687	0.3
226.08702	0.4
228.10216	0.8
229.10802	1.2
230.11819	0.5
232.13422	0.4
236.10812	0.5
238.12328	0.3
240.10182	1.1
242.11780	2.6
243.12479	0.5
244.09857	1.0
244.13181	0.6
246.11253	0.5
246.72501	0.2
249.11469	0.4
252.10414	0.3
254.11832	1.2
255.12531	0.9
256.09586	0.6
256.13330	6.4
257.10431	0.4
258.11322	0.5
259.11963	0.4
260.12915	1.5
264.10263	1.2
265.10779	0.2
266.11768	0.4
267.12491	0.3
268.13364	0.7
270.11151	1.2
270.14877	0.9
271.12088	0.9
272.12839	3.6
274.14243	0.3
280.13391	1.3
281.11658	0.3
282.11243	0.6
282.14960	0.6
284.12949	0.3
286.11227	0.3
286.14377	4.3
287.15082	0.7
298.14526	1.4
299.06641	0.2
302.13962	0.4
304.15341	0.2
312.15811	0.3
314.13992	0.6
316.15424	1.5
318.17023	1.3
330.17020	5.2
332.14969	0.5
332.18692	1.2
333.15594	0.5
344.18387	0.5
346.16483	5.4
347.17294	1.9
362.19623	100.0
363.19797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1961
Annotation	Robustamine cis-N-oxide
Peak:m/z	Relative Intensity
55.25110	0.1
59.04985	0.1
64.51479	0.1
64.53710	0.1
67.68494	0.1
68.36243	0.1
69.47738	0.1
70.20111	0.4
75.04462	0.3
79.05476	0.3
93.41231	0.1
100.29376	0.1
100.79788	0.1
111.08072	0.2
121.77153	0.1
125.53589	0.1
136.42393	0.1
139.07561	0.3
148.07581	0.1
150.06696	0.2
153.09184	0.2
160.72874	0.1
165.09125	0.4
176.07059	0.6
177.07811	0.2
185.08315	0.2
186.09164	0.1
190.08578	0.3
192.10187	2.1
200.10652	0.4
202.08707	0.1
209.08257	0.1
210.09003	0.3
212.10703	0.4
213.07811	0.3
213.11549	0.2
214.08597	0.6
215.09421	0.2
216.10190	0.2
223.09868	0.6
224.07159	0.2
224.10670	0.4
226.08560	0.4
226.12219	0.2
227.09418	0.4
228.06544	0.2
228.10197	0.9
229.10905	1.3
230.11771	0.4
232.13354	0.3
236.10698	0.5
238.12158	0.2
239.09125	0.2
240.10149	1.6
241.10901	0.3
242.08173	0.2
242.09317	0.2
242.11734	2.3
243.08665	0.2
243.12560	0.2
244.09714	1.0
244.13309	0.4
246.11227	0.3
249.11478	0.2
250.08586	0.2
250.12405	0.2
252.10364	0.3
254.11786	1.2
255.12505	1.0
256.09763	0.8
256.13327	5.6
257.13959	0.2
258.11349	0.6
259.12057	0.5
260.12860	1.6
264.10092	1.0
265.11014	0.2
266.11716	0.6
267.12558	0.2
268.13254	0.7
270.11270	1.0
270.14859	0.6
271.12018	0.9
272.12805	3.5
274.14398	0.3
280.13315	1.3
282.11301	0.3
282.14941	0.4
284.12921	0.2
286.11102	0.3
286.14355	3.8
287.15225	0.6
296.12766	0.3
297.13586	0.2
298.14420	1.2
300.15652	0.2
302.13907	0.2
304.15414	0.2
312.15906	0.1
314.13812	0.9
315.14456	0.3
315.18170	0.1
316.15445	1.7
317.16028	0.2
318.16946	1.1
330.16995	4.5
332.14874	0.3
332.18570	1.1
333.15573	0.2
344.18582	0.4
346.16489	4.8
346.20697	0.3
347.17252	1.7
362.19595	100.0
363.19913	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01872	1.8
56.05027	1.0
56.96560	1.2
57.03432	3.7
58.06607	40.0
58.99628	0.9
61.02927	6.3
62.06064	1.4
69.03434	8.6
69.99676	2.3
70.00064	2.0
70.06585	3.1
71.04972	2.6
72.08122	1.5
73.02911	3.0
76.02228	1.3
79.05482	1.4
81.03439	5.1
82.91421	0.9
84.04516	1.4
84.08137	2.2
85.02913	47.2
85.03435	2.2
86.09696	2.0
87.04453	2.2
88.91472	1.0
91.03953	3.2
91.05489	1.6
97.02908	12.9
98.21405	1.1
98.97566	2.6
99.04456	3.1
107.04920	1.1
109.02869	4.0
110.65262	0.9
113.02350	0.9
119.04921	1.1
121.06474	1.3
122.02758	2.3
122.03613	1.4
123.04464	1.0
127.03926	11.8
130.06552	1.2
133.06425	1.3
137.05989	100.0
138.06361	1.8
145.04971	19.8
147.04414	1.3
161.06007	2.2
163.06065	2.0
164.55560	0.8
165.09158	1.2
180.08682	3.5
183.06555	36.7
190.08614	2.0
193.08585	1.1
206.08177	1.0
207.08998	2.4
208.09758	1.8
214.08588	1.4
219.01762	1.7
222.11264	6.4
223.12315	1.1
229.50171	0.9
237.02797	1.6
249.07579	1.5
253.08765	1.1
299.09189	2.6
319.12445	1.0
339.03854	2.6
344.15021	7.9
362.12149	6.7
362.15979	27.5
362.20187	2.2
363.16348	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	362.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01871	2.4
56.05038	1.4
56.96560	2.5
57.03435	1.6
58.06605	49.9
58.99597	7.8
65.17898	1.2
69.03440	4.7
69.03812	1.2
70.06598	6.1
71.56586	2.0
72.08153	3.0
74.06056	1.5
74.09741	1.2
76.02235	16.8
79.05504	3.8
81.03411	1.9
84.04508	3.6
84.08142	3.6
85.02916	7.1
86.09707	3.4
86.99074	6.1
87.04503	1.6
91.05494	18.4
93.07063	7.2
95.63229	1.2
97.02926	2.3
98.06091	1.4
98.97608	3.0
103.05451	2.1
105.00095	8.5
105.07028	9.2
107.04973	5.5
107.08619	3.5
110.07181	1.7
110.97574	1.3
115.05495	2.1
116.06233	3.1
117.07023	11.8
119.04962	2.7
119.08612	2.5
121.06508	21.0
121.10172	5.3
122.02740	100.0
123.04443	2.5
127.03992	1.9
130.06508	2.0
131.04929	3.3
131.08585	48.3
133.10155	4.7
135.08058	4.1
137.05998	7.1
145.06480	4.9
147.04433	3.7
149.05988	6.2
149.09639	16.6
156.08073	2.4
159.08067	21.8
159.09253	2.2
161.09650	4.2
163.07553	1.8
164.07063	1.4
165.05556	3.0
165.07045	1.4
165.09196	4.5
177.09128	73.7
184.07587	2.2
187.07578	20.4
188.81773	1.4
190.08629	1.8
192.10201	1.3
195.10156	2.0
197.06122	1.3
205.08629	13.9
207.08150	1.6
209.05954	1.7
213.07999	2.0
214.08655	6.5
215.13907	1.3
222.11365	2.2
223.09663	4.7
223.12274	2.5
235.07533	3.6
237.02853	1.6
240.06642	2.1
242.08163	2.1
252.10353	1.7
258.07843	2.9
273.02206	1.6
275.12366	1.4
284.09198	1.9
327.12241	2.4
344.15012	2.9
345.09833	1.8
362.12259	27.6
362.16022	42.2
362.19537	5.4
363.16190	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	360.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55885	0.2
55.05500	0.6
56.96544	0.3
58.06592	0.4
58.27835	0.2
61.02924	0.3
63.79674	0.2
64.14047	0.2
67.05505	0.6
69.03419	0.3
69.07066	0.4
69.40881	1.6
69.66428	0.2
71.04996	0.6
71.08620	0.5
73.55408	0.2
79.05486	0.6
81.07063	0.5
85.02907	0.4
91.05506	0.6
93.07040	0.8
95.05019	0.3
95.08630	0.4
97.02882	0.3
97.10188	0.3
98.97619	0.5
105.07053	0.4
106.06554	0.3
107.08601	0.5
117.05768	0.5
117.06984	0.3
118.06561	5.1
119.08607	0.3
121.10142	0.5
130.06544	0.7
131.07343	1.3
131.08308	0.2
131.08493	0.2
132.08090	2.8
133.08867	0.5
134.09660	0.4
138.06360	0.3
144.08122	0.3
145.08887	0.2
146.09651	2.1
147.10442	0.3
153.12839	0.3
158.09628	0.3
160.11266	1.2
162.12889	0.4
166.33545	0.2
173.11835	0.4
174.12746	0.4
176.10774	0.3
188.14363	1.5
202.15932	1.6
203.16647	0.3
207.73563	0.2
216.17482	0.8
244.20680	1.6
272.20123	19.9
273.20520	0.4
275.20001	0.4
290.21173	7.8
331.15079	0.3
340.15433	1.2
360.29001	100.0
361.29388	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2898
Annotation	Methyl homosecodaphniphyllate
Peak:m/z	Relative Intensity
55.01860	0.3
55.05500	0.7
55.50901	0.2
56.04977	0.2
56.79371	0.2
56.96539	0.2
57.03442	0.2
58.06582	0.3
59.04990	0.2
66.87143	0.2
67.05506	1.3
69.03416	0.3
69.07059	1.0
69.78023	1.1
71.04994	1.1
71.08621	0.3
76.17818	0.2
78.07111	0.2
79.05495	0.9
81.07043	0.8
83.08601	0.4
84.07683	0.2
85.02920	0.2
85.41855	0.2
91.05462	0.6
93.07030	0.7
95.04985	0.2
95.08607	0.5
97.06522	0.4
97.10145	0.4
98.97586	0.4
105.07034	0.3
106.06551	2.2
107.07308	0.3
107.08582	0.8
109.10164	0.4
117.05792	0.3
118.06543	3.2
119.08555	0.2
120.08060	0.2
121.10141	0.8
125.09602	0.3
130.06564	0.2
131.07309	1.8
131.08342	0.2
132.08064	1.5
133.08923	0.4
133.10133	0.3
134.09634	0.8
137.06029	0.4
146.09647	3.3
148.11197	0.3
149.13304	0.2
153.12727	0.5
160.11220	3.8
161.12001	0.2
162.12791	0.3
172.11189	0.5
173.11723	1.0
174.12805	0.4
188.14336	1.9
189.11198	0.3
202.15912	2.0
216.17502	3.1
219.71758	0.2
227.16414	0.3
230.19090	0.4
244.20625	4.4
272.20081	23.5
273.20425	0.5
275.20016	0.7
287.97186	0.2
290.21158	3.5
312.84784	0.2
347.20123	0.2
360.28961	100.0
361.29306	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	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.05519	5.9
56.96551	1.6
57.03410	0.8
58.06593	0.8
61.02929	1.1
61.60009	0.7
65.03949	0.6
67.05514	9.6
69.03427	1.3
69.07074	6.2
70.08691	2.9
71.04996	14.3
71.08618	0.8
72.06799	0.7
73.02927	1.2
73.06555	1.2
79.05504	8.4
81.03411	0.7
81.07066	9.2
83.04999	1.1
83.08619	2.7
85.02906	2.2
88.44092	0.6
91.03939	0.9
91.05478	5.1
93.07053	8.7
95.05001	1.0
95.08615	5.7
97.02892	1.1
97.06515	2.3
97.10183	4.2
97.85258	0.6
98.21475	0.8
98.97580	2.6
105.07026	4.4
106.06576	1.6
107.08600	7.7
109.06491	1.3
109.10159	6.1
111.04595	0.7
111.08076	1.2
112.45029	0.6
115.05501	0.8
116.98625	1.1
117.07032	2.0
118.06562	3.5
119.08595	2.9
121.06540	1.3
121.10143	6.6
123.11678	1.3
125.09629	3.2
127.03961	0.8
129.07057	0.7
131.07318	1.6
131.08585	1.5
132.08078	1.3
133.10138	2.8
134.09679	0.9
135.08101	0.8
135.11679	2.2
137.05988	1.4
145.10141	1.8
146.09676	2.5
147.11711	2.1
149.09607	1.4
149.13290	0.9
153.12772	6.0
155.10674	2.4
159.11690	1.2
160.11203	2.7
161.06059	0.9
161.13274	0.8
163.06082	0.7
163.11192	0.6
165.09145	0.8
172.11279	0.8
173.11769	7.8
174.12788	0.8
177.12785	1.3
188.14436	1.7
189.11218	3.6
195.13844	3.0
202.15921	1.4
209.15443	0.8
213.14819	1.2
216.17499	3.2
227.16426	7.4
244.20633	3.0
257.19003	1.9
258.19162	0.7
272.20105	21.2
275.20096	11.1
290.21143	5.2
293.21210	0.9
307.22754	1.9
331.14929	1.3
335.27835	0.7
340.15421	5.2
360.28995	100.0
361.29391	1.4
369.24673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1806
Annotation	Prometaphanine
Peak:m/z	Relative Intensity
56.05041	1.0
58.06604	100.0
69.03469	0.6
69.49057	2.7
69.49468	1.3
70.06645	0.6
70.50774	0.6
90.96539	0.6
91.05511	0.9
91.64977	0.6
91.95401	0.5
98.03864	0.6
98.97556	0.5
99.39804	0.6
124.52498	0.6
129.89409	0.5
130.06544	0.6
154.77208	0.5
178.08649	0.9
183.08018	0.9
211.07591	4.7
213.32162	0.7
225.09167	1.4
240.07695	0.7
241.08687	1.5
250.09877	0.6
253.08655	1.2
254.09416	1.9
255.10190	8.9
256.10983	1.7
267.10266	1.0
269.11624	0.7
271.09653	5.8
282.12460	0.8
283.09686	1.6
285.11182	5.4
286.11993	10.7
300.13370	1.5
300.16272	0.9
313.14056	0.6
315.11884	0.7
328.15451	5.3
342.17142	1.9
343.17877	5.4
360.18079	35.6
361.07126	0.8
361.18475	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
58.06604	6.0
70.72665	0.2
72.08144	0.2
79.05514	0.3
91.05495	0.9
95.07406	0.4
103.05482	0.6
105.07046	0.4
107.04963	1.1
108.05766	0.6
115.05475	1.0
117.07011	1.3
121.06534	0.8
123.04392	0.4
124.03951	0.4
130.04134	0.3
130.06499	0.3
131.04967	0.3
133.06476	0.5
134.07265	0.3
135.04408	0.4
136.05186	0.7
136.26228	0.2
137.05991	0.2
145.04837	0.3
145.06490	7.0
147.06792	11.5
149.05934	0.2
150.06775	1.4
151.07544	11.2
152.14362	0.3
155.06120	0.7
158.07324	0.3
164.07097	1.9
165.09108	2.6
167.07042	1.3
173.05992	3.8
174.06700	0.5
175.06293	8.5
176.07002	0.3
177.09056	0.3
178.08690	0.3
181.08597	0.9
189.09128	0.5
190.06226	0.5
190.08621	0.3
192.06502	0.5
193.05592	0.4
193.07343	7.8
205.08604	3.0
208.09689	100.0
209.09935	0.7
209.53899	0.2
211.07574	0.7
225.09038	0.4
237.08978	0.4
251.10675	0.4
253.08716	0.4
254.09387	0.4
255.10063	0.9
265.08521	0.5
268.10788	0.2
271.09558	0.6
280.10818	0.4
283.12762	0.4
285.11206	0.6
286.11966	1.5
297.11139	0.6
311.12781	0.6
312.13443	0.8
316.19107	0.6
323.72012	0.3
328.15329	0.7
343.15088	2.4
360.17941	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	360.1804
Annotation	Prometaphanine
Peak:m/z	Relative Intensity
57.05812	0.4
58.06607	18.4
70.06586	0.6
71.09512	0.8
91.05440	0.8
93.65630	0.4
94.18201	0.4
119.04910	0.8
121.79700	0.4
122.03701	0.4
123.72889	0.5
131.04951	1.9
137.05986	6.6
139.30472	0.4
143.04903	0.5
151.06482	0.5
151.07527	3.1
153.05525	0.8
159.04434	3.0
162.74767	0.4
163.03841	0.5
176.04767	0.5
177.09177	0.4
178.08665	1.2
181.06584	0.5
183.08008	0.6
185.65433	0.4
191.07039	1.5
193.11002	2.0
195.07997	0.9
207.08051	0.9
208.09682	1.2
209.09630	0.5
211.07590	0.8
223.07628	0.6
226.10010	0.6
227.07080	0.7
237.09029	0.9
238.09927	0.5
239.07048	0.8
241.08615	0.9
242.09520	0.6
242.11810	1.0
244.13365	1.5
249.09087	0.5
251.07079	0.9
253.08575	1.7
254.09311	1.1
255.10194	1.1
256.07513	0.5
257.08200	1.1
257.11536	0.6
258.08783	0.5
259.09631	0.5
265.08606	0.9
266.09439	1.2
267.06567	0.8
267.10165	1.5
268.10822	0.6
269.08142	1.2
269.11700	1.2
270.08768	1.0
271.09741	1.9
273.07471	0.6
281.11633	0.5
282.08948	0.6
283.09717	1.9
285.07626	0.8
285.11191	1.7
286.08691	0.5
286.12079	0.9
287.09180	0.9
288.09882	1.3
296.40173	0.4
297.11172	1.3
298.11853	0.5
299.09171	1.6
299.12616	0.6
300.09573	0.5
302.11383	0.8
314.11380	0.8
315.12097	0.6
328.15421	2.1
344.14917	1.0
345.15796	6.8
360.18076	100.0
361.18390	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.5
56.05017	3.1
56.96565	5.8
57.03439	9.5
58.06601	17.3
61.02916	6.7
69.03080	2.4
69.03432	32.7
70.06592	13.2
71.04985	2.0
71.55170	1.8
72.08146	3.4
73.02917	7.9
73.06554	1.9
81.03415	7.5
84.04495	3.8
84.08151	7.8
85.02906	100.0
85.06564	1.6
86.09689	5.3
87.05614	1.5
91.05489	2.3
97.02887	34.2
98.97592	10.3
99.04434	8.5
101.02355	6.0
104.05304	2.0
109.02871	6.4
110.07167	2.3
110.97569	1.9
112.07616	2.0
115.03967	2.9
116.07100	3.0
116.98634	2.7
123.05561	1.8
124.03938	2.2
127.03918	72.8
130.08691	2.0
131.04884	2.0
136.06197	3.2
137.05930	9.7
139.03969	1.6
145.04964	63.2
146.96185	1.7
152.06985	2.5
156.03334	9.8
158.99652	3.0
162.89920	1.7
163.06035	14.6
163.07314	2.7
168.03357	7.3
174.04480	8.0
177.00658	2.9
180.06532	2.3
180.08665	4.3
182.03442	1.9
186.04379	23.2
198.07597	1.9
198.09734	2.1
204.05424	10.8
219.07854	2.4
227.06683	2.9
231.02950	3.8
237.02837	2.5
245.48831	2.3
249.03978	6.5
279.10449	2.1
297.11267	3.8
328.11728	2.0
360.10233	2.5
360.14233	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	360.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01877	9.7
57.03444	8.5
58.06600	3.3
58.99875	1.1
61.02918	5.8
69.03436	37.3
69.69477	8.3
70.06587	5.7
71.04997	2.8
73.02940	9.5
81.03393	3.3
83.01321	1.4
83.86037	1.2
85.02911	100.0
87.04433	1.7
91.03979	2.1
97.02290	2.2
97.02901	37.5
97.62218	1.4
99.04475	7.8
101.02395	4.8
109.02876	7.7
115.02467	1.3
115.03935	4.4
117.04034	3.1
127.03928	72.2
137.06001	2.1
145.03500	3.6
145.04974	62.5
163.04741	2.4
163.06044	18.3
164.64981	1.3
180.08675	3.5
185.09219	2.0
195.01471	2.0
198.09818	2.5
207.32228	1.5
213.02417	3.0
237.02686	1.7
302.18475	1.7
360.14319	2.9
363.04993	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54794	2.2
53.03960	12.8
53.04169	2.2
55.01870	13.1
55.05516	24.0
57.03441	17.6
57.07080	12.6
61.02938	6.5
61.48693	2.1
67.05167	3.6
67.05511	48.7
68.99799	11.2
69.03434	53.4
69.07073	76.8
71.01348	3.2
71.04993	11.9
71.08639	27.8
71.56687	3.8
73.02930	4.5
75.64642	2.8
79.05503	33.0
81.03423	100.0
81.07066	40.2
83.04985	24.1
83.08628	6.3
84.70165	2.2
85.02914	57.4
85.06557	2.9
85.10181	7.9
87.00837	21.3
91.05489	19.6
93.07044	28.8
95.04979	25.0
95.08615	27.7
97.02890	19.9
97.06547	9.6
98.97572	2.7
99.04471	16.4
99.08105	24.6
103.03943	7.3
103.05470	4.0
105.01897	8.5
105.07039	15.4
107.04971	18.8
107.08595	16.1
109.02889	32.6
109.06513	8.3
109.10164	21.3
111.04478	15.0
111.11775	4.3
113.09653	13.3
115.03945	2.6
115.05484	2.8
117.07041	6.7
119.08588	10.1
121.06520	16.0
121.10118	11.5
123.04436	50.1
123.08102	4.8
123.11689	11.3
125.06023	6.5
125.09647	7.9
127.03921	47.9
129.01852	4.4
131.04982	5.7
131.08594	6.4
133.06473	2.4
133.10135	8.6
135.08067	6.5
135.11690	8.9
137.05968	22.9
137.09615	4.6
137.13333	2.6
139.07533	3.0
139.11188	4.8
141.05431	3.7
141.12749	21.3
145.05124	3.8
145.06445	3.2
145.10139	7.2
147.02890	7.8
147.08092	4.2
147.11711	7.7
149.09627	3.5
149.13263	3.5
151.07556	5.1
151.11214	12.7
153.12741	16.2
157.12291	4.8
163.11160	5.3
165.12796	7.2
167.07045	2.5
169.12254	16.7
175.11238	5.8
177.12703	4.7
179.10828	3.4
189.03984	6.4
191.14285	7.3
193.12328	2.4
195.13837	19.9
201.12778	6.3
207.08386	2.7
207.13814	13.4
209.15381	3.4
213.03940	3.8
219.13823	28.3
225.14912	5.4
231.05028	14.7
237.14854	25.9
255.15923	7.7
297.68033	2.7
314.14877	2.9
323.14883	4.8
341.12677	3.4
341.16287	4.2
343.33853	2.5
359.16827	4.7
359.20651	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	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
55.01871	11.8
55.05515	28.5
55.70477	2.2
56.96554	7.2
57.03431	10.8
57.07071	9.5
61.02922	6.3
65.03911	2.5
67.05515	34.1
68.99777	5.6
69.03085	3.9
69.03433	58.8
69.07072	100.0
70.09748	3.1
70.10096	7.8
71.01368	3.0
71.04980	6.5
71.08636	19.0
79.05507	22.0
81.03419	72.8
81.07054	29.8
83.01331	2.6
83.05001	16.8
83.08624	6.0
83.87331	2.4
85.02909	39.9
85.06542	4.0
85.10170	5.3
87.00831	20.3
91.05472	15.5
93.07043	23.2
95.04974	20.7
95.08615	25.3
97.02894	16.8
97.06519	7.8
97.10166	3.1
98.97567	10.3
99.04452	13.0
99.08102	18.4
103.03925	7.4
103.05477	4.8
105.01839	6.0
105.07038	16.2
107.04961	11.8
107.08609	12.5
109.02896	30.1
109.06492	6.0
109.10157	19.1
111.04452	15.8
111.08076	3.0
111.11718	6.1
112.99157	2.6
113.09631	11.3
115.03901	3.1
115.05436	3.0
116.98611	3.4
117.07003	6.7
119.08552	8.2
121.06480	13.0
121.10150	10.3
123.04427	34.4
123.08056	3.8
123.11689	11.1
125.09589	6.6
127.03934	52.2
129.01826	7.8
131.04904	8.2
131.08575	5.8
133.06525	4.1
133.10091	9.0
135.08032	4.6
135.11699	8.6
137.06001	22.2
137.09578	2.6
137.13281	3.7
139.03859	2.9
139.07550	2.9
139.11140	3.3
141.12743	17.8
145.10167	3.6
147.02882	5.5
147.11674	9.8
149.13280	4.0
151.11200	10.0
153.12772	14.0
157.12276	3.4
159.11624	3.5
163.07504	3.2
163.11237	3.7
165.12776	5.9
165.89673	2.5
169.12242	13.3
173.13197	4.1
175.11264	2.5
177.12813	6.1
179.10686	2.9
183.13953	2.8
189.03944	4.5
191.14284	7.1
193.76251	3.2
195.13815	20.6
197.83794	2.7
201.12828	6.7
207.13780	9.5
209.15239	2.8
219.13870	22.6
225.14845	3.9
231.05019	12.2
237.14784	20.1
241.11218	12.3
255.15918	6.2
259.12241	8.5
267.15842	3.7
285.10052	5.8
285.17197	4.1
305.14053	2.5
323.15121	5.4
329.68008	3.2
341.12677	15.0
341.19415	4.6
347.13623	7.7
347.71780	2.6
356.17838	3.2
359.13791	8.5
359.20776	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	358.2013
Annotation	Protostephanine
Peak:m/z	Relative Intensity
58.06600	6.0
70.57243	0.8
70.57598	0.7
72.08124	0.4
83.24248	0.3
86.09698	2.2
117.55227	0.3
150.51653	0.3
151.07561	1.2
165.21425	0.3
173.08945	0.3
195.08066	0.8
199.18098	0.6
206.11778	0.6
207.08138	0.4
209.09657	0.9
210.10434	0.5
211.07353	0.4
212.08443	0.4
212.10751	0.3
213.11382	0.3
221.09616	1.4
222.10405	0.9
223.07605	0.3
224.08276	1.8
225.09131	1.2
226.09900	1.4
235.07661	0.6
237.09193	1.6
238.09830	1.9
239.10634	1.4
240.07826	0.9
241.08670	0.7
241.12335	0.6
242.11801	0.4
244.13373	1.3
249.09119	1.3
250.09969	1.5
251.10677	0.9
252.07822	0.5
252.11465	2.0
253.08652	0.7
253.12271	2.8
254.09375	0.8
255.10162	2.8
256.10907	0.6
265.08655	0.6
265.12213	2.9
266.09314	0.7
267.10132	0.9
268.10938	1.8
269.08170	0.5
269.11740	2.5
270.12497	1.8
281.11740	8.7
282.12363	1.3
283.09998	1.9
283.12979	1.9
284.10471	0.7
284.14011	1.3
285.11246	1.2
286.11932	1.0
296.14072	10.3
297.11151	1.7
297.14175	0.6
298.11990	3.6
298.15228	0.5
299.12692	0.9
300.13470	1.8
312.13394	2.8
314.13965	0.5
314.17493	0.5
326.17346	0.5
327.15955	1.3
328.15292	0.5
330.16995	1.0
342.17041	1.8
343.17816	1.1
358.16623	4.8
358.20135	100.0
359.20456	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	358.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12413	0.3
53.28992	0.3
56.96557	0.6
58.06607	6.7
62.95900	0.3
63.47359	0.3
64.01969	0.3
69.03427	0.3
71.07374	0.4
72.08161	4.7
84.17444	0.3
86.09710	0.9
90.55484	0.3
91.05486	0.4
98.97584	0.8
106.26055	0.3
110.42264	0.3
110.97575	0.3
137.05952	0.6
138.52036	0.3
151.07544	0.6
181.06548	0.4
183.07986	0.4
191.08549	0.4
195.08044	0.9
196.08833	0.7
197.06082	0.4
206.11655	0.4
207.08025	0.5
209.05969	0.6
209.09747	0.6
211.07523	1.0
215.02943	0.4
219.08151	0.7
221.09602	0.4
222.10497	1.2
223.07620	1.4
224.08284	0.8
225.09000	0.8
226.09895	0.4
227.10727	0.5
229.08441	0.4
230.03137	0.3
234.06819	0.5
234.61937	0.3
235.07512	2.4
237.09154	1.2
238.09879	1.3
239.07072	0.7
239.10645	1.4
240.07678	0.3
241.08574	1.9
242.09460	0.3
242.11804	0.5
244.13313	0.8
249.09181	0.9
250.09889	3.6
251.07054	1.2
251.10672	0.6
253.08446	0.5
253.12253	1.3
254.09279	0.7
255.06282	0.3
255.10191	2.3
256.10956	0.5
257.03876	0.4
258.15057	0.5
265.03583	0.4
266.04507	1.4
266.09375	0.8
267.10190	3.6
268.10718	0.4
269.08185	1.7
269.11694	2.0
270.08795	0.4
270.12625	0.7
271.09592	1.0
272.10489	0.4
275.04904	0.5
281.11780	5.0
282.12534	4.9
283.09689	1.7
283.12933	0.6
284.06387	0.4
284.10483	2.7
284.13803	0.6
285.11319	0.5
286.12061	1.7
298.11923	2.2
307.06100	0.3
308.05386	0.3
313.14368	0.6
314.13980	0.4
314.17453	0.5
323.59882	1.6
324.09964	0.5
328.15558	0.5
330.81604	0.4
342.16977	2.3
343.17831	1.8
358.20154	100.0
359.20581	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	358.1652
Annotation	Corydine N-oxide
Peak:m/z	Relative Intensity
52.24497	0.3
53.03947	0.4
55.94691	0.4
56.96558	0.6
58.06593	0.8
69.07075	0.5
69.37085	3.5
71.04997	0.4
72.04528	3.0
81.03411	0.5
85.02933	0.5
91.05534	0.4
93.07045	0.5
98.21580	0.5
98.97581	0.9
101.92326	0.3
102.05553	1.1
103.05927	0.5
105.07021	1.3
109.02832	0.6
113.09646	0.4
127.03915	0.4
137.06004	1.4
141.05450	0.4
165.07019	0.6
167.08614	0.4
175.07539	0.8
178.07811	0.9
179.08635	0.6
181.06516	1.4
181.10103	0.5
183.08128	0.9
188.08354	0.7
191.08551	0.9
194.07272	0.8
195.08003	2.9
196.08865	1.5
197.06061	0.6
206.07468	0.4
207.08086	2.0
208.08913	0.5
209.06219	1.0
209.09647	2.5
210.10468	3.1
211.07600	4.4
212.08362	1.3
212.30646	0.5
213.09105	0.6
216.10300	0.4
219.08067	1.1
220.08897	0.6
221.09666	1.7
222.10400	3.0
223.07578	4.9
224.08432	1.1
225.09152	1.9
226.10056	1.8
227.07033	0.8
227.10713	1.8
228.21996	0.5
232.13353	0.9
234.06882	0.9
235.07578	4.5
236.08403	0.5
237.05482	0.8
237.09114	5.0
238.09917	6.3
239.07068	1.8
239.10646	3.9
240.07794	1.3
241.08635	2.9
241.12216	2.3
243.10246	0.5
248.08339	0.4
249.09135	2.7
250.09869	6.8
251.07126	2.5
251.10654	1.3
252.07819	1.0
252.92044	0.5
253.08612	1.1
253.12227	3.0
254.09465	3.9
255.06453	0.8
255.10170	11.9
256.07352	0.8
256.10992	2.5
265.08633	1.2
266.09390	3.6
266.11838	0.7
267.10159	9.4
267.12772	0.9
268.11069	0.8
269.08185	3.1
269.11765	13.3
270.09146	0.8
270.12527	8.6
271.09674	4.6
272.10416	1.1
281.11743	18.8
282.12518	12.4
283.09616	4.1
283.12402	0.5
284.10428	5.8
285.11398	0.9
286.12097	5.9
294.11398	0.6
298.11914	8.0
301.14529	1.1
313.14316	4.8
330.17017	26.7
358.16516	100.0
358.23816	2.6
359.16913	1.7
376.17856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1651
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
50.97575	0.4
58.06549	0.4
60.04502	0.8
62.81731	0.4
63.91849	0.3
66.04688	0.4
67.05479	0.6
69.87057	1.2
70.41690	0.3
72.04508	1.1
79.05480	1.2
81.07061	0.9
88.03963	0.4
91.05486	2.9
93.07037	0.7
95.04983	0.4
95.08559	0.4
96.32629	0.4
98.97623	0.4
102.05550	0.6
102.53477	0.3
103.05445	0.7
103.44753	0.3
105.07043	1.7
106.05008	0.4
107.04962	2.6
107.08568	0.7
108.05733	0.9
109.06474	0.5
109.10151	0.4
115.05450	10.2
117.07005	0.8
119.04969	1.8
119.08600	0.4
121.06516	0.6
121.10134	0.6
123.08047	0.5
123.11690	0.5
131.04906	1.4
132.08090	0.7
133.06531	0.5
134.06042	0.6
135.04398	1.7
135.06790	0.8
136.05193	2.4
137.05972	6.2
139.07515	0.4
143.04922	19.1
145.06477	0.7
146.06015	0.5
147.08040	1.1
147.11653	0.5
150.06752	2.7
151.07547	29.5
158.07254	0.9
160.05199	3.1
160.07512	2.2
161.06052	0.6
161.08356	0.5
163.06296	21.1
163.07500	1.1
164.07008	0.6
165.05516	0.4
165.06876	0.4
165.09109	5.8
174.06816	2.0
175.07562	13.4
176.06990	0.6
177.07851	1.0
178.08643	42.6
179.08650	0.6
188.55153	0.4
189.07552	0.5
189.09114	4.0
191.09473	0.4
192.10208	8.9
193.10321	0.3
195.08095	0.9
203.06946	0.4
206.08133	100.0
207.08174	1.3
218.07156	0.4
219.08040	0.8
220.09703	15.7
221.09741	1.9
222.10458	2.2
223.07484	0.9
225.09123	0.7
234.06824	0.6
234.14986	0.7
235.07471	1.8
237.09184	0.7
238.09836	1.0
239.07187	0.5
239.10587	0.7
249.09167	2.7
250.09846	3.9
251.07074	1.2
251.10533	0.6
252.16017	0.7
253.08655	0.7
253.12239	3.7
265.08563	0.7
266.09491	1.8
267.10254	2.3
268.07196	0.4
270.08771	0.4
280.10437	0.5
280.15494	0.8
281.11713	7.0
282.12521	3.7
283.09683	1.4
285.11255	0.9
298.11923	2.0
298.16537	0.9
313.14337	44.6
314.14600	0.6
330.16919	1.1
358.16525	16.1
358.23135	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1654
Annotation	Corydine N-oxide
Peak:m/z	Relative Intensity
56.96568	0.3
69.03397	0.4
70.89068	0.8
72.04517	2.3
81.07049	0.7
84.75937	0.3
86.63245	0.3
91.05462	0.3
92.43707	0.4
98.97600	0.4
112.02640	0.3
116.98641	0.5
126.29520	0.3
129.47923	0.3
129.55093	0.3
137.05974	1.0
141.05496	0.5
151.07562	0.7
165.07057	0.6
167.08562	0.5
175.07622	0.5
178.07870	0.5
179.08615	0.8
181.06499	1.3
182.07341	0.4
183.08087	0.8
188.08365	0.8
191.08493	0.6
191.22934	0.3
194.07300	0.8
195.08075	2.6
196.08810	1.3
197.05966	0.8
198.06726	0.5
206.07307	1.2
207.08148	2.1
208.08887	0.4
209.05956	1.1
209.09599	2.8
210.10374	2.8
211.07558	4.3
212.08356	1.4
213.09106	0.6
216.10143	0.5
219.08064	1.2
220.08929	0.3
221.09668	1.8
222.06755	0.5
222.10385	2.6
223.07550	3.5
224.08333	1.4
225.05649	0.4
225.09193	1.6
226.06195	0.6
226.09869	2.2
227.07063	0.8
227.10641	1.6
234.06842	0.8
235.07578	3.7
236.08336	0.7
237.09119	5.2
238.09904	7.3
239.07098	2.5
239.10672	3.3
240.07840	1.3
241.08638	2.6
241.12239	2.7
242.09355	0.5
243.10242	0.8
249.09135	3.1
250.09904	6.9
251.07040	3.0
251.10663	1.3
252.07835	1.3
252.10149	0.4
253.08540	0.8
253.12234	2.6
254.09425	3.5
255.10168	10.8
256.07288	0.7
256.10950	2.1
257.07962	0.6
265.08411	0.6
266.09375	3.4
266.11908	0.5
267.10187	9.6
267.12372	0.4
268.06955	0.4
268.10898	0.9
269.08206	2.5
269.11749	14.0
270.09061	1.3
270.12488	10.1
270.15405	0.4
271.09726	4.8
272.10516	0.6
281.11731	19.6
282.12524	12.9
283.09659	4.2
283.12399	0.5
284.10431	5.3
285.11151	1.0
286.12082	5.7
287.12592	0.5
294.11267	0.4
298.11908	7.8
300.12122	0.5
301.14285	1.0
313.14395	4.8
326.13794	0.5
330.17017	24.2
358.16504	100.0
359.16760	1.6
376.17380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.165
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
55.40313	0.4
56.05042	0.6
56.96570	2.4
58.06606	100.0
59.05009	0.7
69.03454	1.1
69.42428	3.1
70.06608	3.6
72.08169	1.2
81.03416	0.9
82.76311	0.4
84.04517	1.1
84.08168	1.3
85.02915	2.1
86.09724	1.2
87.04514	0.5
89.06042	0.6
91.05488	0.8
97.02909	0.9
98.06073	0.4
98.97600	2.4
103.03967	0.7
110.07172	0.8
110.97581	0.6
116.98655	1.2
119.04964	0.5
121.02898	0.5
121.06525	0.7
124.03962	2.0
127.03957	0.6
128.98570	0.5
132.10185	0.7
133.08813	0.4
136.06204	1.2
136.07587	0.8
137.06009	3.2
138.06363	1.4
150.09186	0.4
151.07584	0.5
167.07039	0.4
181.09709	0.7
182.99670	0.6
191.01813	0.7
193.52058	0.7
196.09744	0.5
200.02350	1.1
206.02324	1.0
207.03094	0.7
207.08104	0.6
209.09355	0.6
212.02161	0.8
221.02870	1.3
230.03410	1.9
234.06812	0.8
235.07568	1.7
248.03513	0.5
253.08578	0.6
257.03833	1.9
257.53986	0.6
262.06326	1.7
263.04309	0.5
263.07132	1.8
266.04358	3.5
268.08057	0.8
272.04474	4.1
272.54755	0.6
275.04938	0.9
281.04953	0.5
281.08142	0.9
282.08646	0.4
289.11716	0.4
307.05734	0.5
308.06506	1.3
309.07703	0.8
313.10706	1.8
317.06015	4.3
317.56155	0.9
323.09134	2.3
337.07147	0.4
340.11908	1.5
341.10269	4.8
358.01440	0.7
358.12823	3.6
358.16537	39.0
359.17404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
56.96562	1.0
58.06601	1.1
59.79978	0.6
61.02923	0.7
69.03442	1.6
69.90141	1.7
69.90535	1.3
70.06592	2.1
79.05492	2.9
80.53111	0.6
81.03402	1.0
84.08148	0.8
85.02894	3.1
86.09700	1.2
95.04962	1.0
97.02882	1.5
98.21420	0.9
98.97578	2.6
102.05590	0.8
103.05437	1.6
105.07031	100.0
122.09672	46.2
127.03912	1.2
128.98535	0.7
137.05948	4.8
138.06296	1.4
177.00787	0.8
203.51799	0.8
206.08145	1.2
219.01781	1.5
237.02849	1.3
266.04605	0.8
274.00403	0.7
296.56232	0.7
374.14941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
53.03944	1.9
55.05508	1.0
57.03445	1.1
58.06602	3.3
61.02929	0.6
62.40737	0.5
69.03433	9.3
69.75519	2.9
71.04985	1.1
73.06568	1.8
78.03461	14.8
80.05027	2.3
81.03426	17.9
81.66077	0.5
84.04515	0.9
85.02906	10.7
87.09595	0.5
96.04507	2.2
97.02902	4.5
98.97595	0.9
99.04501	2.6
106.02926	64.6
109.02886	9.8
124.03963	100.0
125.04347	0.6
127.03952	6.4
137.06004	2.1
144.07816	0.6
145.05031	0.6
161.06009	1.0
162.06848	0.8
166.05045	1.9
178.08650	3.1
181.08607	0.6
181.74420	0.6
206.08223	5.3
221.10478	5.0
232.06036	7.7
241.59511	0.6
244.08580	0.6
250.07132	20.8
266.11694	0.6
267.12631	1.3
268.08179	36.6
271.13062	0.6
272.04376	0.5
326.13879	2.1
328.12170	1.2
328.62897	0.6
358.16541	11.1
358.20575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3153
Annotation	stellatic alcohol
Peak:m/z	Relative Intensity
51.44184	1.8
53.03951	2.7
55.05513	17.1
57.07079	4.1
59.02492	1.9
65.03933	2.3
67.05511	26.6
69.07075	24.9
71.04976	2.1
76.26893	1.8
79.05514	16.3
81.07061	100.0
83.08627	13.1
85.06567	2.0
91.05415	12.0
91.95560	2.0
93.07049	58.6
95.04973	1.9
95.08613	83.7
97.06517	3.3
97.10155	7.7
105.07038	33.6
107.08602	59.7
109.06495	2.6
109.10167	52.4
111.08067	2.5
111.11736	4.4
116.42699	2.0
117.07014	2.8
119.08586	34.9
121.10144	45.8
123.08057	3.3
123.11721	27.8
125.09572	2.4
131.08533	8.7
131.59520	1.8
133.10144	22.6
135.11713	32.3
137.13260	5.9
139.11240	4.2
143.84560	1.9
145.10138	15.7
147.11702	24.2
149.13275	49.6
151.14670	1.8
157.10159	4.7
159.11725	20.3
161.13255	22.5
163.14828	21.1
165.12782	2.3
173.13263	13.6
175.14854	14.0
177.16437	7.1
185.13293	3.1
187.14839	8.2
189.16377	18.5
191.17952	7.6
193.15926	2.0
199.14893	3.3
201.16411	7.2
203.17947	16.8
213.16331	3.3
215.18068	10.9
217.19553	17.6
227.17957	2.8
229.19537	9.0
231.21097	4.5
233.18971	2.3
243.21092	5.5
257.22760	4.6
269.22540	2.8
283.24210	3.5
286.63870	2.1
299.27435	2.3
317.17984	4.2
339.30496	29.3
357.31592	69.5
358.37106	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	357.1812
Annotation	Compactinervine
Peak:m/z	Relative Intensity
56.05023	2.1
56.96563	2.7
57.55946	1.2
60.08184	1.9
69.03437	2.9
69.72029	8.3
70.06598	21.3
71.08628	1.8
72.08154	5.5
79.05509	3.1
81.03406	1.6
82.06590	2.9
84.04508	2.7
84.08150	20.0
85.02916	5.7
86.06045	2.0
88.11271	10.8
89.11613	4.9
90.05556	1.6
93.05780	5.8
94.06606	3.4
95.01318	2.2
97.02921	3.5
98.20729	1.6
98.97576	4.8
103.05457	2.1
106.06576	11.9
107.07360	7.1
108.08124	3.9
109.02896	2.0
112.07621	1.4
118.06551	2.0
119.04934	2.5
120.08132	1.9
122.03662	3.0
122.06065	1.6
124.07599	4.4
127.03979	2.0
130.06538	35.2
131.04953	2.7
132.08096	2.1
134.09683	2.5
136.07617	2.9
137.05988	89.5
138.09171	1.3
141.01854	2.1
142.08643	3.5
144.08089	2.0
150.05545	3.9
151.09917	6.6
152.07115	2.4
152.10701	4.8
156.08136	3.1
163.07556	2.6
164.07036	2.6
164.10730	4.9
164.15959	1.5
167.07259	2.4
168.08020	1.9
170.08104	1.4
170.09662	1.9
178.12317	1.8
180.08055	3.9
181.08727	2.5
191.07246	3.2
193.08907	2.0
194.08148	2.3
194.09732	4.4
196.11316	3.0
204.08133	4.5
205.08896	3.6
206.09795	15.6
207.09189	6.7
207.11064	1.5
208.11252	4.7
221.10768	24.4
222.11423	12.0
223.12318	34.4
229.13376	4.2
229.15482	3.8
233.10707	1.8
235.12312	4.6
237.13864	3.3
239.11896	4.2
253.13177	2.8
254.10545	1.8
266.14105	4.7
267.11398	10.9
273.12357	16.6
279.14987	3.3
281.16498	63.6
285.12317	1.6
299.13794	2.4
307.14502	4.7
308.28473	1.5
313.19104	5.8
325.12112	3.5
325.15469	76.1
326.16226	7.5
357.01538	2.5
357.18127	100.0
357.24890	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2022
Annotation	Thiocyanatin A
Peak:m/z	Relative Intensity
53.03938	3.4
53.89026	0.9
55.01867	2.2
55.05502	3.5
56.05025	5.1
56.96561	1.4
57.03426	2.5
58.06582	1.2
67.05511	9.0
68.99792	1.4
69.03432	8.4
69.07088	5.3
69.95535	3.5
70.06586	1.3
71.04981	3.0
79.05490	6.0
81.03423	12.0
81.07064	25.9
83.04983	2.2
83.05640	1.4
83.06110	26.3
83.08610	1.9
84.04511	100.0
84.08151	1.3
85.02925	6.7
85.06529	1.5
91.05489	12.3
93.07060	5.8
95.04951	1.7
95.08607	6.8
97.02876	4.7
97.06543	2.1
97.10138	1.1
98.20785	1.1
98.45636	1.2
98.97572	1.9
99.04443	3.5
99.08100	1.5
101.07157	14.5
102.05556	14.7
104.08520	0.9
105.07041	14.4
107.04952	1.3
107.08594	7.3
109.02239	1.4
109.02893	18.8
109.06496	2.3
109.10136	2.9
111.04420	3.5
114.09161	1.4
115.05475	1.2
116.98605	1.2
117.03349	1.8
119.04946	2.0
119.08602	9.9
121.10161	10.6
123.04415	2.7
123.11721	12.8
125.02325	1.9
127.03933	14.4
129.05615	1.6
129.06604	48.2
130.05014	86.7
131.05025	1.0
131.08586	1.1
133.10120	2.7
135.04376	1.6
135.11710	1.5
137.05978	11.8
137.13252	1.4
145.02834	3.1
145.10109	2.4
147.04419	1.8
147.07661	36.3
147.11693	26.7
149.05968	1.4
151.03902	3.8
151.07523	1.2
153.01820	1.1
157.10120	1.2
161.05963	1.8
163.03854	1.1
164.07101	1.4
164.14259	1.4
165.12759	18.8
167.07030	2.0
175.07539	1.4
177.05501	5.4
182.15421	10.7
183.13800	2.4
193.12270	1.4
207.06654	1.7
210.14909	19.2
213.03912	1.7
215.06808	0.9
219.08020	1.8
223.07445	1.3
228.15964	15.7
229.14331	4.6
237.02760	1.0
276.15912	1.4
291.23337	1.2
293.18619	6.0
294.17093	7.7
303.23273	1.7
307.09772	1.3
312.17978	2.1
321.18130	23.0
339.12296	1.4
339.19107	6.2
340.17538	3.6
357.08127	3.5
357.13422	5.6
357.18823	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1183
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.29774	0.2
55.05478	0.2
56.96555	0.2
58.06601	0.2
58.79355	0.2
60.04523	0.2
64.35412	0.2
65.03927	0.2
69.03428	0.4
69.18500	0.2
69.18785	1.8
70.06591	0.8
72.08149	0.3
79.05518	0.3
81.03412	0.2
81.07079	0.2
84.08160	0.3
85.02911	0.9
86.09728	0.4
91.05498	1.3
93.07053	0.2
94.04169	1.1
95.01327	1.7
95.04956	0.2
97.02871	0.2
98.21460	0.3
98.97581	0.3
103.05458	0.6
107.04959	0.2
109.02901	0.3
113.02374	0.2
117.74834	0.2
119.04951	1.2
120.08069	0.2
122.03659	4.6
123.04434	0.2
127.03938	0.2
129.01855	0.3
129.10153	0.2
131.04924	1.0
137.05984	100.0
138.06323	0.7
141.01830	0.9
151.07536	1.1
163.07555	2.4
164.07050	0.5
167.48227	0.2
177.00845	0.2
177.03992	0.4
177.05457	0.2
181.08601	3.1
215.02817	0.2
223.12271	0.2
257.03986	0.2
272.04471	0.2
296.45612	0.2
339.04922	0.3
357.11505	0.3
357.15186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	CHEBI:69092
Peak:m/z	Relative Intensity
55.01878	4.7
55.95245	0.8
56.96556	0.9
65.03922	1.0
65.88174	0.9
67.01873	2.8
67.05504	1.9
68.99784	4.2
69.03415	1.7
69.06730	1.1
69.07077	17.5
69.78515	4.3
70.06581	1.3
78.30347	0.9
79.05473	1.9
81.07050	1.9
83.05003	1.1
83.98981	0.9
85.02904	1.8
87.03753	0.9
91.05457	5.1
93.07026	1.7
95.04952	0.9
97.02885	1.6
98.97571	1.4
105.07028	1.6
107.04980	1.8
107.08603	1.1
111.00842	2.2
111.04399	1.3
119.04948	14.2
121.06562	1.3
123.04436	6.7
127.02379	0.8
127.03916	3.5
133.06505	1.4
135.04425	1.9
139.03893	4.2
141.07021	0.9
143.04956	2.1
143.08669	1.4
147.04424	18.5
149.02281	0.9
149.05960	3.4
151.03914	2.8
153.01831	100.0
155.04837	1.4
157.06456	2.3
161.06020	3.7
163.03909	10.3
166.02551	1.6
167.08638	2.1
169.06519	1.1
171.02887	5.1
171.04230	1.2
171.08057	1.0
173.05980	5.0
175.03897	19.0
179.03404	53.4
179.10684	2.1
181.06516	2.6
185.05968	4.4
185.09694	1.0
187.07571	2.1
189.05486	8.7
189.09081	2.4
193.04967	9.2
195.08069	3.9
197.05939	2.4
199.03941	1.6
203.07172	1.2
205.12262	2.0
209.06021	2.7
213.05525	7.3
213.09085	5.8
215.07045	6.5
217.04958	1.2
227.07050	3.0
231.06648	4.1
231.10158	18.7
237.05473	8.7
241.05043	3.1
255.06540	10.9
255.09756	1.2
259.05948	1.2
265.04947	4.3
270.78268	1.0
273.07635	1.9
283.06021	75.8
284.06396	1.1
287.13278	1.2
289.07025	3.8
301.07053	21.3
321.11194	1.1
334.19351	3.4
339.12213	4.5
347.65887	1.3
357.13327	51.0
358.13617	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89434	0.9
59.39481	0.8
64.76763	0.9
67.13554	0.8
69.88139	4.9
81.03414	2.6
98.20901	1.6
98.97594	1.5
101.00897	2.5
102.94349	1.0
109.02876	3.7
113.00854	1.1
116.85754	0.8
116.86730	0.9
119.01925	2.4
120.95430	1.2
122.96876	1.3
134.96066	0.8
134.96973	3.4
138.96400	6.1
140.97960	2.4
143.01926	1.7
145.03505	1.9
147.01414	1.0
152.94490	1.0
152.97972	18.4
156.97490	21.9
157.03502	2.3
158.99895	3.0
161.02943	3.4
164.97922	1.0
170.99049	100.0
174.98572	6.0
176.97980	2.0
177.00978	6.9
178.99594	2.2
180.97507	10.8
182.33897	0.8
182.44887	0.9
182.99045	8.7
185.03011	2.4
189.00092	36.6
194.99043	26.4
196.96870	1.7
197.00615	37.4
198.00648	1.5
198.98547	25.2
201.00166	3.3
203.04102	2.2
204.97520	1.0
206.99010	1.3
208.98616	1.0
209.00606	28.9
210.98482	7.3
213.00104	85.7
214.00104	0.9
215.01653	20.8
216.99596	3.8
218.99037	2.3
219.02022	3.8
221.00691	1.7
222.98555	4.2
225.00148	6.6
227.01666	36.9
229.00288	3.9
231.01138	11.6
237.00089	22.9
237.02361	1.5
239.01697	2.7
240.99643	5.5
245.02942	1.6
251.01608	1.4
252.99646	3.9
255.01166	73.6
256.01349	1.9
259.00696	1.2
261.00134	1.2
261.03015	1.2
263.06226	1.2
272.99493	2.0
273.02246	7.3
278.02780	1.8
279.01187	4.3
283.00659	1.4
291.00293	2.8
296.99072	1.6
297.02222	17.7
301.01691	49.1
302.01913	1.2
315.00250	3.4
315.03351	18.0
319.02585	2.0
325.01733	1.0
333.04639	7.5
333.47818	1.0
339.03162	1.4
357.04340	59.8
358.04251	1.4
375.05411	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70601	7.0
55.05499	16.9
56.96557	9.6
61.02910	11.6
67.05487	22.8
69.19855	66.1
69.20267	18.2
71.04973	14.6
71.46604	8.2
72.06414	7.7
75.52422	8.0
79.05477	34.9
81.03393	9.3
81.07050	42.9
83.04976	20.1
83.08608	10.5
91.05463	20.1
93.07020	13.8
95.08591	21.8
97.06515	15.1
97.10149	13.6
98.21518	18.7
98.97588	17.6
102.30777	7.7
105.07031	15.7
107.08592	43.3
119.08593	12.7
121.10144	13.5
125.09612	28.0
137.05965	17.9
145.10095	10.5
154.92337	8.2
184.69853	8.2
189.11182	27.7
199.06464	8.5
221.30750	8.8
223.13341	11.3
275.20071	71.6
293.21075	100.0
311.22260	24.0
356.15002	16.0
356.18768	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	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43682	4.7
55.05522	6.2
55.71899	4.8
56.96553	5.7
60.95839	6.8
61.02925	10.5
61.57515	5.5
67.05502	16.7
69.03439	7.4
69.07068	21.1
69.86057	17.7
69.86476	10.8
73.02905	6.7
75.07898	5.4
76.51652	4.7
77.00901	9.3
79.05488	15.0
81.07048	19.4
83.08621	5.2
85.02903	14.9
86.09714	24.0
91.03936	6.7
91.05476	18.6
93.07034	14.1
95.01964	5.3
95.08594	12.0
97.02887	13.1
97.17522	5.3
98.21469	10.3
105.07029	11.3
107.08625	8.5
108.94493	5.8
119.04918	6.2
119.08589	7.7
121.06476	5.3
121.10172	5.9
121.27020	5.1
127.04018	5.5
127.92204	5.3
135.04410	6.7
137.05977	8.7
145.10179	6.8
146.11734	15.0
147.04393	12.5
151.07544	7.4
153.01831	60.1
163.03928	7.8
175.03923	11.1
177.07889	6.7
178.08704	7.0
179.03426	27.7
188.33412	5.6
193.04897	9.4
197.06178	5.9
207.05191	8.0
227.11295	8.1
230.19023	7.2
237.05537	6.4
255.06538	11.3
268.36258	5.3
275.19986	11.5
283.05945	39.1
300.05786	7.3
300.09399	18.4
300.89066	5.4
301.06967	10.0
306.12061	7.3
315.17984	24.2
333.19113	100.0
338.23267	8.7
347.65811	7.0
351.20035	13.5
356.18594	27.4
357.13235	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	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58986	12.8
56.96540	15.6
57.03438	15.6
67.05489	18.9
70.38774	12.8
70.39547	27.9
70.39873	20.0
71.59460	12.7
73.02903	15.0
79.05481	31.5
81.03389	12.1
81.07061	36.3
85.02903	29.7
88.53556	13.6
91.03969	17.5
91.05487	30.8
93.07033	13.5
97.02876	14.0
98.21500	16.5
98.97556	27.6
107.04942	15.4
111.27341	12.6
115.38585	14.8
123.04437	29.8
129.81935	13.4
137.06030	100.0
138.06326	32.3
140.73634	14.1
145.83873	12.4
230.88405	13.9
300.09598	30.2
301.13373	16.9
306.11789	15.1
333.19098	40.2
356.11667	18.4
356.15564	56.2
356.19400	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1493
Annotation	Romucosine C
Peak:m/z	Relative Intensity
56.96556	0.9
57.03423	0.8
58.18347	0.5
58.91089	0.6
67.05515	0.6
68.77676	0.5
70.54980	1.3
79.05460	0.8
79.11100	0.6
85.02879	0.9
91.05489	1.4
98.97587	1.6
101.02378	0.5
121.06444	0.8
136.27559	0.5
137.05991	0.9
142.08675	0.6
149.06017	0.8
179.08591	1.4
191.07338	1.2
206.09668	12.6
207.10406	0.8
211.06247	0.7
233.08401	1.1
234.09151	8.5
235.09819	2.1
236.10710	1.9
241.29234	0.6
249.07907	1.8
250.08629	14.3
251.09399	1.3
262.08685	2.4
263.09503	2.2
264.10205	97.6
265.10980	80.7
266.08878	0.8
266.11386	3.0
273.42719	0.6
292.09686	20.7
294.07791	1.1
294.11176	2.8
295.08426	1.7
309.10052	1.1
324.12308	100.0
325.12637	0.9
356.14963	16.8
356.19122	0.9
356.25180	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	356.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15786	1.8
53.03943	5.7
55.01859	6.7
55.05521	2.8
55.20312	1.8
56.96560	2.6
57.03440	4.8
61.02923	5.9
64.43536	1.6
66.31789	1.8
68.99795	2.4
69.03075	3.3
69.03439	43.7
70.06583	3.7
70.28081	5.7
71.04998	5.0
73.02919	5.7
73.06564	12.5
79.60598	1.7
81.03422	29.0
85.02910	100.0
87.00837	46.7
97.02895	28.4
98.97594	5.1
99.04443	9.7
101.06021	10.8
103.03984	3.0
105.01871	64.6
109.02890	29.0
110.07149	2.2
111.77087	2.0
127.03925	77.1
128.67662	2.1
129.01886	5.4
137.05969	9.7
145.04958	15.7
159.02927	6.0
161.77917	2.0
181.08636	5.0
189.03960	3.4
190.76659	2.0
199.09686	4.8
213.04012	4.7
231.05006	29.4
242.71338	1.8
249.06102	7.1
259.11777	2.2
271.74506	2.0
285.09726	6.7
303.10730	34.3
321.11905	5.0
324.13162	6.2
356.13190	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	356.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22079	0.2
52.19529	0.2
53.03930	0.3
55.01867	0.3
57.03420	0.4
58.06584	0.2
61.02911	0.5
64.14557	0.2
65.39780	0.3
67.05514	0.3
69.03437	1.9
69.90586	1.2
70.06565	0.6
72.08160	0.3
73.02911	0.4
79.05470	0.3
81.03400	0.9
84.04507	0.5
85.02906	4.8
86.09709	0.4
87.04445	0.3
90.98851	0.2
91.05476	5.0
95.04969	1.7
97.02885	1.1
98.97602	0.5
99.04440	0.3
101.02365	0.3
105.07007	0.3
107.04907	0.3
109.02863	0.6
110.07160	0.3
112.26299	0.2
113.58521	0.2
119.03481	0.4
119.04941	4.6
121.06483	1.2
127.03893	1.1
127.04761	0.3
131.38486	0.2
134.06052	0.4
135.04372	0.3
135.08028	0.4
136.05142	0.5
137.05972	1.8
140.07129	0.3
145.05016	0.4
147.06570	0.2
148.05217	0.3
149.05980	1.2
151.07544	22.9
152.07841	0.4
163.03773	0.3
165.05466	0.7
166.08688	0.3
175.07574	0.4
176.07071	2.2
177.05475	0.7
179.05753	0.5
194.08127	100.0
195.08469	1.1
218.08104	0.4
236.09207	0.8
270.46057	0.3
338.04153	0.3
356.05170	0.3
356.13379	1.6
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	Unknow
Peak:m/z	Relative Intensity
55.05515	19.4
57.03436	4.1
57.07065	12.8
67.05508	67.8
69.07070	25.4
69.17560	31.4
71.04980	4.4
71.08623	5.0
71.21825	2.6
79.05506	20.7
81.07062	80.3
83.08614	21.1
85.06554	4.0
91.05477	12.5
93.07045	26.9
95.08611	81.2
97.06515	8.4
97.10197	15.4
97.10774	3.4
98.21153	17.6
99.08062	6.5
102.82293	2.7
105.07012	13.1
107.08599	17.2
109.10165	44.1
111.11670	4.6
111.87048	2.8
119.08566	13.4
121.10143	25.4
123.11714	21.3
125.09618	4.7
133.10132	18.9
135.11673	17.6
137.13251	7.1
141.12787	3.6
147.11681	12.3
149.13246	11.4
151.14853	5.4
161.13315	15.9
163.14816	17.0
165.16422	10.4
167.14372	4.4
175.14803	9.7
179.17947	5.3
180.74968	3.0
189.16379	8.8
245.22658	58.9
263.23706	62.3
265.25458	3.7
305.11737	3.5
337.27390	34.9
355.24390	25.2
355.28214	100.0
355.32687	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	355.2846
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
55.05504	32.4
56.96548	8.9
57.03432	12.2
57.07072	16.6
59.39536	5.8
60.81345	5.8
61.02916	6.4
62.20305	5.5
67.05508	92.3
69.07079	44.5
70.13711	16.5
71.04981	6.0
71.08624	6.2
72.29894	5.5
79.05511	31.4
81.07064	100.0
83.08612	31.5
91.05474	28.8
93.07060	41.9
95.08607	100.0
97.02890	8.5
97.06519	9.2
97.10155	22.1
98.21424	6.6
98.97591	10.9
105.07005	12.2
107.08575	23.1
109.06536	7.4
109.10169	42.8
111.08096	12.9
111.11756	8.9
119.08569	17.2
121.06506	10.4
121.10140	24.9
123.11704	26.2
128.54553	5.1
133.10107	20.7
135.11696	15.1
137.05981	19.5
137.13226	10.6
147.11696	7.8
149.13281	8.3
151.07535	18.2
160.57210	7.3
161.13261	19.1
163.14851	8.7
170.84584	5.6
177.09084	21.3
189.16373	6.5
201.09099	9.6
229.07617	38.7
230.07784	10.6
245.22632	54.9
247.08519	15.4
248.09109	8.1
263.23740	59.8
284.10355	10.6
305.11758	31.2
307.09598	7.5
323.12915	7.6
337.14352	11.3
337.27438	36.3
355.15839	28.6
355.28452	13.4
356.35165	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.17781	1.6
51.11717	1.4
55.05515	30.4
57.03442	8.1
57.07071	15.1
59.05003	1.9
65.03947	2.4
67.05508	83.4
69.07072	39.7
69.83437	6.6
71.04977	4.2
71.08630	7.6
79.05064	1.9
79.05499	25.2
81.07060	100.0
83.04943	1.9
83.08624	32.7
83.77416	1.5
85.10168	2.9
88.89473	1.6
91.05479	20.4
93.07052	29.0
95.08611	91.0
97.06554	10.3
97.10178	20.1
99.08089	3.8
100.72511	1.5
103.03954	2.1
105.07034	16.4
106.92530	1.5
107.08600	26.2
108.70212	1.4
109.10163	53.3
111.08083	5.7
111.11680	7.4
113.09634	2.1
119.08592	15.9
120.80704	1.6
121.10150	28.3
123.08096	3.0
123.11729	26.0
125.09627	2.8
129.05493	3.4
133.10138	19.1
135.11711	16.5
137.06013	2.1
137.09644	2.6
137.13246	11.9
141.12735	2.8
147.11673	13.4
149.13263	15.2
151.11212	2.3
151.14801	8.1
153.12718	2.5
155.14346	1.9
161.13248	17.0
163.14844	12.3
165.16350	8.8
166.13223	1.4
175.14824	11.4
177.16315	1.8
179.17990	6.6
181.15909	2.6
189.16412	7.2
194.03783	1.8
203.18024	2.0
207.17477	2.3
245.22655	51.8
247.24121	1.8
263.23727	52.4
265.25049	2.1
305.11624	1.8
307.76431	1.9
327.75800	1.5
337.27396	38.1
355.15759	2.2
355.28293	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	355.1542
Annotation	Bolucarpan C
Peak:m/z	Relative Intensity
55.01860	0.6
67.05509	0.4
68.99791	1.2
69.03403	0.3
69.88062	0.4
69.88477	1.3
77.03946	0.4
79.05503	2.5
83.01342	0.7
83.21668	0.3
91.05480	1.3
93.07060	0.3
95.04964	1.0
103.05476	3.0
105.03408	0.4
105.07053	0.7
107.04971	2.0
109.06503	0.3
111.00802	1.2
115.05450	0.3
118.91571	0.4
119.04983	0.5
121.06510	3.4
123.04415	2.3
131.04938	2.5
133.06497	0.3
135.04422	29.4
137.05968	4.5
141.05476	5.5
145.06516	0.5
147.04408	3.1
149.06003	3.2
151.03886	1.5
153.05476	16.6
154.07884	0.3
159.04424	10.6
160.05162	0.4
161.05992	3.8
162.03154	0.5
163.03932	1.3
165.05524	4.5
165.06888	0.7
167.03430	0.5
171.04565	0.5
173.06017	0.6
174.06769	0.5
175.03912	2.4
177.05496	3.6
178.06262	6.7
183.08148	0.4
185.05939	0.7
187.07573	1.3
189.09151	1.7
191.07021	0.7
191.10680	13.3
193.05029	0.8
194.98898	0.3
197.05951	0.8
197.09816	0.3
198.06758	0.4
199.07570	1.1
201.05489	0.6
201.09142	0.8
205.12157	0.4
209.34354	0.3
210.06781	0.7
211.07585	1.8
213.05525	1.2
214.06282	0.6
215.07016	3.6
215.10527	0.6
215.37596	0.3
225.05449	0.8
225.09142	0.4
227.03195	0.4
227.07042	0.7
228.07770	1.1
229.08647	1.3
238.06293	1.3
239.06909	0.9
241.04991	0.4
242.05811	0.4
243.06471	0.4
243.10205	1.3
245.08098	0.4
251.07080	0.6
253.08597	1.4
256.07367	2.2
257.08069	1.5
266.05777	1.0
267.06488	2.0
268.07278	0.7
269.04504	2.1
269.07974	0.8
271.09622	3.7
281.08124	1.6
282.08853	0.8
283.06006	1.2
284.06815	5.3
299.09152	100.0
300.09467	1.8
355.15396	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	355.154
Annotation	(-)-Aristotetralone
Peak:m/z	Relative Intensity
52.14591	0.5
53.03940	1.4
55.01868	1.4
59.52620	0.5
65.03931	0.7
69.07072	2.7
70.94569	1.1
70.94894	0.6
77.35857	0.5
79.05499	4.8
81.07072	0.7
89.24059	0.4
91.05476	3.0
93.03394	0.9
93.07019	1.0
95.04967	1.1
103.05447	1.0
104.46381	0.5
107.04955	10.9
109.06518	0.9
119.04948	2.9
121.02878	0.7
121.06516	3.0
122.03633	0.9
123.04437	10.0
125.06012	3.0
134.03654	0.5
135.04410	1.7
135.05519	1.8
137.05983	100.0
143.24788	0.5
145.06444	0.6
146.99448	0.5
147.04398	7.7
149.02333	6.1
149.05975	2.9
150.06821	0.7
151.03905	3.9
151.07527	1.6
153.05475	7.2
159.04355	1.6
161.05989	2.7
163.03918	1.9
163.07579	1.0
165.05499	1.1
165.06944	0.5
167.03409	2.6
174.02745	0.5
175.03925	14.1
177.05453	1.0
177.09154	0.6
183.08005	0.6
187.07547	2.0
189.05492	0.7
193.04900	1.0
199.07587	0.7
200.87880	0.5
201.09166	0.9
203.10667	1.0
205.08621	1.5
210.06744	0.9
211.07549	1.7
213.09151	0.7
215.10732	1.4
217.08438	0.6
225.09088	1.9
227.07106	1.0
231.10175	9.9
240.07710	0.8
243.10152	1.2
253.08644	2.4
267.65924	0.5
269.08090	14.2
270.08456	0.5
271.09647	18.7
281.08051	0.7
299.09140	20.3
317.17819	1.0
318.17947	0.7
327.15875	3.9
337.14276	1.0
337.25681	0.9
355.15372	52.6
356.15848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1178
Annotation	(+)-EI 1507-1
Peak:m/z	Relative Intensity
55.01871	1.9
55.05495	3.3
55.76074	1.0
56.96558	1.1
57.03440	1.2
65.03932	1.3
67.05493	2.1
69.03414	3.2
69.07062	2.0
70.06574	2.8
71.57154	1.3
73.04755	1.6
79.05499	2.2
81.03407	2.8
81.07045	4.3
83.04926	1.7
84.84527	1.0
85.02897	2.1
91.05466	11.3
93.07029	2.9
94.04183	2.3
95.04952	4.9
95.08641	2.3
97.02929	1.7
97.06545	1.4
98.97575	3.4
99.04480	1.7
102.04636	1.1
103.05498	1.5
105.07025	5.0
107.04955	4.2
107.08593	2.4
109.06483	2.6
109.10174	1.3
111.04429	1.2
115.05450	4.6
115.06200	1.1
117.07037	2.5
119.04965	5.8
119.08566	1.9
121.06487	2.8
121.10165	2.0
122.03597	6.5
124.05230	1.8
127.03954	1.5
128.06209	1.3
129.07054	1.2
129.09218	1.0
130.04092	1.9
131.08549	1.2
133.02856	1.5
133.06462	1.2
133.10109	2.4
135.04428	1.9
137.05981	60.2
145.06499	5.3
145.10136	1.6
146.03636	2.7
147.04436	5.6
147.08087	1.9
149.05981	4.6
150.06773	2.5
151.03877	4.2
151.07529	3.3
158.03618	6.1
161.05981	7.7
162.03035	1.2
162.06734	3.1
165.05505	2.1
165.06985	1.9
167.07057	2.8
173.05995	10.4
175.03896	6.4
175.07593	2.4
175.14845	2.2
177.05463	4.6
177.06947	2.6
177.09084	2.2
178.07816	5.0
179.07048	2.9
180.07782	2.7
181.06511	1.7
185.06007	1.9
186.03136	7.0
189.05473	1.6
189.06894	5.5
194.07240	1.8
195.08086	1.2
201.05476	100.0
205.04913	1.8
205.06538	9.9
206.07312	6.7
207.08112	1.3
213.05455	6.4
217.06526	4.1
218.07259	3.3
219.08057	1.6
220.05211	2.0
221.05939	2.0
222.06757	5.1
231.06281	5.4
233.05974	7.6
234.06776	23.7
235.07565	7.3
237.09114	3.9
245.05956	4.5
246.06770	2.3
247.07532	2.9
248.08179	1.6
249.05518	3.3
249.09171	6.7
250.06265	4.1
251.06996	5.7
259.07587	2.5
261.05472	4.0
262.06274	21.9
263.06995	5.9
265.08582	7.1
266.09344	1.9
273.05472	6.9
274.06189	2.4
276.07669	3.0
277.08594	22.5
278.05981	1.2
279.06570	3.6
279.09949	2.2
280.07394	2.2
281.08194	1.3
283.06006	2.2
287.06961	2.2
290.05777	27.1
290.08890	1.0
291.06406	1.9
292.07248	4.7
293.08017	8.9
294.08856	3.5
295.09692	3.4
297.07825	1.4
297.11304	2.1
304.07394	1.5
305.08121	55.2
305.11624	3.7
306.08691	2.2
307.06027	3.3
307.09625	7.8
309.07751	1.6
309.11121	4.2
310.08203	1.4
319.09601	6.1
322.08301	3.8
323.09052	6.2
323.12570	2.0
325.10724	18.4
327.11984	1.7
331.09543	2.4
337.10712	64.0
355.07852	3.3
355.11752	11.1
355.15570	2.4
367.68866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1181
Annotation	Seitomycin
Peak:m/z	Relative Intensity
55.05519	2.2
56.96571	1.7
57.68639	1.2
65.03929	1.5
67.05497	2.5
69.03415	1.5
69.07088	2.0
69.23193	12.5
69.67365	1.1
70.24567	1.1
78.04743	1.2
79.05495	3.6
81.03407	2.8
81.07049	5.0
84.04463	1.1
85.02917	2.1
91.05479	8.7
93.07041	2.8
94.04194	2.8
95.04973	2.1
95.08628	3.4
97.02920	1.7
98.20783	2.9
98.97601	2.2
103.05470	1.5
105.07051	4.3
107.04943	3.6
107.08564	2.2
109.02865	1.3
109.06535	2.8
109.10169	2.4
110.71561	1.2
111.04449	2.9
115.05450	3.5
117.07037	3.0
119.04946	3.6
119.08574	2.9
121.06510	3.3
121.10129	1.5
122.03646	10.8
123.11623	1.8
125.05985	1.8
130.04155	1.6
131.04976	2.5
133.06506	3.5
137.05991	87.7
143.00182	1.4
143.04929	2.4
145.06502	6.3
146.03670	1.5
146.07259	1.3
147.04431	5.8
147.08066	1.6
147.11676	1.7
149.05980	4.1
151.03915	5.7
151.07564	4.6
153.05478	1.6
158.03644	6.6
161.05992	8.3
162.06763	2.5
163.07451	1.7
163.09625	1.3
165.05521	1.9
165.06921	1.9
167.07083	4.2
170.03615	2.1
173.06006	11.9
175.04027	2.3
175.07587	9.8
175.14789	1.7
177.05493	2.4
177.06898	2.7
177.09099	3.0
178.07820	5.7
179.07098	1.6
179.08586	1.5
181.06482	1.4
184.14005	1.2
185.06026	2.6
186.03093	6.6
187.07536	1.8
189.05469	2.5
189.07028	5.3
189.08606	1.2
191.08572	1.7
193.08675	2.1
194.07285	3.0
195.08104	2.3
201.05484	100.0
202.07767	2.0
203.06995	1.9
203.08685	2.6
205.06497	13.3
206.07309	11.2
207.06392	1.8
207.08177	3.0
210.06673	1.2
211.07417	1.6
213.05492	7.3
216.05823	1.4
216.07785	2.1
217.06534	4.8
218.07361	6.1
219.08084	4.7
220.05190	3.0
221.05965	3.8
222.06749	6.9
223.07600	3.2
231.06514	3.9
233.06024	8.9
234.06773	36.2
235.07593	11.7
236.08377	5.6
237.05577	1.9
237.09116	6.0
239.06981	2.3
244.05263	1.4
245.05923	7.1
246.06750	1.7
247.07587	4.8
248.08437	1.9
249.05507	4.0
249.09108	10.9
250.06393	7.4
251.07100	8.1
251.10596	1.6
252.07773	2.4
254.09389	1.7
259.07516	3.6
261.05521	5.8
261.09357	1.9
262.06290	28.9
263.07034	7.5
264.07797	4.2
265.08582	11.7
266.09375	3.6
267.06573	4.0
267.10104	1.6
269.11694	2.1
271.39462	1.6
273.05466	9.2
274.06317	4.6
275.07074	1.7
276.07944	3.0
277.08609	32.4
278.05859	2.7
279.06546	6.5
279.09808	2.2
280.07321	4.4
282.08981	2.5
283.06012	1.6
284.10349	1.8
285.11234	1.6
287.06982	4.1
287.44370	1.4
289.04938	2.9
290.05765	41.3
290.08755	1.4
291.06662	2.6
291.10196	4.1
292.07257	6.0
293.08093	11.9
294.08856	5.3
295.09595	8.7
297.11258	4.1
304.07672	1.4
305.08136	75.7
305.11523	4.2
306.08554	2.8
307.05972	4.0
307.09650	10.9
309.11142	7.5
310.08496	3.6
319.09479	6.4
322.08353	6.9
323.09033	4.7
323.12564	1.9
325.06888	1.7
325.10770	36.4
327.12189	1.6
337.10730	99.5
338.11136	2.2
355.07657	3.3
355.11807	14.6
355.15659	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	355.1178
Annotation	(+)-EI 1507-1
Peak:m/z	Relative Intensity
54.75397	0.2
55.01867	0.4
55.05516	0.4
55.36213	0.2
56.96566	0.3
57.03432	0.3
67.05519	0.3
68.99799	0.5
69.07053	0.3
70.21445	0.3
70.21791	0.9
73.06517	0.3
79.01859	4.2
79.05500	1.5
81.03413	0.3
81.07064	1.2
89.03910	0.4
91.05489	1.8
93.07047	0.4
96.57758	0.2
98.32355	0.2
103.05495	0.3
105.03385	0.3
105.07043	1.3
106.30946	0.3
107.04957	4.6
115.05450	0.5
117.07039	0.7
119.04943	1.4
119.08603	0.4
121.02896	0.9
121.06496	0.5
123.04411	0.3
126.04426	0.4
129.07019	0.4
131.04953	0.7
133.02869	0.4
133.06532	0.5
135.04425	8.4
137.05969	0.9
141.07021	0.3
144.05615	0.4
145.02856	1.2
145.06509	1.8
146.06020	0.3
146.07243	0.3
147.04378	0.4
147.08018	0.4
149.05989	0.5
151.07550	0.3
153.06966	0.4
157.06488	0.8
158.69188	0.3
159.04482	0.5
160.05211	0.4
161.05936	0.3
163.03932	0.7
165.01843	0.4
165.06989	0.3
169.06509	0.6
171.04428	0.9
172.05205	0.4
173.06007	1.1
175.03958	0.6
175.07562	1.8
176.04715	1.2
177.05499	0.5
177.09132	0.4
181.06580	0.4
184.07445	0.3
185.06001	0.8
187.03928	0.6
187.07620	0.4
189.05487	0.7
191.03342	0.6
197.05997	0.9
197.09668	0.4
198.06827	0.6
199.03879	0.3
200.04686	3.3
201.05438	3.2
201.09116	0.4
202.07788	1.2
203.03421	1.2
205.05013	0.5
211.07581	0.6
213.05441	0.8
217.10059	0.3
219.06429	2.2
219.08377	0.4
220.08882	0.9
221.09721	0.4
226.06303	0.5
228.04185	1.6
229.04878	0.4
231.08153	0.5
231.14343	2.0
231.64658	0.3
233.31117	0.3
235.11243	0.6
238.06175	0.4
239.07085	0.8
241.04973	1.0
245.09630	2.3
247.07561	1.1
248.08290	1.8
253.08502	0.3
255.06563	0.7
256.07358	0.7
258.06796	0.4
259.05908	2.1
260.03165	0.9
262.09750	0.3
263.10632	2.2
267.06534	1.2
273.09128	0.6
275.14999	0.3
276.07898	2.2
277.08591	1.2
279.06342	0.4
281.11676	0.6
283.06027	25.1
284.06815	2.0
284.09894	0.4
285.11319	0.3
290.09201	0.4
291.10138	2.3
293.08115	1.1
295.06201	0.4
295.09497	0.4
297.07483	0.4
301.08658	1.1
303.06604	0.5
304.07315	1.1
305.08197	3.0
305.11642	0.5
307.06006	0.7
308.06787	0.7
309.07639	0.4
309.11108	0.7
319.09662	17.5
321.07596	20.8
322.08359	7.9
335.09271	0.4
336.06360	1.2
337.10712	100.0
338.11066	1.1
355.11768	69.3
356.12085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1177
Annotation	Ficuisoflavone
Peak:m/z	Relative Intensity
55.01864	0.4
55.05502	0.4
56.96544	0.9
57.03421	0.3
67.05490	0.8
68.89132	0.3
69.03423	0.6
69.07061	0.3
70.86297	0.3
70.86623	0.5
73.02914	0.5
79.01405	0.7
79.01853	9.9
79.05469	1.0
81.07029	0.9
85.02888	0.6
91.05471	2.4
92.05785	0.5
93.07027	0.3
95.08585	0.6
97.02881	0.5
98.97578	0.5
105.07017	0.8
107.04912	1.1
107.08543	0.4
109.02828	0.3
119.04908	0.9
120.79050	0.3
121.02860	0.4
121.06474	0.7
123.08118	0.3
129.07019	0.5
131.04930	0.6
131.08566	0.4
133.10098	0.3
135.04446	1.5
137.05983	3.1
138.06303	0.8
142.31154	0.3
145.02811	0.4
145.06435	0.5
147.01160	0.3
147.04433	0.5
147.11658	0.4
149.06021	0.4
151.03964	0.3
151.07599	0.5
157.06458	0.9
159.11742	0.3
165.01790	0.3
173.05922	0.5
175.07544	0.6
177.09108	1.1
179.03423	0.6
185.05984	1.4
197.05936	0.3
198.06660	0.4
199.07590	0.5
201.05577	0.7
213.05496	2.5
218.19029	1.7
219.06438	0.7
219.19339	2.1
219.60428	0.3
239.07137	0.4
241.04974	1.9
241.08583	0.5
245.06978	0.6
245.09354	0.3
255.06573	1.2
256.07324	0.6
259.05997	5.8
264.10175	0.6
265.11102	0.5
267.06509	0.7
275.10730	0.3
283.06012	62.5
284.06677	2.6
291.10065	0.6
297.07544	3.5
305.08224	0.7
305.11667	1.2
319.09723	3.9
321.07465	2.8
322.08221	1.5
324.12247	0.9
336.06006	0.3
337.10678	15.8
337.14008	0.6
355.11746	100.0
355.24142	4.9
356.11945	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1177
Annotation	Platanetin
Peak:m/z	Relative Intensity
51.25853	0.2
55.01876	10.5
68.99794	2.2
70.48359	0.8
79.01875	1.7
91.05456	0.4
93.88631	0.2
97.02868	0.3
105.07024	0.4
107.01294	0.3
107.04922	0.8
117.06978	0.7
121.02876	0.2
123.00796	2.9
123.04442	0.6
124.18237	0.3
127.30779	0.3
129.07028	0.4
131.04906	0.6
135.04372	0.8
137.02342	0.9
141.01790	0.4
145.06485	1.0
147.04439	0.3
149.02354	0.5
159.04372	1.1
161.02354	10.3
161.05981	0.4
165.01846	18.8
169.06430	0.3
171.04478	0.6
173.06006	1.9
177.05527	0.3
179.03339	0.3
183.02888	0.8
183.54210	0.3
185.02284	0.3
185.05927	0.6
187.03871	0.4
189.05533	0.4
197.05984	0.9
201.03763	0.5
201.05492	6.0
213.05521	1.5
214.66241	0.3
215.07063	0.6
225.05493	1.1
227.03392	11.5
229.04977	13.3
243.06525	0.9
253.05003	1.4
255.03500	0.3
257.04395	1.6
271.06012	0.9
281.04462	1.9
285.11099	0.4
299.05508	100.0
300.05930	1.1
355.11768	88.4
356.12082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92852	0.7
55.05513	1.0
56.96562	2.4
61.02933	1.2
62.82169	0.6
67.05515	0.8
69.03416	2.2
70.06567	1.8
70.42535	0.8
71.56555	0.8
73.02920	1.4
73.04762	1.5
73.06540	1.4
73.38432	0.7
75.85936	0.7
80.05016	0.7
84.08135	1.5
84.96032	0.7
85.02917	3.7
86.09724	1.4
86.24962	0.8
89.06048	1.2
91.05795	3.1
96.30970	0.7
97.02902	1.8
98.97576	3.2
108.79553	0.7
110.06042	1.5
110.97554	1.5
112.99147	0.9
116.98628	1.5
119.04926	1.0
120.08092	0.8
121.06477	1.2
122.06003	1.0
125.77629	0.7
126.05473	1.6
127.03951	1.7
128.98692	0.9
131.04922	1.0
135.04439	0.8
136.07587	3.7
137.05997	3.0
140.08258	0.7
146.07263	1.2
147.04411	0.8
149.06017	1.5
150.05299	0.9
151.07581	2.2
158.99773	0.8
163.03931	2.2
164.07074	9.5
165.05554	1.1
176.43198	0.6
177.01723	1.1
177.05583	0.7
177.09152	1.9
182.08109	6.6
185.04274	2.5
187.03908	0.7
192.03928	11.5
193.04816	6.9
194.97496	1.0
201.09093	0.7
219.01698	1.1
223.12302	1.5
237.02855	3.1
246.10663	0.9
252.97940	1.3
268.97952	0.8
269.08200	1.3
278.99606	0.8
283.10645	1.3
284.10468	2.0
285.01031	1.2
285.11346	1.0
295.13287	0.8
305.11850	3.2
306.12683	1.2
319.12903	0.9
323.12753	1.2
324.08115	3.2
337.14285	2.1
355.01202	4.3
355.10059	100.0
355.15338	5.5
356.10217	1.1
359.09372	1.0
377.17569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2429
Annotation	Levomethadyl acetate
Peak:m/z	Relative Intensity
56.96566	0.7
62.47987	0.4
65.03921	1.5
67.05489	0.8
69.03427	0.7
69.07054	0.7
69.71626	2.9
79.05482	1.4
81.07050	2.2
85.02878	0.6
91.05487	39.9
92.05740	0.5
93.07043	1.0
95.08606	1.0
97.02893	0.6
98.97564	0.9
105.07060	0.9
107.08607	0.9
109.06532	2.6
109.10189	0.5
110.97648	0.6
118.06553	5.3
119.04951	22.6
132.08055	1.5
133.08897	1.0
137.05988	56.4
146.09647	4.5
151.07570	0.7
151.22949	0.4
153.12703	0.5
160.11240	0.7
163.11375	0.5
177.07764	0.5
199.77463	0.4
218.19052	64.7
219.19476	0.9
248.95253	0.5
269.10651	0.7
277.21741	0.5
294.24374	1.7
299.62799	0.6
305.11765	0.9
313.05371	0.5
322.10806	0.6
337.14386	0.6
354.24280	100.0
355.24591	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59473	1.6
55.05524	2.0
55.22966	1.5
56.96571	26.3
59.37935	2.1
61.08344	1.8
69.03431	2.7
69.61485	9.7
70.06604	3.5
73.04758	3.2
81.03426	3.3
82.06599	1.8
83.40543	1.6
84.04507	1.7
84.08138	2.0
84.59647	1.7
84.96041	14.0
85.02915	7.4
86.09708	3.8
87.00835	1.9
91.05839	8.6
97.02908	3.8
98.21553	2.8
98.96931	3.8
98.97585	70.9
110.06051	8.1
110.97569	42.2
112.99146	7.2
115.05394	1.5
116.98623	25.2
121.06495	2.0
126.05527	3.3
127.03897	3.8
128.98613	40.6
131.00175	5.6
131.04927	2.3
134.99684	4.9
136.06195	3.5
136.07596	21.4
137.06020	8.7
140.00185	2.0
140.98575	3.2
143.00183	5.7
144.98091	1.8
146.07281	2.2
146.99649	17.6
149.01192	1.9
149.05960	3.5
151.07501	2.8
152.07118	2.5
158.99690	4.1
161.01253	7.4
161.02966	1.3
163.04012	1.7
164.07072	38.5
165.00713	1.7
165.99457	2.0
170.99670	6.4
177.00711	4.7
177.05504	2.1
177.09114	4.1
178.02567	2.5
179.00183	2.0
181.01794	4.6
182.08141	32.1
189.00737	4.4
193.01730	2.3
193.04991	7.4
197.01250	7.6
199.02768	2.1
201.00725	7.7
206.05783	3.9
211.02846	6.9
219.01764	76.3
227.02292	1.9
229.03882	7.9
237.02835	100.0
238.03534	1.9
242.03386	2.8
253.03790	2.9
255.03915	5.2
260.04425	2.2
284.10449	5.5
285.00998	3.6
295.04724	2.7
295.13339	2.4
305.11700	6.0
307.04904	6.5
319.12912	3.6
325.05957	18.4
337.14316	4.2
343.07077	6.8
355.00928	2.9
355.06976	54.7
355.15659	5.8
373.08023	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	354.1188
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03947	0.4
55.01861	0.4
56.96558	0.5
57.03436	0.8
61.02933	0.7
61.63579	0.3
67.05492	0.7
69.03428	2.2
70.06250	0.5
70.06600	6.3
71.05000	0.4
71.56568	0.6
72.08186	0.4
73.02918	0.9
81.03415	0.9
84.04501	1.0
84.08144	1.0
85.02912	3.4
86.00623	0.4
86.09698	1.1
87.04453	0.9
91.05473	2.7
94.06567	4.0
95.04959	0.9
97.02879	1.6
98.97585	1.4
99.04434	0.5
105.03369	0.7
106.06531	0.3
107.04945	0.5
108.08122	0.4
109.02869	0.7
110.07115	0.4
116.07131	2.0
117.05770	0.6
118.06556	5.3
119.04958	0.8
121.06503	1.2
122.06062	4.1
122.06859	0.5
127.03927	1.3
128.98637	0.5
130.05026	0.5
130.06587	0.5
131.04987	0.5
134.06021	1.0
136.07590	0.7
137.05983	1.4
144.26582	0.4
145.04916	0.5
146.06015	16.3
147.04433	1.2
147.06786	0.6
150.05476	1.2
162.05496	1.1
164.07077	6.1
174.05521	100.0
175.06046	1.0
176.07045	1.1
192.06572	49.9
192.10249	1.1
194.09668	0.7
204.10321	0.4
205.10600	0.6
208.09877	0.5
210.12683	0.4
219.01801	0.5
221.10762	1.5
222.11168	0.5
223.12302	4.0
224.12564	0.7
239.02484	0.4
255.15001	0.6
336.10709	0.9
354.11868	54.6
365.05783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24982	1.1
53.03945	2.2
55.05505	8.1
57.03425	3.3
57.07069	4.3
65.03928	1.8
67.05507	61.0
69.07068	9.9
71.04980	1.5
71.08620	1.3
79.05491	30.7
81.07059	63.0
83.08634	5.7
85.06522	3.4
91.05476	14.4
93.07046	38.0
95.04978	1.9
95.08607	46.1
97.06542	2.8
97.10162	3.0
98.20733	3.0
99.08092	2.5
105.07037	13.0
107.08597	28.6
109.10163	29.4
109.80434	1.1
111.11739	1.3
113.09608	2.4
117.07005	6.6
119.08597	10.4
119.76603	1.1
121.10140	25.1
123.08089	1.3
123.11705	17.0
127.05386	1.0
131.08545	15.7
133.10127	10.4
135.11696	21.9
137.09560	1.0
137.13245	6.3
139.11200	2.2
145.10123	15.0
147.11716	8.8
149.13258	16.2
149.21344	1.1
151.11218	1.3
151.14810	3.4
153.12807	1.5
159.11719	14.0
161.13229	10.1
163.14821	11.5
165.12790	1.7
173.13272	14.8
175.14851	3.6
177.16362	6.2
184.72916	1.0
187.14850	8.7
191.14215	1.2
201.16379	2.0
205.15717	1.7
215.18018	1.4
219.17442	2.1
233.22646	4.0
241.74738	1.4
243.21101	28.0
261.22150	100.0
261.79828	1.2
262.22324	1.5
263.23575	1.7
279.23166	3.9
335.25735	9.6
337.72198	1.3
353.26865	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01862	0.9
55.05513	12.0
57.03423	3.1
57.07064	4.0
64.03369	0.8
65.03938	1.8
67.05508	72.1
67.55070	0.9
69.07069	12.4
71.04988	2.4
71.08609	1.7
79.05493	39.5
81.07059	82.2
83.04987	1.7
83.08630	6.6
85.06545	2.1
91.05477	18.2
93.07045	57.4
95.04953	2.0
95.08607	61.1
97.06528	2.2
97.10157	2.4
98.21577	1.9
99.08087	1.8
105.06376	1.7
105.07033	18.7
107.08595	38.1
109.06578	1.5
109.10159	33.3
111.08101	1.5
113.09693	1.0
117.07043	7.2
119.08582	14.9
121.10141	35.1
121.20527	0.8
123.11706	17.3
125.09629	1.9
131.08566	18.8
133.10136	13.0
135.11693	26.7
137.09666	1.3
137.13255	6.7
141.05882	1.0
145.10117	13.9
147.11693	11.0
149.13268	17.6
151.14836	3.0
153.12743	1.2
155.99129	0.8
159.11693	13.9
161.13249	10.3
163.11285	1.2
163.14825	14.3
165.12811	1.7
172.31902	0.8
173.13281	13.9
175.14847	3.0
177.12793	1.6
177.16415	5.5
179.14307	1.8
179.33624	0.8
187.14845	8.7
191.14227	1.0
201.16432	3.1
205.15898	2.0
211.74541	0.8
219.17467	1.0
233.22716	2.9
240.12340	0.9
243.18552	0.9
243.19128	0.6
243.21086	29.2
261.22144	100.0
262.22632	1.6
263.23709	1.3
279.23248	3.3
325.54611	0.9
335.25711	8.9
353.26886	37.3
361.92776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	1.7
55.05519	12.0
57.03430	6.0
57.07055	4.4
61.78826	1.5
62.66301	1.7
65.03933	2.6
65.71562	1.7
67.05509	93.6
69.07073	11.4
71.04976	3.2
71.08626	1.9
71.24533	2.7
79.05499	37.7
79.05951	2.8
81.07063	96.7
83.08611	7.3
85.06533	4.2
91.05483	17.1
93.06477	3.0
93.07049	55.9
95.04982	1.9
95.08614	77.0
97.06536	2.3
97.10166	3.2
99.08116	2.1
105.07016	16.1
107.08611	34.7
109.10162	41.8
117.07020	6.5
119.08591	11.6
121.10150	29.8
123.11720	18.8
131.08583	18.1
133.10144	12.3
135.11696	26.1
137.13240	7.0
142.42545	1.8
145.10132	14.6
147.11710	10.8
149.13257	20.8
151.14732	1.9
159.11697	15.3
161.13315	10.7
163.14799	10.7
165.12796	2.1
173.13237	13.9
175.14792	2.7
177.16382	6.7
179.14281	2.5
187.14806	8.9
201.16339	3.2
205.03981	1.7
215.17784	2.1
229.07903	1.8
233.22595	4.7
237.19089	1.6
243.21104	27.4
250.62598	1.8
261.22165	100.0
262.22617	1.9
279.23123	6.9
335.25879	18.1
336.13068	2.0
353.26953	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42650	1.0
53.03938	2.1
55.01886	1.1
55.05517	13.6
56.96558	2.5
57.03434	4.1
57.07074	6.7
65.03957	1.6
67.05506	83.8
69.03437	1.4
69.06778	1.1
69.07072	11.8
69.48845	6.9
71.08617	3.3
73.02911	1.5
79.05495	51.3
81.03432	1.4
81.07059	87.7
83.04977	1.5
83.08620	8.1
85.02906	1.7
85.06530	3.9
85.10175	1.2
91.05483	25.5
93.07048	71.4
95.04965	3.9
95.06369	1.0
95.08610	67.0
97.02869	1.5
97.06543	3.0
97.10147	3.8
98.21481	2.0
98.97588	1.6
99.08095	3.8
105.04563	1.3
105.05476	1.1
105.07037	19.9
107.08599	41.4
109.10167	26.9
111.08073	2.1
113.09628	3.6
117.07018	11.2
119.08586	14.2
121.10147	35.0
123.08048	2.4
123.11714	13.2
131.08572	25.5
133.10133	9.8
135.11691	27.8
137.09592	1.2
137.13237	6.2
145.10120	17.9
147.11681	10.4
149.13263	24.6
149.14368	2.0
151.14804	4.5
153.12720	1.5
159.11703	13.6
161.13271	13.3
163.11119	1.8
163.14803	16.8
165.16481	1.4
167.14310	1.3
173.13254	15.1
175.14836	3.8
177.12830	2.2
177.16383	7.2
179.14226	1.3
187.14845	12.2
191.14296	1.8
201.16357	3.2
205.15863	3.0
215.17876	1.7
219.17461	1.3
233.22655	8.7
243.21092	41.8
261.22153	100.0
261.60349	1.1
262.22437	1.8
263.23798	1.6
279.23190	2.3
325.07120	1.3
325.87933	1.5
332.15677	9.9
332.65982	5.2
335.25845	8.2
353.06476	1.1
353.15109	1.2
353.27121	9.9
354.33432	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03951	2.6
55.05516	14.6
57.03437	5.8
57.07072	4.1
65.03931	1.8
67.05509	94.7
69.07067	13.8
69.26827	5.4
69.27253	5.2
71.04998	2.0
75.04484	1.4
79.05499	43.6
81.07062	100.0
83.08621	8.0
85.06544	2.0
91.05493	19.4
93.07049	55.0
95.05002	1.7
95.08614	73.1
97.06539	4.1
97.10182	3.9
99.08105	1.8
105.04549	2.0
105.07037	17.1
107.08604	33.7
108.03043	1.1
109.06527	1.2
109.10165	42.0
111.08102	2.3
113.09685	1.3
117.07029	8.8
119.08581	14.0
121.10151	30.6
123.11716	22.5
127.11253	1.2
131.08574	22.2
133.10152	12.6
135.11696	27.9
137.09644	2.1
137.13252	8.1
139.11212	2.0
145.10141	15.3
147.11682	12.3
149.13274	20.4
151.11230	1.8
151.14821	2.9
153.12773	1.4
159.11708	14.3
161.13292	9.7
163.11250	1.9
163.14830	13.5
165.12712	1.4
169.28116	1.1
173.13271	17.8
175.14847	4.3
176.17448	1.2
177.16367	5.3
179.14357	2.3
187.14816	9.2
189.16296	1.2
191.14366	1.5
192.26143	1.0
201.16438	2.7
205.15857	2.0
215.18034	2.0
225.19637	1.2
233.22659	5.2
243.21118	26.8
261.22165	98.3
262.22467	1.8
279.23236	7.3
317.24786	1.3
335.25848	19.1
353.26898	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.05922	0.6
53.03923	2.0
55.01836	1.1
55.05267	0.8
55.05513	10.8
56.96553	1.0
57.03437	4.0
57.07074	3.6
60.24946	0.7
61.02897	0.8
65.03906	2.2
67.05506	73.0
69.03406	0.7
69.07068	9.4
71.04966	1.9
71.08617	1.5
73.02912	0.9
75.04462	1.4
79.05495	37.9
81.07059	74.2
83.04991	1.3
83.08616	6.5
85.06520	2.6
91.05482	19.0
93.07048	49.6
95.04963	1.9
95.08609	56.8
97.06527	4.0
97.10150	2.8
98.97595	1.1
99.08064	2.6
105.07033	13.0
107.08597	32.1
109.06506	1.5
109.10159	31.2
111.08041	1.2
113.09614	0.8
117.07027	7.7
119.07818	0.8
119.08588	14.2
121.10151	28.7
123.08060	1.2
123.11716	17.7
125.09619	0.9
127.11098	0.7
129.06961	0.8
131.08574	18.2
133.10132	13.3
135.10687	1.2
135.11699	23.5
137.09621	1.5
137.13272	6.2
139.11142	1.3
143.08505	1.0
145.09045	1.0
145.10132	13.8
147.08060	1.0
147.11696	11.5
149.09575	0.7
149.13264	17.8
151.11186	1.2
151.14819	2.4
153.05461	1.9
153.12708	1.3
157.10188	0.7
158.99593	1.1
159.11699	11.9
161.13274	8.9
163.14842	12.1
165.12679	1.7
165.16414	1.1
167.14378	0.8
173.13269	15.5
175.14798	4.1
177.12903	1.2
177.16377	4.8
179.14304	2.2
183.76643	0.6
187.14839	10.0
189.09140	2.4
189.16391	0.7
191.14355	1.7
201.16402	2.5
204.13878	0.8
205.15816	1.1
215.17885	1.0
223.93855	0.7
233.22668	2.9
240.27968	0.7
243.21092	26.4
261.22150	100.0
262.22598	1.7
263.23724	1.1
267.19553	0.8
279.20444	0.8
279.23138	4.2
281.10675	1.1
320.18732	0.8
335.25763	7.4
353.06387	0.8
353.26886	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75440	0.9
53.03934	3.0
55.01871	1.4
55.05511	14.5
57.03439	6.8
57.07066	3.5
59.12392	1.0
65.03941	2.3
67.05507	91.8
69.07068	12.6
69.21528	1.0
71.04986	3.2
74.73132	0.9
75.04484	1.2
79.05497	38.7
81.07060	98.0
83.04967	1.1
83.08623	7.6
85.06535	1.4
91.05480	22.3
93.07045	55.3
94.75377	1.2
95.04964	2.1
95.08609	67.7
97.06521	3.5
97.10168	3.7
98.20724	2.8
99.08083	4.0
105.04520	1.1
105.07043	14.8
107.08598	36.1
109.10161	37.6
111.08105	1.4
111.11709	1.2
111.64812	1.1
113.09682	2.2
117.07004	7.4
119.07805	1.2
119.08592	16.1
121.04672	1.2
121.10147	33.6
123.08151	1.2
123.11713	19.0
131.08569	16.7
133.10149	15.7
135.11693	27.0
137.09604	2.5
137.13248	7.7
139.11189	1.5
145.10127	17.1
145.64330	1.1
147.11705	9.8
149.13268	19.5
151.11168	2.2
151.14851	1.1
153.12735	1.5
159.11696	12.7
161.13240	7.9
163.14836	12.7
165.12817	1.1
173.13284	15.5
175.14836	3.5
177.12718	1.4
177.16460	4.3
179.14351	1.4
187.14799	10.4
201.16412	2.5
215.17958	1.7
219.17387	1.4
233.22687	5.1
233.24731	1.1
243.21082	26.5
261.22153	100.0
263.23703	1.2
279.23218	6.2
317.25046	1.5
335.25766	18.5
353.26907	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	353.23
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28509	0.3
53.03953	0.4
55.01865	0.7
55.05516	0.6
56.96539	0.3
57.07064	0.3
67.05496	1.0
67.19344	0.2
68.99794	0.5
69.03433	0.6
69.07050	0.4
70.22471	1.3
79.05490	1.5
80.04999	0.4
81.03426	0.5
81.07075	1.4
83.08619	0.3
89.23686	0.3
91.04961	0.5
91.05479	5.3
92.05825	0.8
93.07046	1.2
95.04971	0.7
95.08600	1.2
98.97572	0.4
103.05460	0.6
105.07047	1.6
107.04959	0.7
107.08593	0.7
109.02878	0.4
109.06511	0.5
109.10162	0.5
111.20565	0.2
112.24142	0.3
113.50144	0.3
115.05468	0.4
117.07043	0.5
118.06567	0.6
119.04964	2.6
119.06824	0.3
119.08598	2.4
120.05318	0.5
121.06519	1.4
121.10111	0.5
123.04430	1.0
123.08072	0.4
123.11572	0.3
125.05963	0.3
128.06230	1.8
131.04887	0.4
131.08496	0.4
132.05785	0.3
132.08070	0.3
133.10135	1.5
135.04414	1.7
135.08054	0.4
137.05977	5.0
138.06322	2.0
141.05464	0.5
143.08583	1.6
145.06462	0.4
145.10153	0.3
147.03250	0.3
147.04414	7.8
147.08054	12.7
149.05949	1.0
153.04314	0.5
153.05482	6.6
153.06760	0.5
155.08562	0.3
157.10135	0.5
159.11691	0.4
161.09619	2.5
162.03148	0.4
163.03926	0.3
165.05553	1.9
170.07254	0.3
171.08064	4.4
171.76585	0.3
173.13298	0.4
174.06784	1.2
177.05473	3.4
178.06238	0.4
179.61575	0.3
185.09657	0.6
189.09116	29.1
190.09454	0.4
191.07040	0.5
193.05008	2.4
195.08133	0.4
197.09926	0.3
198.06812	0.5
201.09172	1.3
207.10210	1.4
211.07790	0.3
213.09105	2.3
215.11122	0.4
216.17503	0.9
217.17874	1.9
219.10341	0.3
229.08594	0.9
255.06767	0.4
271.14047	0.6
293.23065	0.8
297.07721	0.3
305.87128	0.3
307.10117	0.3
321.11426	0.4
323.09229	0.5
325.07034	1.0
325.10782	0.4
325.14377	1.2
335.09088	0.4
335.20828	0.8
338.11462	0.5
353.06534	1.2
353.13922	15.0
353.22989	100.0
354.23306	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1021
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
50.11236	0.1
51.31858	0.1
55.05489	0.2
56.96552	0.2
59.05006	0.9
69.03378	0.2
69.88954	0.9
79.05480	0.4
81.07047	0.4
91.05460	0.9
93.07014	0.4
95.08585	0.3
98.20824	0.2
98.97574	0.2
105.07013	0.3
107.04922	0.3
107.08549	0.2
109.06485	0.3
119.04908	0.3
121.02919	0.2
123.04422	0.3
135.04414	0.3
137.05920	0.4
143.08612	0.2
145.02821	0.5
147.04390	0.2
147.08054	0.2
153.05476	0.2
159.04326	0.2
162.55293	0.2
171.19513	0.2
173.02338	0.5
173.06030	0.2
177.01903	1.0
193.04901	0.3
211.07542	0.5
217.05019	0.5
217.52383	0.2
235.05957	1.2
239.07065	1.4
249.05391	0.2
267.06540	1.3
277.05035	0.3
279.10019	0.3
283.06058	0.9
284.06805	0.7
295.06021	33.8
296.06396	0.6
297.07733	0.2
297.11096	0.4
307.09692	0.4
311.09137	0.7
321.07629	0.3
325.06952	0.7
325.10718	1.0
335.09207	1.7
335.21860	0.6
336.09888	0.3
337.07037	1.6
338.07886	1.5
353.10202	100.0
353.22751	8.5
354.10580	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	353.0847
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
59.13426	1.2
64.80567	1.4
70.00957	2.7
70.01365	4.1
76.14964	1.3
79.78328	1.2
85.02886	1.6
192.73714	1.3
198.50696	1.2
203.04121	1.3
245.05110	2.3
353.08490	100.0
353.40604	1.3
354.08994	1.8
355.88580	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47431	1.1
55.01866	3.9
56.96570	3.1
60.30988	1.2
61.02927	7.8
61.50732	1.2
68.99783	8.4
69.03427	2.3
69.07072	1.4
70.06599	6.0
71.01347	1.3
71.55981	1.7
81.03439	2.2
81.07014	1.5
84.04518	3.2
84.08117	1.4
85.02904	8.2
87.00848	7.5
90.05576	1.4
91.05500	5.3
97.02914	4.4
98.97581	4.1
103.05459	2.7
105.07042	2.4
109.02879	1.4
110.07160	2.4
111.04453	15.5
115.05462	13.4
117.03429	1.3
117.07005	2.6
119.04931	8.3
121.02853	2.8
121.06512	4.0
129.01889	10.8
130.05042	2.4
131.04922	2.5
133.02806	1.8
133.06529	4.4
135.04449	3.3
136.05203	2.1
137.06010	3.7
139.03903	19.5
140.04723	2.9
143.04926	5.9
145.06493	1.3
147.02934	3.8
147.04411	18.5
149.05997	3.4
151.03984	1.7
151.07605	2.4
153.05505	2.1
159.04424	4.0
160.05177	3.0
161.06018	8.9
162.03136	8.7
163.03931	3.0
165.05449	1.5
167.03410	10.3
167.04721	1.6
171.04396	12.3
175.03946	3.7
175.05998	1.2
175.07512	3.1
177.05484	48.7
179.03386	2.1
179.07027	5.2
188.04695	3.0
189.05533	7.3
190.08612	11.7
191.07060	5.6
191.08961	18.2
192.04237	1.5
194.99617	2.4
199.03917	12.6
201.09000	1.6
203.07036	29.3
205.05022	6.6
206.11823	4.2
207.06555	13.3
210.54355	1.4
213.00729	2.9
216.04131	1.4
217.04939	10.9
221.08102	3.1
224.07120	1.3
231.06540	29.1
235.11813	1.5
249.07610	100.0
287.66260	1.1
335.07974	1.3
335.12411	1.5
347.40027	1.6
353.01694	1.9
353.08261	2.3
353.12363	6.2
354.00290	1.2
358.97571	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.5
56.96566	1.9
57.03420	1.6
57.07077	51.8
59.05008	11.7
67.05498	4.7
69.07060	5.3
69.51234	1.4
70.14454	4.4
71.08634	100.0
72.08156	1.6
72.08932	2.1
79.05494	3.0
81.07042	3.9
81.18200	1.3
85.10186	54.9
89.06036	24.2
91.05476	2.5
93.07046	3.9
95.08607	4.6
95.18564	1.5
97.02894	1.4
98.20792	1.4
98.97555	1.6
99.08094	4.7
103.07566	1.6
107.08521	1.7
109.02635	1.6
109.10190	2.1
119.08566	1.8
122.10430	1.7
127.14870	8.7
133.08595	19.9
147.11716	2.3
151.09659	9.9
165.12656	2.1
185.19011	15.3
191.12834	2.6
195.12289	15.4
202.16019	2.6
209.13768	2.8
229.21669	1.6
253.45932	1.5
253.49030	1.3
317.17743	3.6
335.27979	21.0
352.25580	15.5
352.32068	1.9
360.28833	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57934	10.7
63.66639	11.1
69.03422	11.8
70.67475	27.1
85.02923	33.4
86.62703	10.9
98.97592	15.9
109.83282	11.5
140.12419	12.2
157.03606	14.9
233.05292	16.6
245.04974	11.1
306.51657	13.6
347.48077	12.5
353.06564	100.0
371.93222	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	3.7
56.96567	59.4
61.02909	3.4
67.26038	2.8
69.03423	6.3
69.81062	12.3
70.06590	3.7
72.08127	2.7
84.04508	7.3
84.96048	19.4
85.02914	14.0
86.15413	2.8
91.05494	3.9
93.07034	3.1
95.39841	3.0
97.02914	6.7
97.84017	2.8
97.96809	6.6
98.20886	3.8
98.97591	100.0
110.97585	32.8
112.99158	13.2
116.98633	42.5
119.71514	2.9
121.06502	7.0
124.99100	4.7
127.03932	4.1
128.98628	31.1
131.00171	5.4
134.99664	8.9
135.04413	5.4
137.05998	4.9
140.98625	3.7
143.00195	13.3
146.05975	3.2
146.99672	11.8
152.98645	5.2
158.99661	11.9
161.01208	22.5
162.11725	2.7
170.99657	8.9
177.00737	12.2
177.05513	3.9
179.00282	3.7
179.02252	4.0
189.00737	4.6
191.08218	5.1
196.69728	2.4
201.00716	11.1
204.10228	3.7
206.11844	3.0
211.02837	2.4
217.05118	4.4
217.07333	2.7
219.01741	50.9
219.03650	4.4
224.22664	2.7
225.04272	3.3
227.02380	13.1
237.02759	53.1
245.03340	12.7
249.07538	6.1
260.12756	4.4
269.03403	4.5
278.13766	6.7
293.03296	5.0
295.04886	4.4
305.03314	5.3
317.11374	4.2
327.07800	3.1
335.04486	5.7
335.12396	5.3
352.98993	4.0
353.04993	82.7
353.08978	24.3
353.17133	12.9
371.06479	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	352.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.5
65.03935	1.3
67.05506	0.3
69.07052	0.6
69.26711	3.2
79.05503	1.2
80.05029	0.4
81.07073	1.8
90.04771	0.3
91.05486	36.2
93.07066	0.6
98.20772	0.7
98.97596	0.4
100.23466	0.4
103.05439	0.4
104.81077	0.3
105.07039	0.9
107.08599	0.5
109.06493	1.8
118.06554	5.5
119.04948	20.4
119.08591	0.6
120.08104	1.1
132.07056	0.7
132.08092	18.8
137.05984	55.9
138.06320	0.7
146.09648	4.0
147.10423	5.3
148.11218	0.6
159.10440	0.4
160.11290	0.4
161.12044	0.7
191.07016	0.3
216.17488	41.2
217.17813	0.7
222.15024	0.3
238.82362	0.3
254.11726	0.8
268.13376	3.7
271.09256	0.3
275.20099	0.7
282.15094	0.5
283.15732	1.5
292.22647	1.2
350.64771	0.4
352.22690	100.0
353.22977	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	352.2848
Annotation	Melophlin F
Peak:m/z	Relative Intensity
55.05514	5.6
57.07078	10.1
59.04994	1.8
61.43468	1.0
65.05582	1.0
65.83136	1.0
67.05508	6.8
69.03426	2.6
69.07067	6.9
69.78795	0.9
71.08634	43.5
71.56269	1.4
72.04523	21.1
72.08154	1.1
79.05498	4.9
81.07062	10.4
85.02962	1.1
85.10180	9.9
89.06033	5.4
90.61908	1.3
91.05475	4.3
93.07063	7.3
95.04976	3.7
95.08621	11.1
97.06516	2.0
99.08111	12.6
101.53130	1.1
105.07037	5.1
107.08593	9.0
109.06519	8.5
109.10161	3.7
111.19447	1.0
114.09175	8.7
119.08599	5.3
121.06525	2.9
121.10168	2.8
123.11767	1.7
127.14833	2.0
128.10741	2.4
131.08575	3.7
133.08609	3.1
133.10126	4.1
135.08093	2.2
135.11728	1.9
137.09642	1.3
139.11174	1.6
142.12312	2.7
145.10138	1.9
147.11673	3.6
149.09569	1.6
149.13345	1.3
151.09654	1.7
151.14804	1.3
159.11702	2.1
161.13231	1.1
163.11259	1.3
163.14870	1.6
165.12758	51.6
173.13278	3.7
175.11168	1.9
177.12755	2.2
180.13899	2.1
181.15930	1.4
182.15379	8.5
183.11723	2.1
184.13402	1.3
185.19128	2.1
187.14857	1.1
191.14313	5.7
195.12349	3.6
201.12738	3.5
205.96991	1.2
212.16484	6.8
220.16989	7.6
229.19536	3.0
236.20108	28.4
254.21202	5.2
261.22180	6.3
271.20572	5.6
289.21603	18.2
307.22620	3.8
316.26328	8.8
334.27420	100.0
335.27930	5.1
352.28705	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05518	1.8
56.96557	1.4
57.03438	1.2
67.05509	5.1
69.07061	3.4
69.88245	1.7
69.88638	2.3
70.04078	1.3
74.26235	0.7
79.05515	6.1
79.10320	0.8
81.07066	5.7
83.08613	1.3
91.05488	4.3
93.07069	5.0
95.08610	3.5
105.07046	3.3
107.08630	4.6
109.10159	2.3
119.08588	3.0
121.10167	2.3
122.03647	3.9
131.08534	1.2
133.10153	2.7
135.11705	2.5
137.05991	100.0
145.10121	1.5
147.11696	3.6
151.11205	1.2
157.10083	1.1
161.13274	1.4
170.15430	2.6
182.15454	4.3
241.19545	1.4
259.20679	4.9
277.21597	1.8
292.22803	1.0
306.20633	7.4
333.17065	3.3
351.13245	0.8
351.17770	3.8
351.21741	1.8
351.25323	5.9
352.24792	2.3
369.19342	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	352.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93820	0.3
55.01857	0.3
56.96564	0.4
58.99582	0.6
65.03949	2.3
67.05510	3.3
69.03422	0.5
69.51115	2.0
74.00675	1.7
76.02229	0.8
77.03900	0.3
79.05495	1.1
81.03416	0.5
81.07056	0.3
83.05015	0.4
84.04501	0.4
85.02903	0.6
86.99064	0.3
88.04004	1.2
91.05486	100.0
92.01720	0.3
92.05817	0.9
94.06564	0.4
95.04977	1.6
98.97576	1.0
102.22253	0.3
103.05461	0.4
105.00088	0.3
105.03412	1.3
105.07018	0.8
107.04947	0.5
111.04430	0.4
118.06550	0.3
120.01172	7.4
122.02743	2.6
123.04430	3.3
131.04976	0.3
132.01178	0.4
141.05492	1.0
155.01663	0.5
167.07095	0.5
167.08611	0.7
175.02048	0.3
191.07027	0.4
195.04797	1.0
197.24535	0.3
198.05927	0.3
200.83220	0.3
201.09204	0.3
202.84602	0.3
210.05841	1.3
220.99327	0.3
244.06438	1.7
245.04721	3.1
277.08337	0.4
312.29199	0.3
320.10135	0.5
321.11176	0.7
334.10950	3.0
335.09424	2.8
352.12115	3.6
352.16251	0.4
352.24698	0.7
353.13925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01863	3.4
55.05275	1.3
55.05515	19.3
57.03443	16.3
57.07064	4.8
65.03938	1.9
67.05511	50.0
67.05877	2.7
69.07069	14.8
69.96273	4.3
71.04986	1.8
71.08636	47.9
79.05495	43.5
79.05964	1.6
81.03416	6.7
81.06592	1.6
81.07064	46.2
83.04974	10.4
83.08639	9.1
85.06548	2.9
91.05484	27.6
93.07051	54.2
95.04989	10.2
95.08617	34.0
97.06525	10.5
97.10159	3.3
97.20773	1.1
99.07479	1.9
99.08101	30.6
102.46776	1.0
105.07037	19.1
107.04951	7.5
107.08605	31.4
108.19371	1.1
109.06520	3.5
109.10156	16.1
111.08070	3.3
113.09676	2.3
117.07014	5.0
119.08580	16.1
121.06474	1.4
121.09316	2.3
121.10154	27.6
123.08087	1.3
123.11669	1.7
127.11177	1.7
129.07072	2.3
131.08556	3.4
133.10144	12.4
135.11697	33.4
137.09608	4.0
141.09094	3.8
143.08578	3.7
145.10124	5.3
147.11694	8.0
149.09718	1.5
149.13284	11.9
151.11186	17.2
153.12689	1.6
157.10153	2.0
159.11679	3.5
161.09631	1.4
161.13258	13.6
163.11174	6.5
163.14847	1.9
165.12767	1.8
167.10667	2.7
171.11737	2.0
173.13245	1.5
175.14836	3.1
177.12761	4.9
179.14325	100.0
180.14713	1.0
181.12268	1.9
185.13272	2.6
189.11176	1.5
189.12799	2.2
195.13721	1.7
199.14905	1.8
221.15390	2.7
231.20782	1.6
235.16942	5.1
241.19646	2.9
259.20618	6.7
277.21646	40.8
285.86563	1.3
295.22778	1.3
351.25299	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01862	3.4
55.05263	1.7
55.05511	18.3
57.03441	13.8
57.07069	3.2
65.03940	2.3
67.05509	50.6
68.79688	1.1
69.03409	1.4
69.07075	16.4
69.65092	2.1
69.65498	4.7
71.04989	3.1
71.08636	53.7
73.06594	1.2
77.03945	1.2
79.05499	43.6
79.05962	2.2
81.03418	5.9
81.07063	51.1
83.04990	11.6
83.08624	9.6
85.06532	2.9
91.05485	28.9
93.07050	56.0
95.04971	9.1
95.08614	36.6
97.06545	10.2
97.10180	3.5
98.09367	1.0
99.08098	36.2
105.07039	22.7
107.04958	6.0
107.08602	29.1
109.06512	4.0
109.10152	14.8
111.08098	2.2
113.09653	3.7
117.07006	3.5
119.08583	22.2
121.06486	2.1
121.10153	26.4
123.08078	1.3
123.11726	1.8
125.09575	1.4
127.11230	2.1
129.07016	2.2
131.08560	3.8
133.10132	13.9
135.11702	34.0
137.09622	2.4
137.13303	1.3
139.11211	1.3
141.09097	3.8
143.08568	2.4
145.10135	4.8
147.11699	7.3
149.13260	10.8
151.11198	19.0
153.12685	1.7
157.10143	1.7
159.11702	6.6
161.13257	12.0
163.11169	6.2
163.14799	1.7
165.12820	2.3
167.10648	2.7
171.11783	2.7
175.14801	2.7
177.12740	3.3
179.14323	100.0
180.14531	1.6
181.12259	1.7
185.13322	2.6
189.12715	3.3
195.13841	2.3
199.14848	2.9
207.13847	1.7
221.15382	3.4
231.21172	1.3
231.54013	1.0
235.16946	4.9
241.19507	2.7
259.20618	9.5
277.21640	49.0
281.48465	1.4
333.24020	1.5
351.25305	62.1
352.14377	1.5
366.67590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.05510	12.9
56.96557	1.6
57.03426	3.4
57.07071	2.7
58.18230	1.1
65.03939	1.4
67.05505	31.4
69.07075	12.7
71.04973	1.3
79.05495	51.3
81.07058	43.9
82.47780	1.1
83.08608	5.3
85.06535	2.2
91.05481	50.2
93.07043	72.8
95.04950	4.2
95.08606	30.2
97.06525	1.9
97.10121	2.3
99.08083	4.2
105.07031	54.6
107.08596	38.9
109.06482	1.9
109.10152	10.3
113.09665	1.7
115.05465	1.2
117.07010	10.5
119.08584	50.5
121.10148	28.8
123.08075	2.6
123.11691	2.9
128.06235	2.2
129.07010	8.6
131.08572	17.4
133.10129	45.9
135.08028	1.5
135.10690	2.0
135.11700	33.8
137.09613	1.7
143.08556	10.3
145.10109	20.3
147.11687	44.7
149.09648	2.6
149.13261	19.4
151.11093	1.6
155.08543	1.6
157.10133	7.8
159.11684	19.3
161.13246	35.2
163.11186	3.4
163.14859	6.3
165.12810	2.2
171.11696	14.1
172.88126	1.4
173.13263	11.0
175.14812	16.9
177.12688	2.2
180.30847	1.3
185.13242	12.5
187.14868	2.8
189.12708	1.7
189.16479	1.7
199.14839	6.1
203.14323	2.0
213.16405	5.1
215.17975	1.4
222.15352	1.3
231.17416	3.2
231.21066	9.0
241.19490	32.2
259.20575	100.0
260.21198	1.4
277.21591	4.3
333.17078	1.3
333.24091	2.1
351.18463	4.8
351.25281	65.0
352.25681	1.9
369.19363	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01866	2.2
55.05510	18.6
56.96553	2.0
57.03436	8.6
57.07067	3.5
65.03937	1.9
67.05504	44.0
69.07069	16.9
71.04987	3.0
71.25856	1.7
75.04475	1.9
77.03927	1.4
79.05492	65.9
81.07059	59.6
83.04980	2.6
83.08616	7.3
85.06559	3.6
91.04896	1.7
91.05479	52.6
93.07044	88.4
95.04964	3.2
95.08610	35.3
97.06520	3.8
97.10168	3.6
99.08092	4.0
105.04504	2.4
105.07030	58.8
107.04939	1.4
107.08597	55.8
107.49548	1.0
109.06517	2.9
109.10173	13.4
110.00386	1.1
111.08081	1.5
115.05362	1.3
117.06999	12.6
119.08585	47.5
121.06505	2.9
121.10146	42.0
123.08083	1.5
123.11712	3.6
127.11214	1.3
128.06197	1.5
129.06984	8.7
131.08569	20.9
133.10136	45.9
135.08089	2.2
135.11690	45.9
137.09578	2.9
142.07782	1.7
143.08591	10.3
145.10127	23.8
147.11691	53.9
149.09599	3.6
149.13263	27.0
157.10130	10.9
159.11707	19.2
161.09680	1.7
161.13264	37.3
163.11142	2.5
163.14838	8.2
171.11710	12.8
173.13274	11.4
175.11229	1.8
175.14818	15.2
177.12773	4.8
179.14267	1.7
185.13261	14.9
187.14865	3.5
189.12738	2.3
189.16483	2.5
193.15929	1.4
199.14836	8.8
201.16394	1.9
203.14357	1.8
211.71748	1.6
213.16393	5.1
215.17967	2.5
217.15862	1.7
217.19502	1.6
231.17438	4.4
231.21069	7.7
241.19504	38.2
243.09064	1.7
259.20578	100.0
260.20963	2.0
277.21591	13.3
333.17407	3.3
333.24255	12.1
351.18375	5.2
351.25320	81.3
352.25635	1.4
369.19348	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16796	1.6
53.03954	4.7
55.01884	2.7
55.05514	18.2
56.88379	1.5
56.96574	2.4
57.03440	6.4
57.07085	3.4
65.03950	2.3
65.21729	1.4
67.05511	50.9
67.05876	2.6
67.49496	1.8
67.60915	1.6
69.07076	19.1
69.27547	1.7
69.27834	4.5
69.28241	9.9
71.04993	4.0
71.08630	8.7
79.05498	62.5
81.03421	3.8
81.07065	56.1
83.04993	3.8
83.08637	9.1
85.06564	5.5
91.05486	58.2
93.07055	77.9
95.04998	6.6
95.08612	39.7
95.09160	3.1
97.06552	7.0
97.10175	4.3
99.08098	10.8
103.85880	1.7
105.07037	63.6
107.08605	48.1
107.09295	3.0
109.06550	3.1
109.10152	15.6
111.08106	2.2
113.09666	2.4
117.07014	17.5
119.08585	61.7
121.06509	1.9
121.10151	30.2
123.11740	4.0
125.09727	2.3
128.06242	3.1
129.07011	11.6
131.08575	22.2
133.10136	47.4
133.11078	3.4
135.08051	2.2
135.11700	35.6
135.12685	2.6
136.16212	1.8
143.08536	12.2
145.10138	23.4
147.11702	46.4
147.12790	3.1
149.09665	3.1
149.13263	22.7
151.11209	6.8
157.10155	13.4
158.55869	1.9
159.11693	19.7
161.13260	37.8
163.11185	4.3
163.14815	5.4
165.12839	2.1
171.11717	16.3
173.13240	9.9
175.14836	19.7
177.12779	2.5
179.14352	4.9
185.13234	12.0
187.14859	4.1
189.12802	4.0
189.16284	2.3
199.14824	8.8
200.21767	1.8
203.14380	3.3
213.16447	5.6
217.19536	4.1
231.17459	3.5
231.21002	8.5
241.19524	41.7
259.20593	100.0
261.22165	1.7
277.21661	11.9
333.24384	4.3
348.99271	2.3
351.08997	1.8
351.21387	16.5
351.25357	85.0
352.25586	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01873	2.0
55.05519	17.1
57.03440	10.3
57.07056	3.2
59.32516	2.0
61.28346	1.9
67.05511	50.5
69.07070	12.7
69.38097	8.3
69.38521	7.5
71.04981	3.2
71.08636	2.9
79.05497	67.4
81.07060	50.0
83.08619	8.5
85.06561	5.3
89.68368	1.8
91.05482	51.8
91.52602	1.9
93.07050	85.0
95.04962	6.6
95.08614	37.0
97.06551	3.2
97.10168	3.0
99.08091	5.7
105.07038	53.7
107.08599	55.7
109.06512	4.0
109.10169	12.4
115.05497	3.1
117.07043	11.1
119.07792	3.9
119.08591	54.5
121.10147	43.1
123.11692	3.6
125.09605	2.8
129.06995	8.4
130.63367	2.1
131.08566	21.5
133.10144	42.0
135.08101	2.2
135.11703	40.3
137.09641	3.1
143.08575	8.5
145.10146	19.8
147.11694	49.1
149.09645	2.9
149.13258	27.0
150.79163	1.8
157.10161	9.8
159.11732	20.3
161.09619	2.8
161.13252	41.0
163.11177	3.6
163.14828	10.1
171.11682	15.5
173.13309	11.0
175.14827	19.3
177.12737	3.2
183.11816	2.1
185.11871	2.1
185.13306	14.6
187.49841	2.1
189.12794	3.4
199.14845	7.6
203.14299	2.6
217.15932	2.8
217.19600	5.3
231.17397	4.0
231.21078	10.1
241.19560	35.4
253.14264	1.9
259.20590	100.0
260.21072	3.1
271.14069	2.7
275.09445	1.9
277.21616	16.2
277.55164	1.9
333.24146	10.2
351.21368	78.7
351.25320	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2141
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
51.60670	0.4
55.05512	0.6
58.06591	0.4
59.57854	0.4
67.05489	0.8
70.94497	1.0
79.05482	0.6
81.07043	1.3
91.05472	1.1
93.07024	0.5
95.08599	0.5
98.97578	0.7
105.06973	0.6
119.08615	0.4
126.21725	0.4
154.32719	0.4
164.72354	0.4
166.23618	0.4
215.11261	0.6
253.12865	1.2
271.14099	0.8
333.19312	1.2
351.21402	100.0
352.21484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
55.01878	4.4
55.05513	21.1
56.96553	4.5
57.03429	11.1
57.07057	6.2
65.58750	1.9
67.05502	51.3
69.03415	3.1
69.07072	19.9
69.87949	4.1
69.88372	7.6
71.04989	3.0
75.04465	2.6
77.08952	2.2
79.05492	65.3
81.07059	70.2
82.07349	2.5
83.04961	4.4
83.08624	12.3
85.02908	2.9
85.06534	5.2
91.05485	56.5
93.07042	84.8
93.07632	4.2
95.04957	5.5
95.08607	38.3
97.02939	2.8
97.06499	4.4
97.10133	3.7
98.97588	5.7
99.08094	6.5
105.07028	56.2
107.08590	55.4
109.06512	7.2
109.10162	18.8
111.04498	2.5
116.98608	2.2
117.07010	13.0
119.08581	58.2
120.75349	1.9
121.09315	3.4
121.10146	37.4
121.11005	2.5
121.71191	1.8
123.11683	3.6
128.06168	3.2
129.06987	13.0
131.08565	19.6
133.09108	2.9
133.10130	58.1
135.08070	3.8
135.11694	43.6
137.05981	37.0
137.09589	2.6
137.13217	2.0
142.07654	2.3
143.08565	9.5
145.10129	22.6
146.01059	2.1
147.08069	2.5
147.11711	47.2
149.09631	5.1
149.13258	30.2
151.11176	2.6
157.10170	11.8
159.11687	18.3
161.09706	4.0
161.13263	42.0
163.11212	5.5
163.14854	11.7
169.54904	2.1
171.11697	13.9
173.13242	14.6
175.11201	5.4
175.14807	20.4
177.05620	2.1
177.12721	3.5
177.16492	2.7
179.10712	2.7
179.14291	2.9
185.13258	14.2
187.14780	3.7
189.12791	4.4
193.15962	2.1
195.09822	2.0
199.14783	7.9
201.16365	2.3
203.14272	3.2
203.17950	5.2
213.16409	6.3
215.17938	2.3
217.15843	3.1
217.19481	6.9
221.19022	2.5
231.10669	2.7
231.17456	6.8
231.21071	14.2
241.19507	38.7
249.18550	2.6
259.20584	100.0
277.18192	13.4
277.21371	15.1
295.18964	2.9
296.69617	2.4
333.20456	4.5
333.24008	12.6
341.66153	3.1
351.08685	4.4
351.12961	2.8
351.21289	81.1
351.25296	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05512	0.9
56.96564	11.6
57.03431	0.8
61.02929	0.7
62.34509	0.6
68.96553	0.7
69.03437	2.1
70.06586	2.1
71.54913	0.7
71.95258	0.9
73.02927	0.9
84.04492	1.0
84.08128	2.2
84.96030	2.5
85.02914	2.1
85.70098	0.6
86.09709	0.7
93.96983	0.6
97.02895	1.3
98.97585	100.0
109.02885	1.2
110.97559	9.9
112.99098	3.0
116.98625	23.3
119.01913	0.9
121.06551	0.6
123.05562	2.9
124.99120	1.1
126.05540	1.2
127.00718	0.7
128.98607	6.2
129.02295	1.5
131.00145	2.4
132.95840	0.6
134.99655	4.3
136.06122	0.8
137.05969	1.1
140.00227	1.1
140.98592	1.1
143.00151	3.0
144.98128	1.2
145.01724	1.5
145.04955	0.9
146.99626	2.2
147.03299	3.1
152.98567	1.9
155.04601	1.6
158.99660	38.2
161.01222	1.6
163.02766	1.3
165.04381	1.4
170.99615	2.7
171.03291	4.3
175.02840	0.7
177.00717	23.1
188.75546	0.6
188.96681	0.6
189.00677	2.3
189.02599	0.9
189.04349	7.3
189.06009	1.1
195.01775	1.2
200.02415	1.3
201.00804	2.9
201.04352	0.8
203.04034	0.9
207.05406	1.2
219.01770	17.9
219.05211	1.2
221.04964	0.9
223.12280	1.4
231.03548	1.3
231.05420	1.7
237.02834	19.1
249.06464	1.2
291.07471	30.5
309.08560	60.7
310.09061	1.0
332.10199	1.5
351.09644	35.8
351.25504	0.7
352.10004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75199	2.1
55.01877	3.4
56.96569	5.6
57.03439	3.0
58.94000	2.2
60.04527	2.7
61.02926	4.7
68.05019	2.9
69.03420	6.7
70.06587	9.2
70.96082	3.7
70.96435	4.9
73.02937	4.0
81.03413	2.5
84.04491	3.6
84.08155	7.9
85.02901	8.8
88.99182	2.6
92.92319	2.4
97.02898	7.6
98.97581	9.8
101.00877	13.8
103.00606	11.8
103.02463	5.3
109.04627	2.5
111.02927	2.4
113.00875	10.2
113.03487	6.0
114.05526	8.4
115.00642	3.6
115.02452	10.0
116.98637	2.6
117.02190	5.2
117.04008	3.6
119.01928	15.9
121.01668	8.4
123.05556	7.6
127.02439	7.5
127.03857	2.4
129.03973	12.5
131.01947	12.2
133.01704	5.3
133.03487	13.8
135.03140	6.2
136.06140	2.8
137.05995	9.2
142.12254	4.7
143.01920	10.5
143.12621	3.0
145.01654	7.6
145.03456	14.1
147.03204	5.1
147.05029	49.4
149.02893	2.6
151.89626	2.3
153.04031	3.8
155.01923	8.7
157.03503	4.0
158.99661	3.0
159.03192	3.3
159.05045	8.0
161.02946	6.4
163.02724	7.3
165.06134	9.3
170.99644	3.7
171.01442	2.8
171.04984	14.6
173.03072	11.7
173.04355	2.6
173.06686	2.9
175.02780	2.5
175.04654	5.9
183.05031	11.4
185.06667	2.9
187.00740	3.3
188.12814	4.7
189.02470	4.9
189.06084	56.6
189.13153	8.7
191.04001	3.3
201.00743	2.5
201.06097	37.6
203.04085	7.0
203.07684	7.5
205.03726	2.8
213.06163	3.7
217.00229	6.6
221.05090	14.2
223.12244	2.8
225.06129	12.5
231.07161	5.9
247.03081	4.3
249.02693	4.1
261.08264	8.3
263.04166	3.4
273.08224	5.3
279.09277	3.8
287.05408	3.5
291.04205	5.8
291.09247	100.0
298.15680	2.3
309.10345	14.6
319.03442	9.6
319.13913	3.2
321.12241	10.1
333.06503	2.8
351.02509	4.0
351.06830	85.1
351.11859	53.1
351.16357	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	351.069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75199	2.1
55.01877	3.4
56.96569	5.6
57.03439	3.0
58.94000	2.2
60.04527	2.7
61.02926	4.7
68.05019	2.9
69.03420	6.7
70.06587	9.2
70.96082	3.7
70.96435	4.9
73.02937	4.0
81.03413	2.5
84.04491	3.6
84.08155	7.9
85.02901	8.8
88.99182	2.6
92.92319	2.4
97.02898	7.6
98.97581	9.8
101.00877	13.8
103.00606	11.8
103.02463	5.3
109.04627	2.5
111.02927	2.4
113.00875	10.2
113.03487	6.0
114.05526	8.4
115.00642	3.6
115.02452	10.0
116.98637	2.6
117.02190	5.2
117.04008	3.6
119.01928	15.9
121.01668	8.4
123.05556	7.6
127.02439	7.5
127.03857	2.4
129.03973	12.5
131.01947	12.2
133.01704	5.3
133.03487	13.8
135.03140	6.2
136.06140	2.8
137.05995	9.2
142.12254	4.7
143.01920	10.5
143.12621	3.0
145.01654	7.6
145.03456	14.1
147.03204	5.1
147.05029	49.4
149.02893	2.6
151.89626	2.3
153.04031	3.8
155.01923	8.7
157.03503	4.0
158.99661	3.0
159.03192	3.3
159.05045	8.0
161.02946	6.4
163.02724	7.3
165.06134	9.3
170.99644	3.7
171.01442	2.8
171.04984	14.6
173.03072	11.7
173.04355	2.6
173.06686	2.9
175.02780	2.5
175.04654	5.9
183.05031	11.4
185.06667	2.9
187.00740	3.3
188.12814	4.7
189.02470	4.9
189.06084	56.6
189.13153	8.7
191.04001	3.3
201.00743	2.5
201.06097	37.6
203.04085	7.0
203.07684	7.5
205.03726	2.8
213.06163	3.7
217.00229	6.6
221.05090	14.2
223.12244	2.8
225.06129	12.5
231.07161	5.9
247.03081	4.3
249.02693	4.1
261.08264	8.3
263.04166	3.4
273.08224	5.3
279.09277	3.8
287.05408	3.5
291.04205	5.8
291.09247	100.0
298.15680	2.3
309.10345	14.6
319.03442	9.6
319.13913	3.2
321.12241	10.1
333.06503	2.8
351.02509	4.0
351.06830	85.1
351.11859	53.1
351.16357	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	350.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21819	0.6
53.03943	1.5
55.01871	2.2
55.05516	4.0
56.05039	5.7
56.96562	1.8
57.03434	4.5
57.07056	0.7
57.45979	0.7
59.05001	0.8
60.04529	97.5
61.02934	2.7
67.05513	10.0
68.05010	0.8
69.03435	8.3
69.07076	5.5
69.64381	1.5
69.64790	2.3
70.06599	3.6
71.05000	3.1
72.04530	2.0
72.08183	1.0
73.02934	1.5
74.06088	1.7
79.05510	5.4
80.05026	0.9
81.03442	2.1
81.07066	9.2
82.06587	1.9
83.05006	1.5
83.08640	2.7
84.04527	1.2
84.08165	1.7
85.02916	0.8
86.06112	1.0
86.09712	2.6
90.05573	1.0
91.05480	7.4
91.05930	0.7
93.07043	5.1
94.06570	1.6
95.04971	0.7
95.08615	9.8
96.08180	0.9
97.02895	1.3
97.06557	1.4
97.10167	1.0
98.97617	2.3
99.04481	1.9
100.11310	1.1
105.07037	5.2
106.07402	0.7
107.04917	0.6
107.08627	3.6
109.06548	0.8
109.10174	4.4
111.04200	1.2
116.07128	0.7
116.98689	0.9
117.05576	0.8
117.07092	1.0
118.06601	3.2
119.04978	1.0
119.08609	3.1
120.08135	1.5
121.02900	0.9
121.06536	1.5
121.10187	2.5
123.11744	1.3
124.07536	0.9
125.00056	1.1
127.03767	1.5
130.06491	0.8
131.08607	1.6
132.08154	1.3
133.10175	1.5
135.11656	3.0
137.06020	3.0
145.06549	0.6
145.07608	14.9
146.08446	0.9
147.09177	20.7
147.11674	1.2
149.06033	1.9
149.13297	1.0
157.07645	1.0
159.09196	9.9
160.10037	1.7
161.10788	0.9
173.07187	2.3
173.10847	1.3
175.08759	0.8
175.14867	1.3
179.08649	0.9
183.09436	0.7
184.07414	2.4
185.07993	1.0
185.10738	3.1
186.11594	0.7
187.08687	1.3
187.12390	1.1
189.10335	1.0
191.08163	100.0
192.08586	1.9
197.10829	1.5
199.09467	2.7
199.12341	1.4
201.12454	0.8
207.08301	0.9
213.08214	1.1
213.10397	2.4
214.12421	1.0
215.09052	0.9
215.11864	0.9
216.07683	8.2
216.09352	0.7
225.10413	1.0
229.15688	1.0
248.08392	0.8
248.23717	1.3
252.16055	1.0
253.10147	0.8
259.11456	1.0
260.23813	3.8
261.22220	1.5
263.13959	7.0
264.10223	1.6
264.15210	0.7
265.03854	0.7
265.54013	0.8
266.04581	1.5
266.24948	2.1
266.54797	2.2
267.04709	0.7
271.11014	1.1
276.05325	0.8
278.24811	8.3
282.11420	1.0
288.16196	2.5
289.11893	4.7
296.25885	10.4
300.07898	1.2
307.12888	48.8
308.10519	1.0
314.26935	11.2
314.30286	0.8
321.08026	1.2
322.08133	1.6
332.22287	1.1
332.27954	31.8
350.07504	3.8
350.13724	63.9
350.23276	3.4
350.29016	95.3
351.08960	1.8
351.14005	1.4
351.29422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33400	0.7
55.05508	3.4
57.03436	2.1
57.07087	0.9
67.05507	11.7
69.03418	0.8
69.07069	2.4
70.06587	1.3
70.84340	1.5
71.04988	1.5
79.05498	20.3
81.03418	3.5
81.07059	10.4
84.96030	0.6
91.05488	13.7
93.07063	5.4
95.08614	22.6
97.06543	1.0
98.09692	2.1
98.97597	1.4
105.07038	6.8
107.08604	29.3
109.06543	2.2
109.10167	9.1
117.07030	2.9
119.04951	9.1
119.08598	5.2
121.06461	0.8
121.10154	2.1
123.08088	2.2
125.40107	0.6
126.12785	1.0
131.04950	0.7
133.10133	3.1
135.11720	1.5
137.05988	100.0
145.06537	3.1
149.05968	1.9
149.13269	20.2
151.14822	5.8
152.07051	0.9
154.08638	35.0
155.14331	1.2
161.06001	1.5
161.13257	9.3
163.07570	2.3
164.07077	55.7
165.05498	0.7
175.07649	1.4
178.08629	1.2
179.14340	7.8
182.08127	4.3
184.36092	0.7
216.10335	0.8
217.12257	0.8
234.14902	11.6
244.22751	1.1
288.19601	2.4
288.25470	0.6
332.22217	59.2
350.23285	28.5
350.28900	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	350.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.05511	2.4
56.58798	0.5
56.96565	0.4
57.03424	1.7
62.85114	0.3
67.05502	1.8
69.03423	1.0
69.07085	2.3
70.06593	0.7
70.88963	0.8
71.04990	1.2
72.08118	0.5
79.05487	1.8
81.03411	0.8
81.07060	2.0
83.08625	0.6
84.90739	0.3
85.02898	0.5
86.09705	0.6
87.08108	0.4
91.05479	2.2
91.64364	0.5
93.07066	2.6
95.08610	3.2
97.02879	1.0
97.06515	1.7
97.10172	0.9
98.09737	0.5
98.97588	1.1
99.08154	0.4
102.96917	0.4
103.05457	0.8
105.07038	0.9
107.08597	1.7
109.02946	0.4
109.06477	0.5
109.10159	1.4
111.08076	1.3
113.09676	0.6
115.05484	0.6
116.98719	0.4
117.07039	2.8
119.04931	0.6
119.08575	0.6
121.06496	0.9
123.04416	0.7
126.12817	0.5
127.03876	0.3
129.07014	0.6
130.77118	0.4
131.04929	1.6
135.11668	0.7
137.06004	5.8
137.07007	0.3
143.04893	0.4
145.06503	3.9
146.06013	0.5
147.04401	1.3
149.04774	1.0
149.05991	3.8
151.07536	0.5
153.12758	1.9
155.14320	4.4
157.06602	0.6
161.05984	2.6
162.05487	0.9
163.06270	0.5
163.07556	3.3
164.07076	100.0
165.05562	0.7
165.07426	1.4
165.09123	0.7
170.15347	0.8
173.06007	0.8
175.07596	1.8
177.05553	0.4
178.08614	1.4
182.94803	0.4
184.07359	0.7
187.07619	0.6
209.09746	0.5
213.09238	0.4
217.12222	0.9
218.11732	4.4
234.14969	2.4
237.02858	0.5
241.12418	0.4
288.19626	7.6
297.18494	1.1
314.21191	0.9
315.19507	0.9
319.09659	0.5
321.48160	0.5
332.22211	70.3
333.13504	0.9
333.22522	1.1
350.07578	0.8
350.13583	0.5
350.23276	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	349.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
55.67242	0.7
56.96555	0.8
57.07080	94.3
57.78520	0.8
59.05005	16.4
68.70165	0.7
69.07074	1.4
71.08637	100.0
79.05492	1.2
81.07060	0.9
83.08618	2.2
85.10188	86.0
89.06039	27.4
93.07031	1.2
95.08588	0.9
95.66324	0.9
97.10159	0.8
98.20718	1.7
99.11733	8.6
103.07568	2.7
107.07073	1.4
107.08589	1.0
109.06496	1.1
121.10195	0.8
123.08075	3.8
131.08531	0.7
133.08609	19.0
133.10107	0.9
141.16409	6.8
151.09677	10.0
151.89685	0.6
179.14343	3.4
195.12312	4.0
199.20569	4.6
209.13754	1.0
211.65428	0.7
248.18674	0.7
271.43033	0.8
349.18256	1.1
349.23264	1.5
349.27313	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	350.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50340	1.1
55.01873	2.5
56.96555	2.0
57.03436	2.2
61.02913	2.2
65.03943	5.5
67.05500	1.8
68.61744	1.2
68.99792	2.7
69.03438	6.6
70.06587	6.0
71.05003	1.9
73.02917	1.8
81.03419	2.2
83.04977	3.7
84.04489	2.1
85.02913	19.1
89.03310	1.0
93.03410	4.8
97.02902	7.4
98.97612	2.8
99.04457	2.1
107.04967	1.8
109.02896	3.4
110.07170	1.3
110.97530	1.4
111.04443	27.8
115.05501	1.4
117.07549	1.2
121.04010	2.1
127.03921	3.1
130.06523	1.9
130.87656	1.2
131.96130	1.8
132.95851	5.0
137.06027	1.3
139.03912	76.2
141.06995	2.4
145.04974	3.7
147.04431	2.1
147.98177	1.6
150.96889	4.4
156.04190	3.5
156.08138	1.4
165.07082	1.9
167.07210	1.5
167.08543	2.0
168.08170	1.7
169.06505	3.3
170.08232	1.5
170.09631	2.6
171.06540	100.0
180.08542	1.1
188.03810	1.4
195.08015	1.2
196.11221	1.5
202.96382	1.5
212.10753	3.2
219.01843	2.1
224.10489	1.9
228.10223	2.6
233.98268	3.0
235.96187	2.3
240.10332	3.1
251.99559	1.5
257.10611	1.8
258.11389	3.1
262.98453	1.9
286.10782	6.7
295.02457	1.3
300.12396	1.9
318.13501	5.9
350.09036	5.8
350.15683	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2327
Annotation	Acetyllycoclavine
Peak:m/z	Relative Intensity
53.03933	0.4
55.01858	0.4
55.05522	1.8
56.96565	0.5
57.03419	0.4
57.07070	0.4
67.05495	1.6
69.07078	2.2
70.06592	0.4
71.04998	0.5
71.55756	0.6
74.00680	0.5
79.05490	0.7
81.07072	2.6
82.96269	0.3
83.08613	1.1
86.09669	0.6
91.05486	3.0
93.07039	1.5
93.60683	0.4
95.08605	2.2
97.06515	0.8
98.97572	0.6
102.96853	0.9
103.05458	4.2
105.07028	1.0
107.08597	0.9
109.06509	0.4
109.10160	0.6
115.05446	0.5
117.07014	3.5
119.04992	0.5
119.08647	0.5
120.01140	1.5
121.06514	0.8
123.04445	3.0
127.03901	0.4
131.04930	12.2
131.08589	1.0
133.06494	0.5
135.08066	0.4
137.05974	6.9
145.06499	7.6
147.04407	3.9
149.05988	29.9
151.07544	1.4
152.14334	0.8
157.06554	1.7
159.08047	2.0
161.05972	2.5
162.05508	0.4
163.06544	0.3
163.07542	9.1
164.07068	11.4
165.07494	0.4
166.08650	0.8
171.08133	0.9
173.05978	1.3
175.07578	2.9
177.09109	1.0
178.08659	0.9
184.07341	0.7
187.69029	0.3
189.09163	1.0
190.08795	0.3
202.08658	0.5
203.10643	0.4
204.30913	0.4
215.33484	0.3
216.10176	0.8
218.11769	30.7
219.12141	0.5
287.19919	0.7
288.19574	36.8
289.19794	0.6
297.18668	0.8
314.21118	0.4
315.19580	5.0
332.22195	24.4
333.20688	1.2
347.28537	0.4
347.32825	0.4
350.23264	100.0
351.23764	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03959	0.4
53.66063	0.3
53.87188	0.3
55.05287	0.3
55.05507	2.6
57.06827	0.3
57.07074	4.7
57.57351	0.3
67.05231	0.2
67.05509	3.1
69.07070	3.1
70.63480	0.4
70.63818	0.6
70.65158	0.3
71.04987	0.7
71.08637	2.9
79.05489	2.8
79.56942	0.3
79.97900	0.3
81.07063	6.4
83.04970	0.5
83.08611	0.7
85.06558	2.6
91.05481	2.3
93.07053	3.4
95.04951	0.8
95.08606	5.7
97.06495	0.6
99.08087	1.6
102.83681	0.3
105.07035	2.9
106.05778	0.3
107.08595	3.6
109.06521	18.4
109.10147	2.4
109.22205	0.3
111.08061	0.4
117.07050	0.4
119.08584	3.4
121.06512	0.4
121.10158	3.1
122.07295	1.7
123.08072	26.1
123.11684	1.1
129.06984	0.3
130.07771	0.3
131.08540	1.3
133.10129	2.5
135.08032	3.4
135.11688	0.8
136.08870	0.3
137.09607	0.8
137.13249	0.5
142.07719	0.5
143.08556	0.5
145.10135	1.6
147.11707	1.4
149.09566	0.6
151.11142	0.5
151.14803	0.3
156.09373	0.4
157.10106	1.2
159.11716	1.0
161.09555	0.3
161.13242	0.7
163.14696	0.3
165.12802	0.8
167.14330	1.1
169.10170	0.5
171.11671	0.6
173.13287	0.7
175.14844	0.4
177.16383	0.4
179.14311	100.0
180.14673	0.8
183.11682	0.5
185.13251	0.7
187.14822	0.3
191.14389	0.5
193.15892	3.0
195.11774	0.5
197.13245	0.3
199.14796	0.3
293.21121	0.6
331.26324	2.6
349.27399	88.9
350.27838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01876	0.8
55.05515	4.7
56.14168	0.4
57.07069	0.9
67.05508	4.1
69.03432	0.5
69.06716	0.7
69.07069	8.5
70.80599	1.1
70.80944	0.5
71.04984	1.1
71.08612	0.5
75.99546	0.4
79.05502	3.2
81.07060	6.6
83.04993	0.7
83.08614	2.9
85.06542	0.7
91.05468	1.6
93.07040	4.0
95.04975	0.7
95.08614	5.7
97.06522	1.6
97.10183	0.7
99.08123	0.4
101.06019	0.5
105.07017	2.0
107.08597	4.4
109.06519	8.0
109.10168	2.5
111.08083	2.4
114.88417	0.4
119.08577	3.8
121.06541	0.5
121.10136	3.1
122.07275	0.9
123.08073	52.7
123.11690	1.1
125.09684	0.7
131.08582	0.8
133.10147	2.1
135.08087	3.0
135.11708	1.5
136.08894	0.5
137.09651	2.9
137.13312	0.6
145.10158	1.0
147.11667	1.5
149.13249	1.6
159.11603	0.9
161.13237	1.3
162.24397	0.5
163.11154	0.7
173.13184	0.5
179.14310	6.8
227.83684	0.4
233.19150	0.6
275.20074	1.8
281.21210	0.5
289.25314	0.7
293.17834	0.7
293.21124	14.0
303.26971	0.5
307.22360	1.2
331.26440	2.7
349.27380	100.0
350.27698	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03951	0.5
55.01881	0.4
55.05507	4.2
57.07068	0.9
62.71907	0.4
65.89680	0.3
67.05502	3.7
69.06712	0.7
69.07072	7.7
69.87577	1.6
71.04994	0.7
73.06540	0.7
78.31780	0.4
79.05498	2.8
81.07065	6.1
83.04987	0.5
83.08617	2.7
85.06515	0.4
89.98859	0.4
91.05486	1.6
93.07047	4.1
95.08607	5.7
97.06536	1.5
97.10165	0.7
97.11421	0.4
99.08123	0.7
105.07053	2.2
107.08610	4.0
109.06525	7.4
109.10139	2.5
111.08103	1.6
119.08599	2.5
121.10161	2.7
122.07278	0.7
122.44276	0.4
123.08073	55.0
123.11665	2.0
125.09614	0.6
131.08563	0.8
133.10138	1.9
135.08072	4.0
135.11703	1.3
137.09621	2.4
137.13223	0.8
145.10141	0.8
147.11688	1.6
149.09656	1.4
149.13272	1.3
159.11688	1.3
161.13263	1.1
163.11227	0.5
177.12630	0.5
179.14316	12.9
185.13188	0.4
201.23285	0.4
233.18906	0.5
267.07520	0.4
275.20047	1.1
281.50430	0.5
289.25266	0.8
293.21146	13.4
307.22617	1.0
331.26303	2.6
349.27383	100.0
350.27689	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03950	0.4
55.05518	1.8
57.03433	0.4
57.07080	4.3
60.82384	0.3
67.05223	0.3
67.05513	3.4
69.07072	2.4
71.04970	0.5
71.08632	2.8
71.57298	0.4
76.45686	0.3
79.05488	2.8
81.07059	5.0
83.08607	1.0
85.06531	2.0
91.05477	1.2
93.07051	2.7
95.08615	5.0
97.06577	0.5
97.10157	0.4
99.08102	1.5
105.07027	2.1
107.08611	2.7
109.06525	15.5
109.10166	1.6
111.08068	0.7
117.07002	0.4
119.08591	1.6
121.06519	0.3
121.10172	1.7
122.07288	1.6
123.08078	22.9
123.11721	0.5
133.10136	0.8
135.08076	2.3
135.11739	0.6
137.09596	1.0
137.13278	0.4
145.10135	0.7
147.11710	0.8
159.11729	0.8
165.12816	0.7
167.14293	0.5
173.13191	0.4
175.14888	0.5
179.14320	100.0
180.14690	1.0
193.15894	2.8
194.63699	0.4
200.68417	0.4
203.35451	0.4
242.68343	0.4
273.53568	0.4
275.19788	0.4
331.26321	2.0
349.27390	92.3
350.27878	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59859	3.7
53.03951	8.1
55.01861	12.4
55.05515	36.9
56.96558	5.7
57.03439	23.3
57.07072	3.4
65.03929	3.6
67.05505	50.0
69.03435	8.5
69.07072	34.0
71.02265	3.1
71.04987	5.0
71.57114	6.4
78.67081	3.1
79.05498	72.8
81.07056	46.9
83.04977	8.2
83.08628	14.8
85.02917	8.1
85.06552	8.8
88.66063	3.0
91.05486	69.0
93.07039	48.9
95.04948	8.5
95.08613	33.7
97.06527	12.3
97.10176	13.6
98.97575	7.7
103.05520	4.2
105.07032	84.8
107.04958	18.2
107.08604	93.4
109.06528	5.5
109.10171	19.2
111.08076	9.2
112.17041	3.3
117.07016	22.6
119.08589	43.0
121.06494	3.9
121.10162	18.2
125.09637	12.3
129.06978	8.2
131.04913	4.2
131.08563	35.2
133.10139	48.4
135.08061	5.3
135.11700	12.2
137.09637	4.2
143.08549	15.2
145.10127	79.4
147.11676	33.1
149.09673	16.1
155.08607	5.2
157.10152	13.1
159.11691	34.2
161.09630	5.6
161.13266	12.7
163.11163	9.3
169.10101	7.5
171.11697	13.9
173.13309	8.5
175.11154	6.0
175.14792	5.9
179.14377	4.3
183.11749	9.3
185.13254	14.0
189.11301	7.6
197.13315	4.1
201.16479	3.6
203.14275	5.0
207.16077	3.2
216.14922	3.5
219.17421	6.4
229.19534	3.9
239.17957	20.3
247.20546	4.9
257.19000	57.1
275.20050	64.3
313.17691	3.6
331.22510	7.4
349.07004	9.6
349.19751	78.3
349.23776	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	20.0
55.01883	16.9
55.05302	3.0
55.05520	31.7
55.98935	2.4
56.96566	7.8
57.03441	35.4
57.07074	2.7
61.02909	8.0
65.03932	4.9
67.05508	82.9
67.65012	2.5
69.03421	5.1
69.07072	64.9
70.14670	7.6
70.15056	5.7
71.05000	7.5
73.02910	6.7
79.05495	69.9
81.03419	34.0
81.07063	100.0
83.04975	16.6
83.08612	15.1
84.82305	2.5
85.02906	8.1
85.06550	7.7
91.03954	4.7
91.05488	91.3
93.07048	73.7
95.01340	25.5
95.04976	24.7
95.08612	75.8
97.02909	5.3
97.06514	20.1
97.10191	5.7
99.04439	3.3
99.08126	2.8
103.05450	4.1
105.07034	93.8
107.04961	41.8
107.08601	38.3
108.24020	2.9
109.06544	16.1
109.10177	15.8
111.08079	6.2
117.07017	30.1
119.04949	4.4
119.08588	61.1
121.06509	10.3
121.10152	19.3
123.04469	4.8
123.08079	10.7
123.11669	3.7
125.09651	6.0
129.07031	4.9
131.08575	41.2
133.10143	55.4
135.08086	8.2
135.11691	16.3
137.05998	4.5
137.09653	8.1
141.07031	3.6
143.08583	8.9
145.06525	5.6
145.10117	33.2
147.11700	27.7
149.09621	11.7
149.13229	9.8
157.10184	8.1
159.08136	2.8
159.11703	31.9
161.13272	11.6
163.11157	4.2
169.10136	8.0
171.11711	6.3
173.13263	6.9
177.12775	8.3
179.14297	31.2
183.11723	3.5
187.11209	8.0
187.14853	3.0
195.82173	2.7
197.13268	4.0
201.16483	4.1
205.12251	5.9
206.71954	3.1
212.93643	2.8
219.17448	55.8
229.19542	5.0
239.17975	3.9
241.14452	3.3
247.20576	7.1
257.19067	7.7
275.20065	91.1
301.20108	7.5
317.18079	9.7
349.17667	3.6
349.18719	3.4
349.23764	72.2
349.27380	2.6
349.33954	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15754	1.4
53.03944	2.8
55.01859	5.0
55.05513	15.6
56.96561	11.1
57.03439	17.0
57.07072	3.9
61.02914	4.2
67.05176	2.5
67.05508	33.1
69.03458	1.8
69.07076	19.9
71.04995	3.7
71.09583	3.0
73.02908	2.3
73.19852	1.6
77.00900	1.7
79.05061	2.3
79.05500	27.1
81.03424	2.6
81.07061	39.5
83.04993	7.7
83.08615	7.9
85.02908	3.3
91.05486	26.1
93.07050	31.7
95.04985	8.2
95.05490	1.5
95.08610	24.2
97.02909	3.3
97.06525	6.5
97.10212	2.8
98.97616	1.8
105.07030	28.2
107.04955	9.4
107.08602	22.0
109.06531	12.9
109.10177	10.6
117.07016	9.5
119.08582	18.1
121.06510	12.2
121.10135	11.9
123.08080	8.0
123.11694	3.2
125.09658	2.0
129.06947	2.7
131.08577	18.9
133.06499	4.3
133.10136	19.7
135.08073	5.2
135.11690	6.2
137.05954	2.8
137.09612	1.8
137.13388	1.5
142.07835	1.8
143.08575	3.3
145.06494	2.6
145.10110	14.3
147.08047	3.8
147.11696	17.8
149.09627	7.5
149.13295	5.4
151.11198	3.4
155.08467	2.2
157.10175	2.6
159.08072	2.5
159.11688	10.7
161.09657	4.4
161.13293	3.9
163.11194	7.1
171.11679	3.6
173.09644	4.0
173.13290	6.2
175.11229	3.4
177.12802	3.1
179.14320	4.7
183.11703	2.9
185.13280	2.2
187.11224	2.6
191.14267	2.5
197.13284	2.0
199.06410	3.1
201.12830	3.5
207.13754	3.4
211.06197	1.8
213.08047	2.1
215.17990	3.6
219.13844	4.5
229.07492	4.5
229.19560	3.7
231.09029	1.7
239.17967	3.4
243.09074	2.5
247.08614	2.4
247.20628	6.6
257.19037	15.9
267.09021	5.3
269.10608	2.9
275.20078	100.0
278.04419	1.9
285.10150	3.6
293.21097	9.1
301.20245	4.8
315.83694	1.7
331.16055	2.2
349.07101	3.7
349.17294	10.3
349.23746	51.4
349.27527	8.3
367.18112	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01886	4.2
55.05273	1.1
55.05514	13.2
55.47989	0.7
56.96556	2.6
57.03193	1.2
57.03442	14.6
57.07057	3.4
59.04997	1.0
65.03924	1.7
67.05511	27.0
69.03419	2.1
69.07072	19.5
71.04977	2.0
71.08604	0.9
71.56960	1.1
79.05499	20.0
80.05826	0.7
80.80374	0.9
81.03374	1.0
81.06578	1.6
81.07062	32.5
83.04983	6.5
83.08620	8.7
85.06531	1.5
91.05487	23.5
93.07050	28.1
95.04981	7.7
95.08607	19.4
97.02896	1.0
97.06530	4.3
97.10162	3.4
99.08069	1.1
99.28934	0.8
105.07039	27.9
107.04966	9.7
107.08606	16.8
108.08126	0.9
109.06528	10.4
109.10168	8.3
110.09682	7.0
111.08082	1.7
111.10018	3.0
117.07030	7.6
119.08588	15.7
121.06512	11.3
121.10145	9.6
123.04424	1.9
123.08076	6.0
123.11692	3.2
124.74480	0.8
125.09613	1.3
128.06224	0.8
129.07002	2.7
131.08580	15.9
131.37402	0.8
131.38533	0.8
133.06483	2.9
133.10144	18.1
135.08086	5.8
135.11700	6.5
136.82185	0.9
137.05949	2.8
137.09599	1.3
137.13226	0.8
138.06311	1.9
141.07014	1.9
143.08572	3.3
145.06548	1.9
145.10129	12.8
147.08051	3.0
147.11691	10.3
149.09682	6.2
149.13252	3.0
151.11200	5.7
152.67047	0.8
155.08574	1.9
157.10149	3.4
159.08084	2.8
159.11697	8.4
161.09622	3.6
161.13261	2.2
163.11206	6.1
163.14757	0.8
165.12772	1.8
169.10132	1.2
171.11690	3.0
173.09674	3.2
173.13307	5.3
175.11198	2.5
177.12750	2.2
179.14244	2.0
183.11728	1.6
187.11226	2.2
189.12721	1.5
191.14307	2.9
197.13274	2.1
199.06548	1.1
199.14890	1.0
201.12790	2.9
207.13875	2.6
213.07991	2.4
213.16391	1.1
215.14305	1.7
215.17972	1.6
217.15886	0.9
219.13809	3.8
229.07567	3.8
229.19554	2.6
231.09035	2.1
231.17342	1.5
233.13771	0.9
234.14478	2.2
239.18007	3.4
241.11185	0.8
243.09157	1.0
247.08531	1.7
247.20677	5.3
257.19046	16.0
269.10458	1.5
275.20078	100.0
276.20569	1.8
293.21106	8.8
294.21112	0.9
303.21536	2.6
349.17346	5.3
349.23752	52.1
349.27029	2.2
353.18369	0.7
367.17947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.02370	1.1
53.03933	3.1
55.01874	6.3
55.05513	20.1
56.96561	2.4
57.03449	8.8
57.07069	1.4
65.03929	3.3
67.05510	46.1
69.03410	3.0
69.07076	26.1
69.61566	6.2
71.04965	2.0
73.02911	1.3
76.39050	1.0
79.05498	42.0
79.32044	0.9
81.03405	3.4
81.07064	51.9
83.04965	3.6
83.08635	7.5
85.06551	1.3
91.05486	39.8
93.07050	36.9
93.84004	1.1
95.04998	7.7
95.08616	31.6
97.06541	7.1
97.10165	3.3
98.20744	2.0
99.08111	1.8
103.05479	2.2
105.04506	1.2
105.07037	44.6
107.04959	7.8
107.08602	28.2
109.06528	6.7
109.10158	12.6
111.08095	2.5
117.07044	16.6
119.08587	31.3
121.06493	3.5
121.10138	14.5
123.08051	4.8
123.11689	4.6
125.09605	3.3
129.06999	4.5
130.07777	2.5
131.08577	23.9
133.06407	1.5
133.10135	30.5
135.08041	5.0
135.11694	9.6
137.05946	1.6
137.09593	3.6
139.11145	1.4
141.06944	2.1
143.08562	6.9
145.10132	42.7
147.08040	1.5
147.11696	19.8
149.09618	7.1
149.13269	3.9
151.11203	2.3
155.08574	2.5
157.10107	5.1
159.11693	16.2
161.09630	2.9
161.13278	6.6
163.11180	4.0
163.14832	1.6
165.12749	2.9
169.10136	4.2
171.11710	7.5
173.09531	1.7
173.13274	9.6
175.11166	1.9
175.14842	1.7
177.12753	3.1
179.14290	2.0
183.11687	4.7
185.13200	3.0
187.14815	2.1
189.11247	1.6
191.14352	1.2
197.13271	4.7
199.14915	1.3
213.16443	1.2
219.13739	1.4
229.19566	4.2
239.17949	11.5
243.09367	1.1
247.20583	4.8
257.19034	32.9
265.21548	1.4
267.08911	1.5
275.20093	50.0
331.15717	2.2
331.22647	2.8
341.94373	1.2
347.71359	1.1
348.33115	1.1
349.16653	4.5
349.20331	3.9
349.23727	100.0
350.24106	1.7
353.74854	1.3
367.17770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
50.43789	0.9
53.03933	4.1
55.01865	3.7
55.05510	17.2
56.96557	2.0
57.03444	30.8
57.07083	1.4
61.02898	1.2
65.03928	2.5
66.15535	1.0
67.05508	31.3
69.03405	2.0
69.06711	1.5
69.07070	14.6
71.04980	2.5
71.26254	2.3
73.02896	1.2
77.03911	1.4
79.05499	44.9
81.07063	37.0
83.04969	2.2
83.08627	9.8
85.06538	5.2
87.04512	1.3
91.03962	1.2
91.05486	52.6
93.07050	44.4
95.04969	5.0
95.08607	30.2
97.06518	4.7
97.10161	3.5
98.97578	1.2
99.08068	2.8
103.05449	2.1
105.04478	1.5
105.07039	63.4
107.04946	3.0
107.08602	28.7
109.06519	5.5
109.10153	7.3
111.08067	2.6
115.05465	2.1
116.06216	1.4
117.07021	25.9
119.08590	49.7
121.06519	3.1
121.10154	14.0
121.69689	1.1
123.08086	4.0
123.11658	1.7
125.09642	2.6
128.06226	3.0
129.05469	1.7
129.07022	11.9
130.07797	2.4
131.08575	30.3
133.10144	25.9
135.08047	3.3
135.11707	7.2
137.09674	2.4
141.06996	3.2
142.07750	2.1
143.08562	10.7
144.09348	2.2
145.10132	42.1
145.11295	2.1
147.11696	26.0
149.09599	6.7
149.13156	1.7
155.08589	5.2
157.10150	16.3
159.08109	1.3
159.11707	41.2
161.09624	4.2
161.13277	14.6
163.11185	3.7
163.14752	1.0
169.10150	5.5
171.10364	1.2
171.11639	6.1
173.09615	1.1
173.13277	16.6
175.11220	3.1
175.14874	6.3
177.12732	3.1
183.11707	6.7
185.13257	22.1
187.11166	2.6
187.14850	2.7
189.11183	1.8
189.12819	1.9
191.14095	1.1
197.13283	5.8
199.14853	2.0
201.12836	1.2
201.16371	3.4
203.14375	10.1
205.15982	1.1
211.14845	1.8
213.16399	1.8
215.17978	2.3
219.17468	14.3
221.15384	3.1
229.15866	1.6
229.19513	4.7
239.17911	18.7
241.19487	1.3
257.19019	39.2
259.20377	1.2
274.99454	1.0
275.20087	36.5
277.17972	4.1
318.15573	1.3
331.22812	6.3
348.72052	1.6
349.07172	1.5
349.20139	4.7
349.23737	100.0
350.24170	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	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03940	5.9
55.01877	12.2
55.05516	23.2
56.96567	4.4
57.03226	1.5
57.03444	15.2
57.07070	3.0
59.05016	2.1
61.02925	3.1
65.03950	2.8
67.05508	47.9
69.03426	2.9
69.06724	2.4
69.07076	39.8
69.32029	1.5
69.82425	8.0
71.04987	4.3
73.02945	1.6
77.41923	1.3
79.05499	64.8
81.03417	4.4
81.07063	47.3
83.04980	6.3
83.08621	13.1
85.02900	1.7
85.06548	3.3
91.05483	45.2
93.07050	41.6
95.01371	3.3
95.04948	9.6
95.08611	27.4
97.02918	3.0
97.06535	20.5
97.10178	9.5
97.19604	1.6
98.03249	1.5
98.20811	1.9
98.97591	4.5
99.81845	1.4
104.70403	1.3
105.07034	53.8
106.07351	1.7
107.04955	13.8
107.07864	2.9
107.08601	58.6
109.06510	6.2
109.10162	14.0
111.08088	3.2
115.05501	2.2
117.07032	16.4
119.08579	29.3
121.06507	5.8
121.10146	13.4
123.08090	3.1
123.11694	4.0
125.09646	8.9
128.06224	1.4
128.98650	1.7
129.06985	5.7
130.07748	2.1
131.08571	28.2
133.06509	2.0
133.10139	35.9
135.08057	4.7
135.11734	9.5
137.05983	3.6
137.09627	3.9
141.06975	3.6
141.88570	1.4
143.08611	6.9
145.10127	50.6
147.11685	22.0
149.09630	21.2
149.13284	4.8
151.11095	1.8
153.09171	2.0
155.08603	1.6
157.10139	6.2
159.11708	21.4
161.09692	3.6
161.13246	8.8
163.11182	9.8
165.09087	1.8
169.10147	4.3
171.10373	1.7
171.11687	8.1
173.11855	3.2
173.13284	9.6
174.97874	1.6
177.00787	1.8
177.12773	5.1
179.14311	4.4
181.12312	1.9
183.11719	6.2
185.04689	1.9
185.13297	2.7
187.11256	4.3
187.14742	2.3
189.11209	6.0
197.13268	4.7
215.14384	1.9
215.17940	2.4
225.07932	1.6
229.19534	4.3
239.18033	11.3
243.09259	2.4
247.20532	4.2
257.19012	35.7
275.20059	65.2
331.15833	2.3
331.22540	5.0
348.65396	1.9
349.07111	3.0
349.16794	3.2
349.19794	41.8
349.23782	100.0
367.17722	2.8
371.67212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
56.96574	1.3
57.03431	0.5
61.38194	0.2
62.84822	0.3
67.05498	1.0
69.07043	0.7
69.77923	1.3
69.78342	0.4
79.05474	1.1
81.03393	0.3
81.07048	1.4
83.08617	0.5
85.02924	0.5
89.69057	0.3
91.03947	0.4
91.05475	0.9
93.07027	1.2
95.08611	0.9
97.10188	0.3
98.97581	0.8
99.85724	0.3
105.07053	0.8
107.08575	0.9
109.10167	0.8
116.98669	0.3
117.07016	0.5
119.08580	1.0
121.10188	0.4
123.08082	0.3
123.11726	0.3
127.03884	0.3
131.08597	0.7
133.10144	0.6
137.05750	3.2
143.08559	0.3
145.10124	0.9
147.11682	0.3
157.10181	0.3
159.11685	0.6
178.55339	0.3
183.11705	0.4
221.11562	0.5
235.13026	1.1
253.12827	1.0
257.18976	0.4
271.13840	0.4
275.20438	0.4
289.85800	0.3
331.15765	0.6
339.64954	0.3
349.19867	100.0
350.20093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01875	25.8
55.05515	29.2
56.96554	3.8
57.03442	20.4
57.07057	3.6
61.03385	1.6
65.03926	3.4
67.05510	60.3
69.03412	3.0
69.07074	32.1
69.88511	8.0
71.04972	4.4
73.02883	1.8
79.05500	78.4
81.03435	12.8
81.07064	69.3
83.04995	12.5
83.08642	8.9
85.02854	4.6
85.06512	3.1
91.03917	4.6
91.05488	57.9
93.07054	56.5
95.01308	7.6
95.04977	15.7
95.08611	43.3
97.02907	3.9
97.06537	39.7
97.10168	10.8
105.04476	2.1
105.07040	72.0
107.04321	1.8
107.04966	24.8
107.08601	40.0
109.06524	11.1
109.10155	17.4
111.08044	4.5
114.30739	1.8
115.05454	2.8
117.07019	22.3
119.08589	62.8
121.06567	7.5
121.10145	21.7
123.04401	1.8
123.08063	12.6
123.11693	5.3
125.09593	5.7
127.03915	1.8
129.06966	4.8
130.07661	1.8
131.08582	32.0
133.10136	60.3
135.08061	9.9
135.11697	10.0
137.06000	3.3
137.09578	4.3
139.07526	2.5
141.06970	5.9
143.08530	6.4
145.06496	2.1
145.10130	23.2
147.08044	2.7
147.10654	2.2
147.11711	25.0
149.09634	19.4
149.13251	7.2
151.11128	2.6
155.08543	2.2
157.10150	9.2
159.11703	20.5
161.09671	4.1
161.13254	6.2
163.11162	4.9
165.09114	3.3
169.10104	4.2
171.11679	6.3
173.13295	9.2
175.11119	2.1
177.12695	4.0
179.14299	14.5
183.11661	4.2
185.13150	2.5
187.11171	3.1
187.14746	1.6
189.11191	4.2
197.13225	4.9
205.15901	1.8
219.17479	2.4
223.13214	2.4
229.19528	5.1
239.17854	6.3
241.14034	1.7
247.20581	5.2
257.19016	14.4
275.20081	100.0
284.59198	1.5
293.21051	2.8
301.20071	3.3
317.17709	6.3
349.19714	23.8
349.23657	89.8
349.27219	4.2
350.23514	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	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
56.96558	1.9
57.03429	1.6
67.05507	3.2
69.03421	0.5
69.07063	2.2
71.04978	0.7
73.02921	0.6
77.00874	0.7
79.05503	3.6
81.03423	0.6
81.07072	3.2
83.04941	0.5
83.08620	2.2
85.02894	0.9
91.05494	4.2
92.65632	0.4
93.07032	2.8
95.08608	2.0
97.06538	0.8
97.10118	0.7
98.21449	1.2
98.97588	1.2
99.04467	0.5
102.18141	0.5
105.07045	4.9
107.08586	3.1
109.10176	1.1
117.07038	1.4
119.08575	3.1
121.06496	0.9
121.10161	1.7
121.40953	0.5
123.08108	0.6
125.09667	0.6
129.07007	0.9
131.08565	2.9
133.10126	2.4
135.11646	1.0
137.06007	2.2
143.08606	1.1
145.10149	6.0
147.11722	2.2
149.09662	0.6
157.10101	0.6
159.11716	2.5
161.13235	0.8
171.11678	1.2
173.13286	1.0
183.11702	0.6
184.07378	0.8
239.11330	1.1
239.18066	1.3
257.12326	0.7
257.18979	3.9
275.20111	1.8
281.12411	0.8
317.10406	0.6
331.18515	1.8
331.22565	0.5
349.19907	100.0
349.23663	5.9
350.20184	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82502	0.3
55.01891	0.4
55.05511	1.6
56.96557	0.9
57.03436	0.5
58.06610	0.4
59.85142	0.4
60.19802	0.3
61.02933	0.4
67.05511	2.6
69.07063	1.5
71.56628	0.4
79.05145	0.3
79.05499	2.3
81.07060	2.7
83.08617	0.8
85.02887	0.5
86.09753	0.4
91.05479	2.5
93.07065	2.1
95.04944	0.4
95.08607	1.3
96.08143	0.5
97.06533	0.7
97.10175	0.8
98.97587	0.7
99.50626	0.3
101.61556	0.3
105.07052	2.3
107.08578	1.7
109.06512	0.4
109.10138	0.9
111.04243	0.3
112.57831	0.3
117.07050	0.7
119.08572	1.6
121.10088	0.5
123.08118	0.5
124.07604	0.4
125.09677	0.4
131.08572	1.1
133.10139	1.1
135.11682	0.5
137.05814	1.2
138.09210	0.3
145.10150	1.9
147.11685	1.1
149.09615	0.4
149.13292	0.5
153.02293	0.3
159.11700	1.3
163.11176	0.5
173.13316	0.5
198.60005	0.3
201.09744	0.5
209.09726	0.3
221.11516	0.5
235.13173	0.5
253.12871	2.7
257.19110	1.6
261.14664	0.8
271.13864	0.8
273.18427	0.4
275.20123	1.7
279.14343	0.4
331.15152	0.6
331.18805	0.7
333.00153	0.3
345.06464	0.6
349.19879	100.0
349.23389	4.6
350.20090	1.6
350.23920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.3
56.96571	42.9
57.03434	14.4
57.07070	4.3
65.03957	4.1
67.05502	32.6
69.03414	4.7
69.07073	26.0
71.95259	3.6
72.96069	3.7
79.05493	36.0
81.07057	40.3
83.04996	7.0
83.08608	5.5
83.64068	3.0
91.05473	33.8
93.07049	46.4
95.04976	7.1
95.08617	26.7
97.02892	5.6
97.05623	2.9
97.06515	2.9
97.10153	4.1
98.21616	6.3
98.97594	4.3
105.07040	36.4
107.04966	9.2
107.08611	24.4
109.06532	14.0
109.10162	10.9
110.97588	8.1
117.07032	9.6
119.08573	23.3
120.88625	3.4
121.06531	12.7
121.10152	11.7
123.08090	5.2
123.47691	3.3
128.98607	8.0
129.07088	3.0
131.08585	14.9
133.10120	17.9
135.08090	5.7
135.11691	6.7
137.06003	10.0
138.06325	4.0
143.08543	6.8
145.10100	18.8
147.08046	6.3
147.11684	10.5
149.09680	8.9
149.13297	5.7
151.11137	5.8
153.02200	4.5
157.10194	4.4
159.11713	14.4
163.11136	6.7
167.03760	3.3
171.03264	7.3
173.13284	6.5
175.92816	3.2
179.14299	4.9
185.04860	5.9
187.11208	5.2
190.49397	3.1
197.13304	5.6
199.06425	8.5
203.05917	7.2
211.06372	4.0
213.07976	7.0
215.17926	3.4
217.07513	4.3
219.13965	3.9
223.08305	3.5
229.07605	5.0
231.09032	4.9
237.07921	4.7
243.09035	6.9
245.10744	3.3
251.09506	8.5
255.08958	24.0
257.19025	13.9
267.09079	22.6
269.10568	32.7
273.10126	9.9
275.20056	100.0
280.09680	4.7
285.10019	32.3
287.11685	6.3
293.21161	7.9
301.20135	6.8
320.18646	5.1
331.15814	22.9
335.26074	3.6
344.94534	4.5
349.17044	54.3
349.23627	41.4
349.27451	6.9
367.17978	19.2
372.18369	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	349.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
53.70249	3.0
54.93587	3.1
55.05511	10.3
56.96573	68.8
57.03445	6.1
58.84274	3.0
61.02942	3.7
67.05515	19.5
67.90521	2.7
69.07076	14.8
70.20602	7.0
70.21008	5.5
71.95267	12.2
79.05500	16.6
79.08508	2.8
81.07072	19.2
83.08614	6.8
85.02890	3.8
91.03977	6.8
91.05479	13.9
93.07055	10.0
95.04965	3.6
95.08608	11.9
97.02915	4.3
97.10143	6.0
98.97579	4.4
105.07050	14.3
107.08591	11.9
109.06560	4.3
109.10155	3.8
110.97579	12.7
117.06989	4.5
119.08619	7.6
121.06487	4.8
121.10139	4.5
123.08079	5.6
128.98651	8.4
131.08592	5.2
133.10104	7.3
137.02718	3.0
137.06013	23.3
137.41745	3.1
138.06303	3.9
141.02318	3.0
145.10132	4.7
149.66881	3.2
151.00662	4.1
159.11685	3.6
167.03738	4.4
169.01755	4.2
171.03339	6.7
179.14351	7.4
185.04881	13.3
189.04416	3.3
195.07112	4.1
199.06425	13.5
203.05937	9.4
205.07462	4.5
211.06454	7.2
213.08003	9.3
216.05193	3.4
217.07492	16.6
223.06374	3.6
225.07965	7.5
229.07550	6.3
231.09023	6.6
237.07948	6.4
239.09465	5.8
243.09113	7.3
249.08057	5.0
251.09563	13.1
255.09109	32.6
255.30620	3.1
263.09427	3.5
267.09079	27.4
269.10590	32.2
273.10089	12.4
275.20126	23.4
278.10648	7.4
280.09781	4.6
285.10168	27.5
287.11526	6.3
289.83221	3.3
292.12225	5.8
301.20096	5.0
309.13538	5.1
320.18588	6.1
331.15820	45.3
349.16876	100.0
349.23837	11.4
349.27472	6.7
367.18033	37.8
372.18500	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	348.2747
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
53.03955	1.0
55.05521	4.3
56.05047	3.6
56.96588	0.8
57.03445	1.6
58.06606	1.0
60.04530	100.0
60.64733	0.7
67.05507	11.2
68.05046	0.8
69.07072	3.4
69.61565	3.5
69.61975	1.1
70.06587	2.3
71.04984	1.5
72.04523	2.2
73.02934	0.8
73.16280	0.6
74.06087	2.7
79.05501	9.4
80.05046	1.3
81.03399	0.7
81.07064	11.3
82.06583	2.9
83.04989	1.9
83.08635	1.6
84.04504	0.8
84.08173	0.8
85.06531	0.8
86.06093	1.1
87.04529	0.7
89.06095	0.9
90.05546	1.3
91.05489	10.8
93.07054	8.5
94.06573	2.1
95.04984	1.9
95.08619	9.6
96.08122	1.2
97.06553	1.8
98.97579	1.2
100.07663	0.8
102.05554	1.3
105.07058	4.6
107.08599	4.6
109.06506	0.8
109.10164	3.4
112.07623	1.6
116.07072	0.9
117.07043	2.1
119.08595	4.4
120.08174	1.2
121.02897	1.4
121.06489	1.3
121.10126	4.6
123.11714	1.6
125.09715	0.8
129.06976	1.2
131.08588	2.5
133.10139	4.5
135.11720	2.9
136.06215	0.8
145.10120	2.0
147.11713	2.4
149.13326	0.9
151.07628	0.8
157.10228	0.8
159.11772	0.8
161.13232	1.5
165.09084	0.9
173.13292	0.9
177.81563	0.7
194.06660	0.7
214.08578	1.0
227.16434	1.2
229.10997	2.4
255.79382	0.7
257.04114	0.9
259.20511	0.9
260.09915	1.0
262.09348	1.4
272.12778	1.2
276.23364	3.3
280.10339	1.6
294.24182	4.7
304.10272	0.9
304.18536	1.6
306.14578	0.9
312.25351	8.6
321.07608	1.6
330.13406	1.5
330.17294	1.5
330.26413	33.7
331.00980	0.6
348.09399	1.8
348.18005	11.1
348.27448	95.1
349.07095	5.6
349.27817	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59842	0.7
55.01863	1.1
55.05501	2.9
56.61388	0.7
56.96569	37.7
57.03435	2.1
57.07063	1.0
59.06633	0.8
61.02925	1.9
66.16036	0.7
67.05508	4.4
69.07077	11.1
70.09180	0.7
71.95278	3.9
72.96036	2.2
73.02891	0.7
79.05495	5.6
81.03409	1.5
81.07066	7.4
83.08622	1.9
84.96012	2.8
91.03941	1.2
91.05473	4.7
93.07067	3.8
95.08610	3.7
97.02880	1.8
97.06541	1.3
97.96812	1.6
98.21505	2.5
98.97606	4.2
105.00158	1.6
105.07033	3.5
107.04966	0.8
107.08596	3.4
109.06544	3.9
109.10171	1.5
110.97572	14.4
112.99142	1.0
115.00671	1.1
116.98603	2.0
117.07034	0.8
119.01692	1.4
119.08594	2.4
120.08070	1.1
121.10116	1.7
123.01199	2.2
128.98621	13.6
131.00182	0.8
131.08559	1.3
133.10100	2.6
133.59151	0.8
135.08022	0.7
135.11737	1.1
137.02718	2.3
137.06021	1.2
139.00742	1.0
141.02208	1.9
143.00143	2.3
145.03445	1.0
145.10123	1.7
146.99670	5.9
147.11719	1.8
147.42160	0.8
149.01198	1.0
151.00635	1.2
153.02205	2.4
155.03836	1.4
157.01726	1.1
159.03323	1.2
159.11769	0.9
160.03979	2.1
161.01259	1.9
165.02286	0.9
167.03813	2.2
169.01755	1.7
169.05403	1.3
171.03316	2.9
173.04858	1.1
175.02773	1.1
177.07831	1.3
181.05394	2.5
183.03328	1.1
185.04921	4.7
187.06430	2.3
189.04369	1.7
191.05980	1.1
194.99591	0.9
197.04802	1.1
199.06421	15.0
203.05969	3.8
205.01724	1.7
205.07477	8.2
207.03293	1.3
207.06973	1.3
209.08586	1.2
209.42842	1.0
211.06380	4.5
213.07874	1.3
217.07483	11.6
219.03317	1.1
219.07091	0.9
222.08000	1.5
223.02794	3.3
223.08519	3.9
225.08035	5.1
226.05185	1.2
227.09616	1.8
229.07491	4.3
233.08354	0.9
235.06508	1.0
237.04341	4.1
237.07977	8.2
239.09628	2.8
243.09006	5.0
251.09521	3.2
253.11078	4.4
255.09064	30.9
257.10706	1.2
261.10104	1.2
262.08749	1.9
265.11044	1.0
269.10608	2.3
271.12125	1.5
273.10165	15.1
275.20078	3.4
278.10693	4.9
279.09012	1.9
280.09827	9.4
281.10654	2.2
295.08649	1.4
297.10037	1.3
298.10812	3.5
301.19983	2.1
303.16165	1.7
313.14468	1.4
320.18634	2.4
321.17313	1.3
331.15793	56.5
349.16849	100.0
349.23792	4.0
350.17191	2.2
367.17981	23.7
372.18469	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40641	2.1
55.01867	4.4
55.05516	26.3
56.96556	4.5
57.03422	9.7
67.05509	83.7
67.13563	2.1
69.07072	17.7
70.95376	5.9
71.04992	5.2
71.08618	13.8
76.00238	2.2
76.94726	2.5
79.05499	22.2
80.26218	2.5
81.07065	49.0
83.04972	4.4
83.08626	19.5
85.06532	3.3
86.09705	5.1
90.34830	2.4
91.05486	16.9
93.07053	27.8
95.04958	4.5
95.08604	27.2
97.06519	9.5
97.10189	18.4
98.97594	2.9
99.08080	12.2
105.07032	10.6
107.08622	19.4
109.10162	62.7
110.94327	2.7
111.08090	7.9
117.06977	5.7
119.08566	14.1
121.10143	8.5
123.11739	5.3
125.00005	5.9
125.09648	16.2
131.08549	6.9
133.10117	10.9
135.08008	2.5
135.11659	9.9
137.09650	3.5
139.11182	3.0
145.10086	4.1
147.11674	4.4
149.13271	19.6
151.11186	9.7
155.10683	39.7
156.05759	2.3
159.11697	8.5
160.40848	2.5
161.13216	5.4
163.11172	2.8
165.12746	2.3
171.10143	4.0
173.11749	100.0
177.12767	4.2
179.14310	5.1
184.07358	8.3
189.11252	18.7
190.14348	3.0
195.13820	48.0
195.15500	4.1
213.14868	28.5
231.21187	4.0
257.18967	3.1
259.20529	5.5
277.21646	44.6
285.10117	3.4
295.22723	29.1
303.11072	3.0
348.18234	5.8
348.21957	3.4
349.19708	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	348.2172
Annotation	CHEBI:69895
Peak:m/z	Relative Intensity
53.03942	0.5
55.01849	0.7
55.05512	2.2
56.05038	0.6
57.07050	0.3
59.75853	0.3
67.05508	4.8
69.07065	3.4
71.04982	0.8
79.05501	1.9
81.07061	5.8
83.04984	0.7
83.08609	0.8
85.06537	0.9
91.05062	0.3
91.05493	3.3
93.07032	2.3
95.04951	0.5
95.08585	2.0
97.06504	0.8
103.05455	2.2
105.07038	2.9
107.04945	0.4
107.08604	2.0
109.10171	3.1
115.05448	1.9
117.07029	2.0
118.06537	0.8
119.04979	0.5
119.08578	0.8
121.10159	0.6
122.83007	0.4
123.03564	0.5
123.04433	6.0
123.11705	0.7
128.06215	2.3
129.07011	7.4
131.04933	6.8
131.08559	0.6
133.06477	1.0
133.10118	1.6
135.11639	0.4
136.06194	5.6
137.05975	4.4
141.06950	0.5
143.04924	1.4
143.08577	3.0
144.05782	0.3
145.06488	2.6
146.06003	1.5
147.04424	4.4
147.08060	0.9
148.05151	1.1
149.04849	0.7
149.05984	16.1
149.13292	0.4
151.07516	0.4
151.11209	0.4
153.06953	0.3
154.12270	0.9
155.08530	0.5
157.06491	6.4
159.08041	0.8
159.11737	0.3
160.05179	2.3
161.05991	14.3
162.06725	0.8
163.07544	2.5
164.07072	48.0
165.07300	0.6
166.08636	0.8
168.13844	1.4
169.06462	0.7
171.08046	3.2
173.05989	7.4
175.07555	31.0
177.09193	0.5
183.08049	1.7
185.09625	0.7
186.14937	0.4
187.07550	3.4
188.08502	0.4
189.09119	5.1
195.08202	0.3
197.09650	0.5
199.07722	0.4
199.11208	0.4
201.09096	2.7
203.10680	1.2
213.09171	0.6
215.10719	0.7
261.87973	0.3
285.18454	0.7
295.17026	0.6
304.18262	0.5
313.17987	5.7
330.20386	0.7
331.19009	5.6
348.21707	100.0
349.21899	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01851	2.2
55.37466	1.7
56.96558	2.9
57.03423	7.7
58.06608	17.3
61.02925	10.1
61.16906	1.7
69.03432	22.9
69.59546	1.5
70.06587	2.9
71.05000	3.7
71.36139	2.5
72.08143	1.6
73.02913	3.0
74.06045	1.9
75.82074	1.9
79.42564	1.8
81.03411	6.6
83.01334	2.7
84.04501	3.6
85.02909	100.0
86.09697	10.1
91.03940	6.3
91.05466	3.1
95.14558	1.6
97.02895	23.6
98.97578	4.9
99.04443	4.3
102.05524	6.4
109.02913	8.7
110.97555	2.3
123.04433	91.7
127.03925	22.2
137.05962	4.2
145.03922	2.5
145.04977	39.4
147.04417	3.3
150.06769	2.7
151.07527	4.8
163.06017	4.9
165.09164	9.1
169.04985	34.5
180.08684	14.2
181.06598	1.9
186.07629	5.6
189.09065	2.0
214.08490	2.1
215.13934	5.5
219.01723	2.5
235.06166	2.0
240.10059	2.4
243.13399	1.9
254.11731	3.7
264.10336	4.4
270.14926	5.0
280.09866	3.8
280.13293	7.4
282.11295	2.1
298.10986	3.2
298.14374	9.1
301.99255	2.0
312.12186	2.8
313.09418	2.3
330.13312	10.3
330.16992	18.1
348.14230	38.6
348.17944	66.8
349.08746	4.3
365.05432	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	348.1806
Annotation	Cephasugine
Peak:m/z	Relative Intensity
50.13894	0.3
60.33465	0.3
61.74042	0.3
67.30333	0.3
69.26279	1.8
69.26708	0.9
80.99797	0.3
150.06781	0.8
151.07503	0.8
154.75702	0.3
165.09126	1.7
176.07043	0.3
179.08510	0.7
180.33325	0.3
186.09178	0.9
190.08543	0.3
192.10210	1.8
195.08299	0.4
200.10724	1.3
207.08066	0.5
212.10672	1.1
214.08629	3.5
216.10214	0.8
218.11771	0.5
223.07777	0.3
223.09940	0.6
224.08340	0.7
224.10616	0.3
226.08615	0.3
228.10294	1.1
229.10974	10.1
229.13240	0.5
230.08179	0.4
230.11794	1.2
231.12634	0.4
235.07565	1.0
236.10564	0.3
240.10345	1.1
241.10921	1.3
242.11777	1.1
244.09715	0.9
244.13341	3.7
245.10515	0.9
246.11324	1.0
252.07785	0.4
253.08688	0.5
254.11833	1.2
255.12479	0.3
256.09781	1.0
256.13333	8.7
257.10513	0.4
258.11365	0.9
260.12787	0.3
264.10294	0.4
267.10287	1.9
268.13394	0.5
270.14957	0.9
272.12811	11.5
273.13599	2.2
274.14417	1.0
280.13379	0.6
281.72235	0.3
286.14282	0.5
287.15274	0.4
290.13937	0.5
298.14383	1.4
299.12714	1.0
304.15567	0.6
316.15390	2.2
330.16983	3.0
332.14920	2.5
333.15784	1.1
348.18066	100.0
349.18381	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10725	1.1
51.65372	1.2
53.23825	1.3
54.32887	1.1
56.96565	13.8
67.05510	2.5
69.07056	1.9
71.95280	3.3
81.07053	4.7
91.05477	4.3
93.07046	2.1
95.08579	1.8
96.33428	1.4
97.02924	1.3
98.21498	5.3
98.97585	100.0
105.07033	1.9
107.08598	1.4
110.09680	9.8
111.96678	1.2
116.98620	47.6
119.04924	1.6
119.08633	1.3
123.04449	3.1
134.99663	12.4
137.05952	4.5
140.00189	5.1
140.18848	1.2
142.31677	1.3
145.46312	1.4
154.14760	1.3
158.01228	2.7
165.09158	1.5
187.00661	1.4
189.04422	1.9
205.01726	5.5
223.02803	9.7
248.23737	6.6
249.04401	1.5
253.03929	2.5
267.05331	2.2
277.03839	46.4
292.06158	48.8
295.04892	48.4
301.20377	2.2
302.21060	4.9
307.08511	37.4
307.11993	3.1
310.07233	45.6
318.06509	7.6
325.09604	58.5
330.17047	4.4
331.15958	2.0
333.08838	8.8
343.10321	2.0
348.11206	14.3
348.18008	9.3
348.21671	4.1
348.32056	5.3
349.16916	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.7
55.05508	1.9
56.05037	6.3
58.99584	2.3
61.01155	1.6
67.05506	6.4
68.05022	0.7
69.03434	0.8
69.07080	4.5
69.68118	3.2
70.02957	1.6
70.06583	1.2
72.04524	3.0
74.00668	3.0
76.02230	2.5
79.05490	3.8
80.05009	1.9
81.03411	1.1
81.07078	3.0
82.43012	0.6
83.08652	1.2
84.04519	3.9
85.01151	1.5
85.02874	0.7
85.06568	0.7
86.00661	16.9
86.99061	2.6
87.02705	1.3
88.02229	2.4
90.05556	7.5
90.42558	0.7
91.05486	5.8
93.07051	8.9
95.04974	0.9
95.08637	4.2
96.73815	0.7
97.01125	15.8
97.06533	7.2
98.02400	1.8
98.06880	0.7
98.32067	0.7
98.97591	1.2
99.02702	2.0
100.02197	0.9
101.04238	0.8
104.01690	5.0
105.07045	1.4
107.08621	3.4
109.10170	5.2
110.06046	0.7
111.02650	1.1
111.08118	1.4
112.02177	0.8
113.00616	1.7
113.04259	0.9
115.56236	0.7
116.01695	9.0
116.03449	0.9
116.05315	1.0
117.07040	1.3
118.82796	0.6
119.08614	2.7
123.02641	0.9
126.05531	15.0
135.08029	2.5
135.11571	0.7
136.06197	1.4
136.11249	0.9
137.05946	1.0
137.09641	3.1
143.02759	0.9
144.06606	2.5
148.07178	0.7
151.05783	1.3
151.07590	1.0
152.07852	1.0
154.12294	8.1
158.02716	11.1
163.03958	1.3
166.12315	2.8
169.06859	3.3
172.13339	6.0
176.03816	1.2
176.07074	2.0
176.10777	1.2
177.07362	4.6
177.11096	1.5
178.12305	1.1
184.11688	0.9
184.13345	3.3
185.03833	1.3
195.08424	6.4
203.04836	0.9
204.10370	0.9
205.10867	1.9
206.11462	1.2
208.13364	0.6
212.11052	27.8
213.09464	2.0
219.01837	0.7
223.07875	1.4
226.14453	2.0
230.12102	17.4
230.14253	1.3
240.10518	8.3
244.15472	10.5
259.09766	2.1
274.13998	3.1
302.17685	2.2
303.17908	26.1
303.21088	0.9
312.12650	7.8
329.15250	3.5
330.13828	6.0
347.16434	100.0
347.20419	14.9
348.16754	1.6
348.21417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1316
Annotation	Nordercitin
Peak:m/z	Relative Intensity
50.76318	0.7
55.01871	0.9
55.05503	1.3
56.96560	1.8
57.03424	1.0
57.25632	0.5
58.06609	7.2
59.06933	1.5
59.94602	0.6
60.17327	0.6
61.02922	1.6
69.03440	4.2
70.00083	2.5
70.06568	0.8
73.02916	1.5
73.06559	2.3
81.03421	1.1
82.17793	0.6
82.46385	0.6
84.08160	0.6
84.96066	0.6
85.02911	10.5
86.09708	0.7
87.04449	0.7
91.03992	0.7
91.05476	0.8
92.02518	0.6
97.02892	4.3
97.94250	0.6
98.21484	1.1
98.97585	5.7
103.35899	0.6
109.02873	1.9
110.97591	1.3
113.03529	1.2
116.98607	1.5
123.04438	2.0
123.43634	0.6
127.03902	2.7
137.06010	1.6
141.19920	0.6
145.04994	1.6
147.04356	0.6
153.05577	0.7
158.99670	1.4
167.03140	0.5
167.06816	2.8
173.01227	1.2
177.00627	0.6
185.04242	3.0
185.07869	12.1
187.04422	1.1
189.04147	0.7
191.05679	0.7
203.05328	4.8
219.01750	3.1
237.02870	2.6
270.06686	0.9
285.13126	5.1
291.07571	0.9
301.12598	19.5
309.08569	1.3
325.95612	0.7
329.11734	0.9
347.13138	100.0
347.16895	12.6
348.14008	1.9
348.18146	0.9
349.64755	0.6
351.09348	0.9
355.06979	0.8
369.04712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01871	7.8
55.05518	19.7
57.03444	4.2
67.05508	64.3
69.07075	27.8
69.56318	24.4
71.04983	5.6
73.44158	3.7
78.83518	3.8
79.05494	39.2
81.06652	5.6
81.07064	72.4
83.04990	6.7
83.08614	20.0
85.06538	4.7
91.05479	27.8
93.07052	42.3
95.04955	6.1
95.08608	38.6
97.06535	10.2
97.10170	20.6
98.97596	20.5
105.07028	24.5
107.08592	47.5
109.06506	9.3
109.10167	41.7
111.08064	6.0
112.99121	5.4
117.06988	9.0
119.08575	15.9
121.06482	5.6
121.10178	20.8
123.11666	6.8
125.09634	17.4
129.06947	4.9
131.00096	4.3
131.08557	15.5
133.10153	26.9
135.11693	11.5
141.73856	4.0
145.10104	12.7
147.11722	6.9
149.09633	14.2
149.13306	21.4
151.11221	4.6
155.10686	23.9
157.10019	4.3
158.99605	7.9
159.11710	12.4
161.13284	6.0
163.11177	7.9
173.01190	11.1
173.11778	51.8
176.07085	9.0
177.12743	7.3
189.11217	15.4
195.13794	56.4
213.14844	31.6
239.17967	5.2
244.99695	6.8
253.91995	3.6
257.19070	10.6
275.20059	100.0
275.22934	4.2
293.21005	11.6
330.63190	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	346.2015
Annotation	Holidinine
Peak:m/z	Relative Intensity
55.01831	0.4
55.05463	0.3
58.06562	0.3
63.07178	0.3
67.05471	0.5
67.09531	0.3
69.07018	0.8
70.86767	0.7
74.48336	0.3
79.05441	1.3
81.07040	0.4
91.05424	1.1
93.07001	0.5
95.04930	0.3
97.06537	8.2
98.97580	2.8
103.14785	0.3
105.06967	0.5
112.99082	0.6
116.98549	0.5
119.04890	1.0
121.10040	0.3
128.06148	0.3
129.06950	0.5
131.04855	0.3
131.08522	0.5
134.06003	1.4
137.05927	0.8
143.08484	0.5
144.47032	0.3
145.06374	0.5
146.05974	0.6
147.06790	7.8
147.07875	0.3
148.07545	0.6
149.05896	0.8
151.07574	3.2
152.14328	0.6
158.99654	0.8
159.07999	0.7
160.11180	0.9
161.05956	0.5
162.05473	0.8
164.07065	1.7
171.08009	0.6
172.11176	0.6
173.01210	1.1
173.05962	0.4
173.09610	0.7
174.09143	0.4
175.07518	0.4
176.05533	0.4
176.07072	6.3
176.10718	5.6
177.00673	0.5
177.07860	7.2
185.09575	0.7
186.09186	0.3
187.07535	0.7
188.10674	0.6
189.09087	0.6
199.07542	0.9
201.09152	0.4
202.12257	2.5
202.98573	0.3
204.10196	4.2
205.11034	2.2
206.11696	1.6
215.10962	0.4
216.10260	0.3
219.01657	0.5
229.10931	1.5
230.15396	1.3
241.12248	0.3
244.99651	0.9
258.11179	0.6
258.14908	3.3
260.12930	1.3
273.13626	14.1
275.16635	0.3
302.17526	100.0
303.17838	1.3
346.20129	45.7
346.23798	3.2
347.20566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1651
Annotation	Prostephabyssine
Peak:m/z	Relative Intensity
58.06591	2.5
65.71357	0.5
69.56573	3.5
69.56897	0.8
81.71323	0.5
91.05482	2.1
96.52438	0.4
98.65983	0.5
107.04951	0.9
115.05433	0.8
116.21542	0.5
133.05193	1.0
135.04420	0.5
137.05957	1.4
143.05011	0.6
146.96284	0.5
151.07541	6.7
161.04741	2.5
165.09193	0.6
167.07043	1.2
176.07089	46.0
177.07529	0.5
178.08612	2.5
184.08873	1.0
188.08258	0.8
190.08620	0.8
194.08127	0.8
195.08115	1.3
197.05992	0.9
197.12030	12.1
200.08408	1.1
207.07890	0.5
208.09761	4.2
210.10373	0.9
211.07526	1.1
212.08502	1.4
212.10724	5.9
214.08736	1.2
214.12292	1.2
215.10857	5.5
223.07527	1.5
227.10681	1.6
228.10214	16.4
229.08777	1.2
229.10963	7.9
237.09093	1.7
238.10056	1.3
239.07162	1.6
240.07759	1.4
240.10266	2.0
241.08649	1.7
241.12231	1.1
242.11781	8.8
243.12656	3.4
253.08624	0.7
254.09364	1.4
254.11737	0.8
255.10246	2.2
256.13278	2.3
257.08124	1.4
258.15039	2.9
265.08572	1.0
269.11612	1.0
270.14871	1.0
271.09528	1.2
271.12067	8.4
272.10406	4.5
280.10562	0.9
282.11227	1.9
283.09497	0.6
286.14462	8.4
296.13049	0.9
297.13721	1.1
298.14404	0.9
300.16052	0.8
302.17529	1.5
311.12823	1.3
312.15982	2.2
314.14032	3.0
328.15454	8.2
329.16357	2.9
346.13135	4.1
346.16495	100.0
347.16885	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	346.1652
Annotation	Prostephabyssine
Peak:m/z	Relative Intensity
56.05032	0.6
57.31351	0.3
58.06604	57.2
60.70810	0.3
61.02929	0.4
69.03452	0.7
70.06604	0.4
70.20414	1.5
70.43153	0.3
71.07422	0.3
72.08177	0.6
85.02905	1.0
91.05490	1.1
91.96156	0.4
97.02905	0.4
98.20763	0.5
98.97593	0.4
103.05524	0.4
112.41766	0.3
115.05461	0.4
119.04967	1.2
123.04435	17.0
127.03932	0.7
131.04944	4.7
133.06548	0.6
135.04486	0.4
136.07547	0.3
137.02478	0.4
137.05986	4.2
143.04935	1.0
147.04430	1.4
153.05466	2.8
159.04427	7.0
161.02913	0.4
161.06000	1.3
162.09169	0.4
163.07581	0.5
165.07828	0.4
166.08714	0.8
167.07039	1.1
173.06018	0.5
176.04697	0.5
177.02515	0.4
177.05609	0.5
179.07120	0.8
179.09442	0.8
181.08684	0.5
184.09662	0.4
190.08681	0.5
191.07047	4.6
192.10197	0.9
193.08617	1.0
194.08163	0.6
195.08125	0.6
208.09711	3.9
209.10461	1.2
210.11226	1.1
214.08266	0.4
222.11192	0.9
223.07626	0.6
225.09151	0.5
241.08577	0.5
244.74969	0.3
251.06923	0.4
269.08182	2.1
301.10748	3.3
303.12204	1.0
314.13885	0.5
331.13998	0.6
346.16504	100.0
347.16943	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1649
Annotation	Prostephabyssine
Peak:m/z	Relative Intensity
51.94569	0.4
56.05028	0.5
58.06604	54.8
61.77694	0.4
69.93864	1.9
70.38726	0.4
71.07396	0.5
75.32277	0.4
91.05483	1.4
117.87688	0.3
119.04945	1.1
123.04437	15.2
123.05336	0.9
131.04947	4.8
137.05975	4.0
143.04962	0.6
147.04420	1.4
148.86191	0.4
149.05945	0.5
153.05518	2.4
159.04422	6.5
159.05643	0.6
161.06015	1.0
162.09155	0.6
163.07616	0.5
167.07051	0.8
173.05989	0.6
177.05388	0.6
179.07028	0.5
179.09389	0.5
190.08609	0.7
190.90256	0.5
191.07068	3.4
191.09413	0.4
192.10280	0.4
193.08698	0.5
194.08191	1.2
207.08987	0.4
208.09737	3.2
209.10486	0.9
210.11209	1.6
222.11208	1.3
223.07640	1.0
241.08650	0.6
251.06996	0.5
269.08078	2.0
269.34525	0.4
301.10693	3.0
303.12314	1.1
314.13892	0.6
331.14072	0.4
346.16498	100.0
347.16818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.8
56.96569	7.0
62.61308	0.8
67.05523	1.4
70.60907	1.1
70.61243	1.8
77.64102	0.9
80.75101	0.7
81.07043	2.8
84.96022	3.6
91.05476	1.3
93.07024	0.8
95.08595	2.4
98.97590	100.0
110.97561	3.2
112.99141	23.6
116.98628	25.0
124.95473	3.9
131.00179	19.6
131.79564	0.7
131.87515	0.8
134.99644	3.7
137.06100	0.8
138.99699	0.8
140.00206	2.3
140.98601	2.5
142.96506	4.8
144.98077	3.9
147.11682	0.8
149.01227	6.6
151.07532	2.3
154.01834	1.4
158.99666	36.4
160.97562	2.1
161.04785	1.8
161.86922	0.8
162.99179	1.4
164.07069	5.9
173.01241	40.5
176.07080	12.2
177.00708	19.1
177.02190	1.5
182.99612	1.9
184.97583	8.1
189.00722	1.2
191.02272	24.9
200.02304	2.8
201.00719	11.6
202.69270	0.8
202.98663	11.1
208.52806	0.7
214.03885	3.6
219.01768	13.0
220.99696	2.4
226.00235	2.2
226.98622	2.4
231.01799	0.9
242.03427	1.5
244.99709	39.1
258.90216	0.8
263.00745	9.7
268.01312	1.7
286.02377	2.0
300.19485	2.1
302.17511	1.1
305.01923	1.1
328.15442	1.5
328.19052	12.3
345.19022	1.6
346.19543	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	346.0448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28077	0.5
56.96568	7.9
57.97359	0.5
58.06598	1.3
60.21351	0.6
67.05504	0.7
69.07059	0.9
70.06625	0.6
70.83843	1.5
79.05483	1.4
80.01771	0.6
81.03450	0.6
81.07045	1.0
84.68379	0.6
84.96053	3.3
85.02921	0.6
91.05470	0.8
93.07051	0.6
95.08614	1.1
97.06563	0.7
98.97589	100.0
105.07068	1.5
107.08605	1.3
110.97620	2.7
112.99137	22.9
116.98627	26.8
124.95480	4.5
126.97051	1.5
128.98634	2.4
131.00179	19.9
131.04875	0.6
134.99687	3.9
137.06010	0.8
140.00198	3.5
140.98605	3.8
142.96544	5.0
144.98103	3.7
146.99710	0.9
149.01236	4.1
150.05457	0.8
151.07564	2.2
154.01788	0.9
154.30707	0.7
158.99666	34.5
160.97589	2.6
162.99153	2.2
164.07079	1.6
173.01237	41.4
174.01715	0.6
176.07079	9.3
177.00728	19.1
182.99684	1.4
184.97556	6.9
184.98822	0.6
189.00693	1.4
191.02287	25.6
195.01791	0.8
200.02368	1.9
201.00734	12.1
202.98662	11.6
209.03230	0.9
214.03975	3.2
216.17722	0.7
219.01779	13.6
220.99716	1.7
226.00328	1.3
226.98596	2.9
231.01988	0.7
233.03438	0.7
237.02834	1.1
238.40714	0.6
242.03375	1.1
244.99713	42.2
258.89828	0.6
263.00757	9.7
268.01251	1.6
274.14368	1.4
281.01801	1.1
286.02332	1.1
302.17419	1.3
305.01852	2.4
315.03238	0.6
323.02942	1.7
328.15488	1.4
328.19168	1.3
345.18903	1.0
346.19977	7.1
346.23935	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	345.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.4
56.96556	5.9
57.03439	2.9
58.06607	21.7
59.06939	1.9
61.02915	4.0
69.03424	4.7
70.01823	7.2
70.06589	5.6
70.98125	1.8
70.99844	2.0
73.02912	2.8
80.28313	1.5
80.35938	1.6
84.08157	8.6
85.02930	9.8
86.09715	2.2
89.65764	1.5
97.02883	4.5
98.09684	3.8
98.97572	4.4
101.00876	3.3
110.07214	2.1
111.75073	1.7
113.00931	1.8
119.01927	1.9
119.04963	1.9
119.07330	1.8
122.07143	3.0
123.04403	3.6
126.05512	2.8
127.03925	2.1
136.07558	3.3
137.05974	2.1
137.07901	1.5
145.04996	1.8
146.99643	1.7
148.03995	9.5
151.07588	1.7
152.06161	2.1
153.06987	4.3
154.07797	1.6
155.04724	2.0
158.99756	1.8
165.07062	11.1
166.05011	18.4
166.07669	2.6
167.07291	1.4
167.08577	39.0
171.01369	1.8
171.08044	4.4
175.00826	2.4
177.07028	18.1
178.07744	15.3
179.08600	5.6
180.10326	3.3
181.06496	3.5
181.10139	2.9
183.08035	4.9
184.06062	17.6
185.01306	1.5
185.03027	1.7
185.09557	2.3
189.07051	1.7
190.07762	2.7
191.08606	35.2
193.10205	9.2
194.07309	5.1
194.09688	3.7
195.08060	29.9
197.09610	3.4
199.07635	4.0
202.07748	7.0
203.08565	10.0
205.01912	2.0
205.06372	2.2
207.08113	7.1
208.08908	8.9
208.11314	1.9
209.09711	8.6
212.10724	12.2
218.07285	2.2
218.09587	2.5
219.08099	46.0
221.09615	20.2
222.09105	3.0
223.07581	22.6
224.10732	2.0
225.09149	9.3
227.06966	13.2
229.07677	4.8
230.56168	1.7
235.03000	2.3
236.10716	61.3
237.09122	6.0
237.11383	1.6
238.12289	38.2
240.10251	46.6
241.08611	6.8
242.03653	2.0
247.07648	8.7
249.08926	2.5
251.07141	7.4
253.13390	34.1
254.11771	24.1
264.10208	6.7
265.08630	31.9
267.10034	3.0
269.08142	14.1
282.11288	93.5
283.11771	1.8
284.12784	2.5
286.10776	8.1
293.08157	2.4
299.13937	69.8
300.12296	20.3
311.09225	12.0
328.11838	100.0
341.23312	1.7
345.14545	59.2
345.21973	2.2
346.12604	3.8
346.16425	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43858	0.9
53.03934	3.6
55.01865	2.9
55.05514	6.3
57.03445	7.4
58.06604	9.8
67.05172	1.7
67.05508	22.8
69.03442	1.4
69.07072	32.3
69.80389	5.1
71.04655	1.2
71.05003	15.9
73.02921	1.2
79.05059	1.7
79.05494	21.4
81.03424	15.4
81.07063	27.1
83.04972	3.9
83.08601	3.8
85.06548	3.0
91.05483	17.8
93.07050	19.9
95.04968	20.3
95.08604	12.7
97.06538	38.4
97.10225	2.1
98.97617	1.2
99.08096	5.2
105.03403	1.0
105.07036	11.3
107.04944	4.5
107.08594	11.7
109.06526	9.7
109.10149	4.0
111.08080	2.2
113.06023	3.1
115.05425	1.5
115.07578	17.6
117.07030	6.9
119.08596	10.0
121.06528	5.2
121.10150	8.7
123.04405	1.3
123.08070	3.8
123.11691	1.2
129.07014	2.8
131.08582	8.1
133.10152	7.1
135.08078	4.4
135.11707	5.7
137.05960	1.6
141.06992	1.6
143.08549	2.3
145.10097	6.6
147.08049	2.8
147.11681	3.3
149.09645	2.0
149.13257	4.7
151.07565	4.9
157.10080	3.5
159.11679	6.7
161.09628	3.4
163.11139	1.8
169.10052	1.9
171.11679	3.5
173.13184	2.6
175.11076	1.2
176.07089	1.3
177.12784	3.6
185.13193	1.0
187.11177	1.9
189.09232	1.1
189.12727	1.3
192.10178	3.4
195.08107	1.1
195.11998	1.1
195.13771	4.7
201.12720	2.1
209.05956	1.1
209.09549	1.6
211.07597	1.2
212.16418	1.2
217.15942	1.9
219.13684	1.9
221.09892	1.1
221.15347	1.3
223.07590	1.1
223.13261	5.0
224.08293	1.3
225.09074	1.6
227.17938	1.5
233.15402	1.9
235.07480	2.5
237.09109	1.6
238.09879	1.8
239.10657	1.3
241.08479	1.8
245.19112	1.4
250.09962	3.0
251.07008	1.5
251.10510	1.3
255.10350	1.4
263.20184	1.2
267.06589	1.0
267.10165	2.9
269.08167	1.7
269.11697	2.0
270.12650	1.0
273.18512	5.8
281.11780	5.5
282.12405	5.3
283.09677	1.4
284.10492	2.8
286.12033	1.6
291.19513	6.5
298.11966	3.4
299.09225	2.4
300.16110	1.6
313.14438	1.3
329.16129	1.5
344.15277	4.5
344.18573	100.0
345.18924	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01862	1.0
55.05508	4.2
55.90273	0.4
56.05017	0.4
56.96556	0.9
57.03428	1.4
58.06599	7.3
59.04977	0.4
63.57104	0.4
67.05499	4.5
69.03415	1.2
69.07073	3.4
70.06599	0.6
71.04985	1.1
71.55655	0.5
72.08166	0.4
79.05491	5.4
81.03436	2.0
81.07058	4.8
82.06583	0.4
83.04951	0.8
83.08617	2.1
84.08133	0.4
85.02896	0.6
85.06538	0.6
88.07629	0.4
91.05479	3.6
93.07038	5.5
95.04955	1.6
95.08602	2.9
97.06526	3.9
97.10170	2.7
98.97590	1.0
105.07037	2.6
107.04930	1.5
107.08602	2.8
108.93905	0.4
109.02809	0.5
109.06505	1.7
109.10133	1.2
111.08044	0.7
112.07542	0.6
113.05999	1.3
115.07611	0.5
117.07004	1.4
119.04934	0.5
119.08554	1.3
121.06490	1.0
121.10133	1.3
123.04480	0.4
123.08061	1.7
125.09608	2.5
127.03848	0.5
131.08568	1.2
133.10127	0.9
135.08012	1.3
135.11690	0.9
137.02306	0.5
137.05963	2.1
143.08586	0.6
144.05853	0.4
145.06421	0.5
145.10100	0.7
147.11714	0.4
149.09578	0.4
149.13255	0.6
151.07515	4.5
153.09100	0.6
158.07245	0.5
159.11734	0.7
161.09680	0.4
161.13344	0.4
163.11168	0.6
165.09123	0.5
166.63513	0.3
174.06783	0.6
175.07582	0.6
176.10721	0.5
177.12794	0.9
179.08664	0.4
181.06575	0.5
189.09160	1.1
189.11212	2.5
192.06500	0.8
192.10187	5.1
195.08133	1.0
195.13799	0.8
206.11745	0.8
206.52600	0.3
207.08034	0.7
209.09654	0.6
210.06839	0.5
211.07581	1.0
212.16475	0.6
217.15851	0.6
219.08063	1.0
221.09590	0.6
222.10384	1.2
223.07565	1.0
223.11273	0.5
223.13329	1.3
225.09225	0.9
227.10825	0.5
235.07518	2.0
237.09122	1.5
238.09874	1.6
239.07062	0.8
239.10690	1.7
241.08612	1.6
241.12288	0.4
242.11769	0.6
244.13242	0.6
249.08961	0.9
250.10004	2.9
251.07034	1.2
253.08624	0.8
253.12271	1.0
254.09415	1.2
254.11957	0.5
255.10172	1.4
256.07419	0.4
259.11932	0.5
266.09451	0.6
267.10086	3.3
269.08060	1.6
269.11697	2.4
270.12518	0.7
271.09766	1.1
273.18417	1.0
281.11725	5.2
282.12497	4.7
283.09714	1.4
283.12970	0.5
284.07184	0.7
284.10431	2.8
284.13742	0.9
285.11313	0.6
286.11926	0.9
291.19614	2.0
298.11972	1.7
299.09119	1.6
308.22253	0.8
309.20624	0.5
312.15884	0.6
313.14340	1.4
326.23376	0.9
328.15466	0.7
329.16293	1.3
343.67902	0.6
344.15424	4.2
344.18561	100.0
345.18704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.3
56.64301	0.9
57.03457	4.4
57.07068	0.9
58.06399	0.8
58.06612	7.8
64.37673	0.9
67.05509	13.7
69.03423	1.8
69.07072	18.6
69.79795	4.7
71.04996	8.3
73.02917	1.2
74.46767	0.9
79.05502	14.4
81.03443	6.3
81.07065	13.4
83.04975	4.1
83.08621	1.9
85.02922	1.2
85.06523	1.7
91.05483	10.2
93.07050	11.7
94.14675	0.8
95.04977	6.1
95.08604	7.0
97.06539	36.4
97.10160	0.9
99.08121	1.5
105.07044	6.1
107.04991	5.0
107.08605	7.8
109.06534	3.1
109.10166	5.3
111.08068	1.6
115.05489	1.3
115.07580	18.0
117.07028	4.1
119.08596	6.3
121.06519	2.0
121.10152	3.5
123.08092	1.5
123.11729	1.1
127.07536	0.9
129.07018	1.9
131.08569	5.0
133.10138	7.7
135.08089	3.6
135.11702	3.7
137.05994	2.9
141.06952	1.1
143.08566	2.5
145.10129	3.9
147.11688	2.0
149.09613	1.7
149.13268	2.0
151.07567	5.4
151.11214	1.3
157.10138	2.2
159.11736	3.9
163.11211	1.1
166.05002	1.2
171.11705	1.4
173.13286	1.3
174.06906	0.8
175.11253	1.1
176.49898	0.9
177.12772	2.9
183.11766	1.0
185.13177	1.3
187.11234	1.1
189.09265	1.1
189.12752	1.0
192.10188	4.4
195.13748	2.2
206.11781	1.6
207.08049	1.5
209.09647	1.7
221.09627	1.0
222.10368	1.9
223.07613	1.3
223.13263	1.3
225.63057	1.0
235.07533	2.0
237.09137	2.6
238.09868	1.5
241.08516	1.3
245.18948	1.2
249.09160	1.3
250.09886	2.8
253.12320	1.0
254.09410	1.3
255.10152	1.9
267.06207	0.9
267.10162	3.0
269.08121	2.3
269.11667	2.1
273.18457	3.6
281.11780	7.0
282.12515	5.6
283.09601	2.2
284.10486	3.1
285.11014	1.2
286.12027	1.6
291.19327	4.3
298.12018	1.8
299.09213	2.1
329.16089	1.9
344.15598	3.8
344.18591	100.0
345.18832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1858
Annotation	Norlaudanosine
Peak:m/z	Relative Intensity
59.16890	0.3
61.18902	0.3
62.42483	0.3
65.58607	0.3
68.74420	0.4
69.53165	2.2
72.50517	0.3
98.63621	0.4
151.07532	2.9
154.68298	0.5
158.07265	0.7
163.94907	0.4
165.07082	0.4
165.09152	0.4
174.06706	0.4
189.09091	1.6
192.10225	7.4
192.47685	0.3
197.09531	0.4
209.09668	2.0
210.10428	0.7
211.07603	0.8
212.08267	0.5
221.09622	1.5
222.10432	1.3
223.11221	0.7
224.08302	1.3
225.09134	2.4
226.09892	4.7
227.10620	0.6
235.07550	0.4
237.09138	2.6
238.09872	2.4
239.10823	1.7
240.07861	1.1
241.08646	0.7
241.12334	2.7
249.09145	0.8
250.09962	0.9
251.10582	0.4
252.11491	2.5
253.08624	1.3
253.12265	4.0
254.09309	0.8
255.06374	0.4
255.10217	1.9
257.11826	0.8
264.11636	0.6
265.12354	2.1
266.09299	0.7
267.10165	0.8
268.11032	2.6
269.11734	9.8
270.12476	0.8
271.09479	0.6
280.10986	0.5
281.11725	7.1
281.14493	0.7
282.12485	1.2
283.09723	1.3
283.13266	1.6
284.14072	21.6
285.11246	3.0
285.14157	0.6
296.14108	10.8
297.11130	2.5
298.11990	3.1
299.12735	0.5
300.13583	5.8
312.13284	3.2
312.16489	0.5
314.13953	0.9
315.15921	2.2
327.15900	2.6
344.18576	100.0
345.18896	1.0
349.66766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1855
Annotation	3-epi-wilsonine
Peak:m/z	Relative Intensity
54.98370	0.2
56.05033	0.2
57.90973	0.2
58.06603	4.9
58.90867	0.2
62.79018	0.2
68.37994	0.2
69.88205	0.9
69.88557	0.3
72.08151	0.2
75.04471	0.2
84.88958	0.2
90.78408	0.2
119.79468	0.2
137.05957	0.6
146.62024	0.2
151.07542	0.8
165.06992	0.4
167.08536	0.2
175.07541	0.4
178.07709	0.3
179.08502	0.4
181.06482	0.6
182.07240	0.2
183.08148	0.2
185.05748	0.2
189.06976	0.2
191.08536	0.5
192.13263	0.2
194.07286	0.3
195.08078	1.0
196.08777	0.3
197.06003	0.3
198.06824	0.3
199.07365	0.2
199.09839	0.3
205.06493	0.2
206.07265	0.5
206.11804	0.5
207.08052	1.2
209.05934	0.7
209.09599	1.1
210.06798	0.2
210.10440	0.4
211.07506	0.9
212.08382	0.5
213.09151	0.3
213.11461	0.3
218.07213	0.2
219.08072	0.6
221.09625	1.0
222.10411	1.4
223.07535	1.5
223.11102	0.2
224.08362	0.2
225.05490	0.3
225.09135	0.8
226.06343	0.2
227.07127	0.3
227.10770	0.4
230.09737	0.2
230.11787	1.0
232.08923	0.3
234.06754	0.4
235.07553	2.3
237.05551	0.3
237.09091	2.2
238.09869	2.1
239.07050	0.6
239.10669	1.5
240.07808	0.6
241.08609	1.7
243.10217	0.2
244.13330	0.5
249.09155	1.4
250.09898	4.0
251.06981	1.1
251.10690	0.8
252.07780	0.6
252.13991	0.2
253.08629	0.6
253.12198	1.5
254.09383	1.2
255.10187	2.4
256.07465	0.3
256.10901	0.6
265.08536	0.5
266.09418	1.1
267.10178	3.8
268.10947	0.3
269.08112	1.9
269.11719	2.7
270.09103	0.3
270.12521	0.9
271.09778	1.1
272.10452	0.5
281.11719	5.9
282.12524	6.6
283.09631	1.5
283.13068	0.5
284.10489	3.4
284.13721	0.4
285.11191	0.6
286.12006	1.4
297.11136	0.2
298.11899	2.2
300.12347	0.3
300.15955	0.3
312.15982	0.4
313.14212	1.1
314.13904	0.4
328.15387	1.3
329.16165	1.7
344.18564	100.0
345.18985	0.4
361.00342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1859
Annotation	Norlaudanosine
Peak:m/z	Relative Intensity
50.96005	0.4
52.30406	0.4
58.06570	0.6
64.07831	0.4
69.24155	0.4
69.24355	0.6
69.24768	2.9
75.79226	0.4
84.38464	0.4
89.03824	0.5
91.05487	1.2
93.07121	0.5
105.07034	0.5
107.04947	3.1
108.05735	0.9
115.05469	0.5
118.93253	0.4
119.90305	0.4
121.06488	1.2
128.06227	1.2
129.07031	0.8
131.04893	0.7
135.04434	0.7
136.05196	2.2
143.04886	0.9
144.05714	1.3
145.06482	1.7
146.07294	0.6
148.07616	2.5
150.06740	1.5
151.07555	38.4
155.06029	0.4
157.07599	0.4
158.07285	9.9
159.04414	2.4
159.08022	2.1
160.07542	0.7
165.09116	3.4
174.06793	9.9
175.07596	0.5
176.07072	4.2
177.07852	5.4
189.07378	0.7
189.09119	22.8
192.10205	100.0
193.10681	0.4
222.10034	0.4
238.09993	0.5
249.08957	0.8
250.10191	0.5
265.12057	0.5
268.87683	0.4
281.11700	2.8
295.13120	0.6
296.14038	3.7
297.11307	1.2
312.13727	1.5
327.15924	16.1
344.18588	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	344.1855
Annotation	Norlaudanosine
Peak:m/z	Relative Intensity
58.06604	60.1
70.17588	1.2
85.51104	0.4
91.05499	1.4
95.04987	0.5
98.20798	0.5
115.05445	2.8
117.07072	0.8
119.04959	1.0
122.03667	0.7
137.05984	21.4
143.04932	11.5
145.06500	0.8
149.06012	0.9
151.07558	5.3
160.05223	1.5
160.07573	0.6
163.07524	0.5
174.09190	0.7
174.61826	0.5
175.07562	10.1
177.09076	0.8
178.08699	0.6
179.08592	1.3
190.38440	0.3
192.10234	2.4
193.11040	1.3
197.28270	0.4
207.08040	1.5
209.09767	0.7
221.09645	0.5
222.10402	0.5
235.07562	1.4
237.09032	1.0
239.10638	1.2
241.08522	0.5
241.12279	1.3
250.09880	0.7
254.09427	0.6
255.10121	0.6
267.10135	2.4
269.08215	0.8
269.11783	1.7
281.11865	0.9
282.12515	0.6
298.08655	0.5
298.11816	0.5
299.09628	0.7
299.12796	5.8
301.14359	3.1
312.15775	0.5
333.56055	0.4
344.18582	100.0
345.18903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1856
Annotation	6beta-Naltrexol
Peak:m/z	Relative Intensity
53.48065	0.4
58.06606	4.4
65.14712	0.3
69.50894	0.4
69.51196	0.6
69.51495	0.6
69.81371	1.5
85.17213	0.3
97.97404	0.3
115.34077	0.4
117.44601	0.3
137.05986	1.3
151.07535	0.8
158.07324	0.4
175.07582	0.5
181.06525	0.4
183.08011	0.5
189.09004	0.3
191.08594	0.6
195.08046	1.1
196.08794	0.6
204.10207	0.3
206.07318	0.5
206.11795	1.7
207.08069	1.1
209.06021	0.9
209.09647	0.9
210.10416	0.5
211.07608	1.2
213.09087	0.6
219.08101	0.7
221.09595	1.1
222.10434	1.9
223.07544	1.2
224.08353	0.5
225.09125	0.7
226.06346	0.4
226.10124	0.4
230.11789	0.9
234.06801	0.5
235.07541	1.9
236.08293	0.4
237.09106	2.2
238.10097	2.0
239.06973	0.7
239.10695	1.5
240.07703	0.4
241.08575	1.7
244.13408	0.6
249.09161	1.2
250.09877	3.0
251.06976	1.5
251.10683	0.7
253.08533	0.6
253.12183	1.6
254.09471	1.1
254.11909	0.4
255.10165	2.5
256.11044	0.4
266.09421	1.3
267.10147	4.4
269.08209	2.0
269.11676	2.0
270.08789	0.5
271.09647	1.1
272.10486	0.4
281.11743	5.4
282.12546	4.8
283.09805	1.5
284.10385	2.6
286.11923	1.1
298.11899	2.2
312.16122	0.5
313.14325	1.2
314.13965	0.7
328.15524	1.1
329.16296	1.6
344.18591	100.0
345.18878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1857
Annotation	6beta-Naltrexol
Peak:m/z	Relative Intensity
58.06603	61.1
58.47092	0.4
60.47546	0.3
65.62640	0.3
67.98363	0.4
71.00660	0.7
89.06015	1.9
91.05476	1.4
99.99297	0.4
115.05460	3.4
117.07015	0.4
119.04955	1.0
125.06050	0.4
133.08641	1.4
137.05984	19.5
143.04932	7.2
145.06485	0.8
151.07559	4.2
160.05235	1.0
161.06062	0.4
162.17941	0.4
163.69621	0.3
164.10760	0.4
165.25020	0.4
174.09117	0.5
175.07549	7.3
177.09177	1.5
178.08678	0.9
179.08575	1.0
192.10269	1.6
193.11035	1.1
206.11839	0.8
207.07993	1.2
207.12576	0.6
209.09659	0.5
221.09531	0.4
224.08463	0.5
226.10141	0.4
235.07561	1.2
237.09189	0.6
239.10828	0.9
241.08646	0.5
241.12215	0.8
250.09818	0.4
267.10178	2.1
269.08041	0.5
269.11743	1.2
281.11664	0.6
282.12598	0.7
284.10535	0.6
299.12778	5.0
301.14462	1.8
327.20193	1.0
344.18582	100.0
345.18933	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
56.05033	0.9
57.03438	0.9
58.06604	100.0
61.02922	1.2
69.03442	2.7
70.06601	1.1
70.86015	1.6
73.02937	0.7
81.03439	1.4
83.32795	0.7
85.02909	13.3
91.03977	0.8
91.05496	4.8
97.02883	2.7
109.02872	1.5
115.05473	3.5
119.04957	14.8
123.04436	2.8
124.03996	2.1
127.03926	2.6
131.04898	0.9
137.05992	20.2
143.04929	8.8
145.04987	3.6
147.04420	87.8
151.07542	5.5
160.05261	1.1
165.05490	50.6
175.07558	9.5
177.09114	0.9
179.08585	1.1
180.08667	2.3
182.08107	1.2
190.08716	1.2
192.10222	2.0
202.11632	0.7
207.08243	0.9
208.09727	4.6
222.11241	2.7
235.07666	0.7
237.09265	0.7
239.10683	1.8
241.12112	0.6
250.09998	0.7
267.10147	2.8
269.11664	1.0
282.12546	0.8
284.06720	1.6
299.09274	1.7
299.12769	5.2
301.14316	1.6
329.12628	1.0
329.16281	0.8
344.14783	28.7
344.18512	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1859
Annotation	Norlaudanosine
Peak:m/z	Relative Intensity
56.05053	0.7
57.31226	0.3
58.06605	93.1
69.03441	0.9
69.88081	1.4
69.88487	0.6
70.06623	0.8
81.03430	0.4
82.13989	0.3
85.02921	3.0
86.09731	0.4
91.05503	2.4
95.04975	0.6
97.02920	0.6
115.05469	4.9
117.07047	0.4
119.04959	4.2
122.03681	1.2
123.04404	0.7
127.03983	0.5
137.05988	23.8
142.00327	0.3
143.04941	9.0
145.04985	0.4
145.06493	0.8
147.04420	17.9
151.07559	6.1
160.05211	1.2
160.07561	0.5
161.06053	0.3
163.07588	0.6
165.05489	10.3
165.06892	0.6
167.22705	0.4
175.07561	10.7
177.09154	1.2
178.08667	1.2
179.08598	0.7
181.10286	0.3
190.08611	0.5
192.10202	1.9
193.11073	0.4
194.11804	0.6
206.11800	0.8
207.08177	1.3
208.09674	1.7
209.09596	0.4
212.16402	0.3
222.11285	1.3
235.07619	1.1
237.09236	0.4
239.10687	1.3
241.12271	0.8
267.10089	2.4
269.08142	0.5
269.11612	0.7
272.33694	0.3
284.06946	0.4
299.09323	0.8
299.12778	5.3
301.11295	0.3
301.14252	1.6
329.16232	0.4
344.14935	8.9
344.18585	100.0
345.18948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64189	2.3
52.20395	2.8
52.59754	2.4
53.03949	2.6
55.05503	11.3
55.54550	2.2
57.07074	4.4
59.14777	2.2
64.82268	2.3
67.05519	12.9
69.07074	17.2
71.04997	5.3
71.48444	3.6
79.05492	9.7
80.51611	2.3
81.07058	35.1
83.08617	9.4
83.62385	2.4
85.06611	3.1
91.05486	7.6
93.07043	39.9
95.08608	50.0
95.09203	1.9
97.06519	5.6
97.10165	8.9
97.18813	2.8
103.70378	2.6
105.07072	15.2
107.08603	47.5
109.10156	28.6
111.08066	5.9
119.08583	16.1
121.10162	42.0
123.11723	18.3
125.09634	8.1
127.11180	9.5
131.08588	4.4
133.10133	14.0
135.11711	35.4
137.13327	5.7
139.11205	3.0
145.10159	11.2
147.11697	18.3
149.13271	100.0
151.14825	3.2
159.11702	4.3
161.13286	9.8
163.14886	4.5
175.14842	9.5
177.16411	22.7
187.14850	3.1
189.16359	6.8
191.17944	6.6
193.15919	4.3
195.17442	16.8
201.16313	3.6
203.17981	12.5
215.17972	3.2
217.19514	2.6
320.04575	2.5
325.28912	9.9
343.29977	38.0
344.18573	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	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03432	0.7
58.06602	63.6
61.02916	1.8
63.30442	0.6
65.03931	0.6
65.35551	0.5
69.03428	2.5
69.06009	0.5
70.06600	0.9
71.04974	0.5
71.06234	1.4
71.45475	0.5
73.02934	0.7
81.03410	1.9
85.02905	17.1
86.09707	0.6
91.03947	0.8
91.05489	4.4
95.04980	1.0
97.02897	3.4
106.02895	0.9
108.10375	0.6
109.02872	1.6
115.05455	2.3
117.06994	0.7
119.04943	17.1
122.03633	0.6
123.04464	2.1
124.03954	1.1
127.03932	3.3
137.05995	12.6
143.04919	5.2
145.04959	3.7
147.04410	100.0
151.07549	2.8
165.05481	58.4
173.06052	0.5
175.07578	5.7
177.09081	0.6
180.08707	2.0
182.08136	1.4
190.08569	0.6
192.06601	0.6
192.10179	1.2
194.62724	0.6
207.08868	0.6
208.09709	2.2
222.11218	1.9
239.10704	0.8
241.12108	0.8
258.18823	0.6
267.10202	2.2
269.11667	1.1
282.12277	0.6
284.06763	1.0
284.09750	0.6
299.09497	1.1
299.12778	3.5
301.11108	0.6
301.14462	1.2
309.09647	1.3
344.14792	14.7
344.18552	70.3
345.19119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03946	3.0
55.01869	3.9
55.05511	11.8
57.03439	7.9
57.03667	1.3
57.07061	6.0
59.04991	4.1
62.58685	1.3
67.05238	1.7
67.05509	16.5
69.03439	8.4
69.07058	4.5
69.79164	3.0
69.79557	3.7
71.04999	12.0
75.50606	1.2
79.05501	13.5
81.03416	3.8
81.07056	22.8
83.04977	3.3
83.08612	2.2
85.06516	3.6
91.05484	20.4
93.06474	2.8
93.07046	45.1
93.57796	1.7
95.04977	38.0
95.08614	52.0
97.06537	11.1
101.37268	1.6
103.05468	3.6
105.07033	55.1
107.04945	4.0
107.08601	38.5
109.06526	10.9
109.10151	2.9
115.05466	5.3
117.07027	21.5
119.08588	22.4
121.06506	13.3
121.10142	12.8
122.07221	1.5
123.08083	17.9
125.06015	1.7
128.06229	2.5
129.07004	4.9
130.07806	8.7
131.08630	7.2
133.06479	5.3
133.10141	11.0
135.08057	19.1
135.11710	10.6
137.05949	3.5
137.09622	3.5
142.07745	2.8
143.08566	6.5
144.09369	2.6
145.10129	60.2
147.08110	7.9
147.11684	4.5
149.09671	4.0
151.07538	37.3
151.08643	1.5
153.09091	2.5
155.08527	2.4
156.09422	2.5
157.10136	5.4
159.08081	1.6
159.11665	6.1
161.09653	5.9
161.13298	3.2
163.11192	49.6
165.09125	12.3
169.10136	3.2
171.11674	4.2
173.09624	4.5
173.13240	1.8
175.11249	4.1
177.09132	5.6
179.06932	2.3
181.12250	2.7
183.11723	2.4
187.11183	2.8
189.12750	7.5
191.14294	2.5
193.10306	1.9
195.11639	1.5
197.13339	1.8
199.14880	2.0
203.14322	5.7
207.11916	2.6
207.13846	7.1
207.78661	1.6
209.13339	2.7
209.15364	5.6
213.12865	1.5
215.14308	2.5
221.15359	24.2
233.15376	4.4
245.15614	2.9
247.57613	1.4
263.16388	5.2
267.10233	2.1
269.15378	3.4
274.19284	1.8
279.05344	2.0
285.18390	2.2
286.19366	3.6
287.16550	2.9
287.19833	2.1
325.21576	11.1
328.15060	1.6
343.18121	3.7
343.22684	100.0
344.14777	3.1
344.18582	25.6
344.22565	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03933	4.3
55.01859	6.3
55.05515	13.7
56.96552	1.7
57.03431	5.7
57.07064	5.7
58.06579	3.2
59.04985	4.9
60.04523	2.2
60.48470	1.2
65.03945	1.9
67.05505	23.8
69.03440	8.4
69.07069	10.9
70.04052	1.8
71.04997	17.9
79.05489	19.2
80.67865	1.3
81.03406	3.3
81.07057	32.6
83.04977	6.0
83.08617	5.2
85.02901	2.6
85.06543	4.0
91.05486	28.9
93.07051	60.7
95.04974	48.9
95.08610	67.0
97.06531	15.2
103.05485	2.6
105.07037	73.5
107.04942	4.8
107.08598	49.4
109.06525	15.6
109.10143	6.5
109.39851	1.3
113.09656	1.4
115.05460	6.7
117.07024	28.1
119.08586	26.2
121.06496	17.6
121.10143	18.7
123.08077	24.2
125.05981	2.8
128.06201	3.6
129.06993	6.2
130.07803	13.7
131.08566	9.8
133.06488	4.7
133.10124	15.8
135.08069	20.7
135.11722	13.3
137.05974	4.3
137.09613	5.9
141.06963	1.6
142.07779	4.0
143.08566	10.0
145.06490	2.1
145.10129	79.9
147.08057	14.3
147.11659	5.7
149.09610	5.0
151.07549	45.3
151.08798	1.7
153.09062	2.9
155.08583	3.1
155.10620	2.0
156.09384	3.1
157.10176	9.6
158.97672	4.0
159.08084	3.3
159.11700	10.1
159.97995	4.2
160.97287	4.9
161.09637	7.4
161.13269	4.5
163.11185	56.6
165.09132	15.2
167.08614	1.7
168.09340	2.0
169.10132	5.4
170.10829	2.2
171.11693	7.9
173.09618	4.1
173.13245	5.0
175.11198	5.2
177.09093	6.2
179.07016	5.0
179.08493	1.9
181.10107	1.9
181.12215	3.5
182.10847	2.6
183.11649	3.1
185.09634	2.2
185.13316	3.6
187.11188	5.5
187.14723	2.4
187.87817	1.6
188.11829	1.6
189.09189	3.4
189.12726	9.4
191.14359	4.1
195.11755	2.9
197.09546	1.7
197.13264	4.2
199.11159	2.6
201.12703	1.8
203.14282	9.0
205.10361	1.4
207.10098	2.4
207.11911	2.1
207.13806	4.4
209.13309	3.4
209.15323	3.7
211.14676	1.8
215.14352	2.3
217.12270	3.1
221.15356	29.2
223.14980	3.3
225.12740	2.8
225.16014	1.4
233.15385	4.0
243.13809	1.8
245.15355	1.8
247.17000	2.2
263.16339	6.8
267.10104	2.3
269.15347	4.7
286.19299	4.3
287.16370	2.8
297.06778	1.9
307.20572	2.0
317.17996	2.9
325.21509	12.9
343.08133	10.8
343.18188	4.0
343.22668	100.0
344.07480	4.3
344.18594	32.0
344.22723	2.2
364.97760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03941	3.9
55.01871	5.7
55.05272	1.1
55.05518	14.4
56.96553	1.9
57.03443	6.1
57.07069	4.9
59.04993	4.7
65.03934	3.2
67.05175	1.4
67.05506	20.2
69.03426	7.8
69.07063	5.4
71.05000	16.0
77.03936	1.2
79.04253	1.1
79.05498	20.0
81.03411	4.8
81.07063	23.5
83.04977	5.2
83.08608	3.6
83.54989	1.4
85.06551	3.3
91.05486	26.3
93.07050	59.0
95.04356	2.5
95.04972	42.1
95.08607	64.0
97.02881	2.2
97.06528	16.1
103.05499	2.8
105.04503	1.2
105.07033	64.3
107.04938	2.1
107.08600	43.0
108.05708	1.8
109.06533	13.1
109.10167	6.0
111.08064	2.4
113.09677	2.2
115.05457	5.4
116.06223	1.9
117.07023	23.9
119.08585	22.3
121.06509	13.8
121.10135	14.8
122.07314	1.6
123.08070	23.2
125.06018	1.7
125.09625	2.1
128.06227	3.7
129.07014	6.0
130.07803	14.0
131.08572	9.4
133.06485	4.1
133.10153	14.9
134.56133	1.3
134.75635	1.3
135.08058	19.2
135.11707	13.6
137.06004	3.4
137.09613	4.1
141.07002	2.2
142.07774	3.9
143.08553	10.8
144.09312	1.8
145.06516	2.5
145.10133	73.7
147.08060	11.2
147.10631	1.1
147.11714	5.3
148.08946	1.2
149.09622	5.5
151.07561	43.1
153.09113	3.3
153.75227	1.2
155.08612	2.6
155.10692	2.1
156.09395	2.3
157.10150	10.9
159.08032	3.0
159.11711	7.9
160.08865	1.3
161.09586	5.6
161.13225	3.3
163.07573	1.4
163.11192	50.7
165.09129	13.3
167.08591	1.4
169.10133	4.3
171.08076	1.6
171.11662	7.1
173.09660	4.8
173.13292	3.3
175.11221	5.2
177.09131	4.2
179.07047	3.7
179.08629	1.4
180.46399	1.1
181.10115	2.7
181.12270	3.3
182.10933	2.0
183.11685	3.5
185.09660	1.7
185.13335	1.4
187.11211	5.2
187.14865	1.8
189.12740	9.2
191.14328	3.9
195.11617	1.8
197.13292	3.1
199.14835	1.5
201.12714	2.4
203.14322	8.6
207.11858	2.5
207.13858	5.1
209.13347	1.6
209.15283	2.4
210.22180	1.2
213.12718	1.8
215.14374	3.2
217.12206	2.3
221.15349	27.0
223.14893	3.6
225.16451	3.2
227.14319	1.3
233.15411	4.5
241.15918	3.6
243.13799	1.9
247.16922	1.4
259.16864	1.4
263.16287	6.3
269.15375	2.8
274.19266	2.1
282.12341	1.8
286.19302	2.6
287.16693	2.2
287.19940	2.1
301.28769	1.4
307.20554	2.4
325.21503	11.3
343.22708	100.0
344.18683	14.5
344.22986	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1655
Annotation	Angustilocine
Peak:m/z	Relative Intensity
52.22668	0.7
56.05016	0.8
56.96556	2.9
58.06586	1.8
67.05492	0.9
69.99852	1.6
70.00245	1.4
70.06580	2.2
72.04515	1.7
74.06038	0.9
74.09164	0.7
79.05493	1.6
79.79136	0.8
80.05018	0.8
84.04494	1.1
84.08151	1.2
85.02892	3.1
87.92345	0.7
91.05488	1.7
92.66753	0.7
93.05780	8.1
93.07034	1.4
94.06533	1.8
96.04482	1.3
97.02890	0.9
103.05427	1.2
104.04957	1.0
106.06556	11.4
107.07331	3.2
108.08113	1.4
117.07039	2.2
118.06563	1.7
118.07327	1.6
120.08110	3.0
121.06484	1.0
122.06042	2.9
122.14375	0.8
124.07589	2.4
129.06993	0.8
130.06529	39.4
132.08080	1.7
136.07573	3.3
137.05980	1.7
137.08362	7.9
138.05452	1.3
138.09132	4.4
144.08098	1.7
145.06467	2.2
145.07524	0.8
146.06850	2.2
150.05530	2.8
150.09161	4.8
154.06508	1.8
156.08093	2.3
160.07518	0.9
162.09135	1.2
163.07526	2.0
164.07913	2.9
164.10701	2.3
167.07306	2.6
168.08064	4.1
170.09654	0.9
173.49350	0.7
179.08566	0.9
180.08150	4.9
180.10199	3.1
181.08856	3.0
181.10548	2.7
182.08195	1.6
182.09662	2.1
190.08607	1.6
191.07323	3.2
192.08105	2.1
193.08926	1.4
194.08308	1.2
194.09662	6.4
195.09055	1.7
196.11215	5.4
197.07050	1.1
197.10719	1.4
204.08141	4.5
205.08888	3.4
206.09726	17.6
207.09015	4.6
208.09630	4.9
208.11467	2.5
215.11810	3.8
219.09172	2.1
220.09828	1.9
221.10745	20.6
222.11508	6.6
223.12303	29.0
233.10742	1.8
234.11559	2.0
235.12390	3.6
236.12950	0.9
237.10229	1.1
237.13771	3.7
239.11754	7.0
241.13335	1.1
247.08754	0.9
247.12376	1.4
249.10254	2.0
249.13907	1.9
251.11824	3.4
252.12614	4.5
253.13373	2.0
254.14204	1.7
259.10782	19.0
265.13412	2.9
266.14114	2.0
267.11398	8.6
267.14941	49.3
268.15338	1.3
275.11926	0.9
283.10715	1.3
283.14209	1.0
285.12375	1.6
292.36398	0.8
293.12857	5.4
299.17529	2.8
311.13901	88.6
312.14658	7.4
319.03400	1.4
328.14398	1.1
343.16507	100.0
344.16666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01868	1.1
55.05511	0.7
56.96573	0.6
57.03444	6.2
58.06596	3.3
61.02919	2.7
69.03432	3.8
70.09753	2.5
71.04986	2.1
71.08624	2.7
79.05485	1.0
81.03400	1.6
81.07054	3.9
85.02912	13.1
85.06568	0.8
88.11238	0.5
91.05458	1.0
91.71801	0.6
94.70943	0.6
97.02899	5.0
98.97583	0.9
99.04459	0.6
99.08096	14.3
105.06995	0.6
109.02888	1.2
109.06517	2.5
117.09137	100.0
127.03927	2.2
127.07578	3.9
137.06000	2.4
141.40942	0.6
145.04968	2.5
145.06544	1.2
145.08551	0.6
152.07121	0.6
162.05551	1.9
163.07594	4.1
163.09666	18.6
180.06596	1.3
180.10152	4.4
182.02771	0.6
227.52077	0.6
310.10843	0.7
325.05658	1.1
342.16183	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	342.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
57.03415	2.3
58.06579	2.6
61.02930	3.4
69.03436	6.7
70.42707	0.8
70.43053	2.0
71.04982	1.0
73.02897	1.5
73.04760	0.7
81.03403	2.3
81.07054	0.7
85.02432	0.8
85.02911	14.0
87.04471	1.0
91.03973	0.9
91.05467	1.7
97.02897	5.6
99.04460	1.4
99.08093	2.3
100.01763	0.7
109.02878	2.3
115.05471	1.8
117.07024	19.4
117.09135	16.6
119.03407	0.8
127.03922	3.5
135.04422	0.9
135.08075	1.6
137.05978	6.0
141.65475	0.7
145.05170	1.1
145.06490	24.1
145.07634	1.2
163.07553	75.6
163.09753	2.3
164.07889	1.2
178.47826	0.7
180.10205	85.2
194.34135	0.7
206.09662	0.6
218.09764	0.8
220.11276	1.7
248.10796	0.8
265.45221	0.7
292.09772	2.8
310.10736	10.0
342.15527	100.0
343.15891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
53.34781	0.5
55.01872	1.1
57.03432	1.5
61.02917	2.0
66.90983	0.5
69.03074	0.8
69.03433	9.0
70.91201	1.3
70.91537	0.6
71.04944	1.2
73.02895	1.9
74.09702	0.7
81.03439	3.3
85.02438	1.0
85.02914	15.8
87.04463	1.6
91.03968	1.0
91.05463	2.4
97.02885	6.3
98.38004	0.7
98.97589	0.6
99.04470	0.9
103.05461	0.7
106.44778	0.6
109.02875	1.7
115.05447	3.8
117.07025	31.2
119.04922	0.7
123.04352	0.6
127.03909	3.6
133.06470	0.9
135.04388	1.3
135.08035	0.8
137.05974	9.6
145.06490	55.5
151.07549	6.2
163.07552	65.0
164.07913	1.1
179.03619	0.7
180.10201	88.2
224.87860	0.6
264.98404	0.6
299.27411	0.6
325.05722	0.7
342.15491	100.0
343.15866	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15067	2.1
53.03925	2.5
55.05505	12.8
57.03403	6.1
57.07076	36.3
67.05504	25.1
69.07070	28.9
71.08638	20.8
71.26197	2.7
73.52509	2.0
79.05499	13.8
80.43821	2.0
81.07061	77.8
83.08627	14.0
85.10194	10.8
91.05471	3.2
93.07039	21.8
95.08610	68.3
97.10186	11.0
97.11353	2.0
105.07058	18.6
107.08601	24.4
109.10167	43.2
111.11681	5.3
114.07458	2.0
119.08600	19.1
121.09444	2.5
121.10147	26.5
123.11695	21.5
131.08575	2.3
133.10126	10.2
135.11710	20.9
137.13286	15.1
144.15347	2.2
145.10059	7.3
147.11684	14.6
149.13242	23.5
151.14726	3.0
159.11627	3.9
161.13226	11.8
163.14861	10.8
165.16316	3.0
173.13182	5.2
175.14781	6.7
177.16345	9.1
189.16394	12.3
191.17899	8.7
201.16292	3.4
203.17972	13.5
215.17944	6.2
217.19475	18.4
229.19611	2.5
231.20981	6.4
245.22653	4.8
257.22684	2.9
259.24167	2.6
271.23978	2.9
280.70782	2.3
285.25330	3.2
322.57950	2.3
341.11716	2.8
341.26587	3.5
341.30988	100.0
341.39447	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	342.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37715	0.6
53.03947	1.0
57.03438	1.2
60.51329	0.7
61.02937	3.3
61.03173	0.6
69.03432	8.2
69.92258	2.4
71.04997	0.9
73.02914	1.7
81.03405	2.8
85.02910	17.0
87.04495	3.6
91.03974	0.9
91.05473	1.7
97.02905	6.0
99.04438	1.5
104.07101	1.7
105.07047	0.8
109.02863	2.4
115.05444	4.5
117.07022	32.9
124.06261	0.6
127.03925	4.4
133.06474	1.0
135.04350	1.1
135.08055	1.3
137.05992	10.5
145.06491	62.9
151.07553	8.6
155.06015	0.9
163.07550	73.9
164.07872	1.2
180.10201	95.7
299.94608	0.6
342.15488	100.0
343.15848	1.8
350.15149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27803	2.5
55.05513	18.6
57.03435	5.9
57.07071	16.7
62.06151	2.3
66.41797	2.3
67.05511	29.4
69.07066	24.0
69.42715	4.4
69.43130	15.5
71.04995	23.9
71.08617	9.6
79.05488	18.0
81.07057	100.0
82.48182	3.0
83.08614	10.6
85.06527	8.2
85.10174	6.8
86.21310	2.3
87.90013	2.6
91.05486	16.0
93.06476	4.1
93.07044	68.2
95.04940	4.1
95.08606	81.6
97.10158	10.4
101.25331	2.6
105.07037	48.1
107.08595	57.9
109.06515	16.6
109.09494	2.4
109.10172	40.5
111.08086	18.3
111.11736	5.0
113.09647	3.2
116.33044	2.6
117.07005	5.3
119.08581	93.0
121.10148	60.3
123.08044	2.7
123.11713	19.5
125.09633	2.7
129.06987	2.9
131.08562	15.3
133.10124	27.0
135.11697	31.5
137.05980	8.1
137.09587	11.9
137.13257	4.9
143.08534	7.3
144.09207	3.1
145.10114	24.1
147.11673	29.6
149.09633	3.6
149.12178	4.1
149.13266	49.5
151.11165	6.1
157.10123	15.6
159.11684	42.5
161.13252	26.8
163.14824	33.4
171.11694	10.4
173.13266	32.4
175.14827	15.3
177.12694	4.6
177.16452	6.1
179.14386	3.9
185.13263	8.5
187.07503	4.4
187.14853	17.6
189.16420	12.8
191.17912	34.4
197.13280	4.7
199.14796	9.4
201.16383	11.8
203.17976	6.5
205.15840	3.4
211.14841	4.1
213.16365	10.8
213.31139	2.5
215.17946	19.3
217.19569	3.3
225.16313	7.4
227.17952	13.6
229.19432	5.0
231.21019	3.8
239.17870	5.5
241.19548	4.7
243.21082	4.2
253.19594	5.6
255.21078	3.2
257.22699	14.4
267.21051	13.2
270.08920	2.8
271.09744	3.0
271.24197	4.9
281.22614	7.0
283.24194	58.1
291.10150	8.0
297.25638	5.0
323.27325	56.6
341.26257	86.2
342.26733	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48218	0.8
69.03438	2.1
70.65685	0.9
71.55593	1.1
71.55984	1.1
79.05479	2.5
81.03411	1.4
81.07060	2.2
85.02911	2.3
86.09686	1.1
91.05463	3.5
94.04173	3.7
95.04967	1.4
95.08609	1.2
95.49237	1.1
103.05469	2.4
105.07030	7.0
107.04955	1.8
107.08561	1.4
109.02894	2.3
109.06520	2.7
115.05446	3.3
117.07024	1.1
119.08570	3.6
121.06563	1.4
122.03622	6.5
127.03909	1.9
128.06229	2.5
129.07011	3.2
131.04900	3.1
132.05692	2.1
133.06470	4.3
136.07552	2.3
137.05981	100.0
137.07732	2.4
141.07031	1.1
145.06543	1.5
147.08047	3.5
149.05919	1.4
155.04984	1.2
156.22652	1.0
157.06450	1.0
159.07974	3.2
160.05179	2.3
161.06001	10.5
163.07524	1.3
163.74782	0.8
172.05142	1.2
175.07558	29.8
184.05234	1.0
187.06041	1.8
187.07532	10.5
188.06267	1.5
189.09045	1.5
190.07808	3.3
191.08568	8.8
192.10139	3.3
199.07559	8.7
202.07718	3.5
203.08542	6.1
205.06566	1.1
217.08537	1.4
218.07309	1.5
219.08025	13.0
220.08740	3.3
231.08044	6.6
235.07465	1.5
236.08278	2.7
247.07428	5.4
248.08359	3.5
249.09131	3.3
251.10698	14.1
259.07538	3.5
260.08371	1.1
261.09094	1.2
263.10501	3.3
264.07776	1.3
265.08560	1.8
270.08548	1.2
276.07703	1.6
277.08572	3.1
279.10165	12.8
280.10895	1.7
281.08066	1.5
291.10165	6.0
292.10855	3.4
309.11115	1.4
311.12799	17.5
314.60541	1.0
323.12741	4.2
341.14072	3.1
342.16962	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	341.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67957	0.4
54.13343	0.3
55.05505	0.5
58.89274	0.4
67.05489	0.7
67.80562	0.3
68.90904	0.3
69.07053	0.6
71.56745	0.7
79.05502	0.4
81.07019	0.6
95.08639	0.9
97.23855	0.4
116.55770	0.4
131.04997	0.7
137.05977	0.8
155.55386	0.4
259.07657	0.5
270.09082	0.5
291.10175	0.6
293.08182	0.4
341.26627	100.0
342.26953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22997	0.3
53.77951	0.4
54.55787	0.3
56.96576	0.4
69.81625	2.0
71.08637	16.5
77.13280	0.3
85.02919	1.1
88.11275	100.0
98.97591	1.1
110.07186	0.5
136.95396	0.3
137.06017	0.4
155.04767	0.4
156.71104	0.3
178.08736	0.5
270.74350	0.4
336.66077	0.4
340.05597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68719	0.6
56.96560	3.1
57.03436	0.8
57.07081	4.6
62.02728	0.6
69.03431	1.8
70.06591	5.1
71.01347	0.7
71.55595	0.8
72.96039	0.6
73.02920	0.8
81.03413	1.1
84.04520	1.9
84.08150	1.6
84.96030	1.2
85.02898	2.6
85.10184	16.2
86.09684	1.0
87.04424	0.8
89.06046	2.3
89.43306	0.7
91.05475	1.1
93.07055	0.7
97.02898	1.7
98.97589	3.6
102.12820	100.0
109.02883	1.5
110.07181	2.9
110.38717	0.7
110.97601	1.1
116.98676	1.1
121.06519	0.7
127.03914	1.7
128.37608	0.7
133.08626	2.4
136.06187	2.6
136.07585	2.3
137.05995	2.0
143.10689	0.8
147.04422	1.1
148.06195	2.5
158.99747	0.7
164.07066	0.9
167.06918	0.7
177.05376	0.7
178.08623	1.6
179.03447	0.8
182.21449	0.9
190.07047	0.7
194.99832	0.7
207.05464	0.8
208.08286	6.6
219.01801	1.3
220.01967	0.8
220.07683	0.6
233.11751	1.0
237.02875	1.4
239.14911	8.8
245.71976	0.7
250.11124	0.7
277.09625	2.0
292.07657	0.7
293.05978	0.9
308.12924	1.0
309.15707	0.8
322.08737	0.8
323.15118	1.5
325.09161	0.9
340.04562	1.6
340.11780	3.4
340.15344	1.2
340.18640	1.1
358.08896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.0
56.96555	1.6
57.07084	4.0
62.98263	5.1
67.05499	2.3
69.07054	1.0
69.24752	7.2
70.06600	1.2
71.08620	2.2
79.05496	1.3
79.32500	0.8
81.07048	3.2
88.07639	1.9
91.05473	2.4
93.07042	2.1
94.48257	0.9
95.08606	1.4
98.21513	1.6
98.97589	9.5
102.09160	0.9
103.30193	0.8
105.07034	1.5
107.08575	1.5
109.10160	2.2
116.98633	4.9
121.10158	0.9
131.55734	1.1
134.06265	0.8
135.11763	1.4
137.05887	0.8
145.10124	1.2
149.02365	7.2
159.11722	1.5
183.30031	0.9
193.04984	12.8
198.98764	0.8
224.65591	4.5
248.08958	0.8
256.26276	2.8
256.96600	1.7
274.97552	9.4
280.11996	1.0
292.98718	4.6
297.99130	2.4
299.18549	2.6
315.18008	1.2
317.19598	3.7
321.18109	7.4
335.20795	2.1
339.19083	100.0
339.27676	33.6
339.77875	7.4
340.19717	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	10.4
55.01862	3.8
55.05508	4.3
57.03433	4.6
57.07077	1.9
58.02959	6.4
61.02931	5.7
67.05500	2.4
67.32103	1.7
68.77033	1.5
69.03078	3.3
69.03435	52.8
69.07076	2.6
70.90591	4.3
70.90932	1.9
71.04985	6.8
73.02914	5.6
78.80390	1.7
81.03427	57.3
81.07046	2.7
83.08604	2.6
84.04492	3.5
84.77628	1.8
85.02911	71.7
91.05482	14.8
93.07049	2.1
97.02905	30.7
97.06541	1.7
98.97586	4.1
99.04450	13.9
100.11266	12.3
103.03951	3.7
105.07074	2.1
106.94541	1.9
109.02887	56.6
118.06526	4.3
119.07350	15.5
121.06557	1.8
127.03925	75.0
133.04950	2.2
136.07587	100.0
137.05963	8.5
145.02818	2.7
145.04945	13.8
146.03192	2.5
167.07016	1.9
167.98488	1.7
169.04956	4.0
177.05521	3.3
178.05757	5.9
187.06021	49.4
187.07634	3.9
202.04993	4.3
202.08626	7.0
205.07072	14.8
209.16513	2.1
210.14859	2.8
220.13582	1.6
239.06329	1.9
294.11282	6.7
296.09549	2.2
296.12830	2.9
308.09964	3.6
309.13705	5.2
310.07422	2.2
310.10788	3.8
312.13098	6.9
322.10162	2.4
324.12296	12.8
325.13162	2.9
331.86996	1.8
340.11581	12.8
340.15826	33.6
341.13849	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1229
Annotation	Crotalarin
Peak:m/z	Relative Intensity
50.01596	0.2
51.02392	0.3
53.00309	0.5
55.01868	0.3
65.03947	0.1
65.09723	0.1
65.10915	0.1
67.57277	0.1
69.89178	0.7
79.01862	23.5
91.05488	0.2
98.97594	0.2
107.04977	0.6
116.75576	0.1
119.04924	0.2
121.02867	0.4
129.07022	0.3
131.04950	0.2
133.02808	0.3
145.02885	0.5
145.06459	0.4
152.85995	0.1
153.06985	0.3
157.06502	2.2
165.01862	0.5
169.06505	0.2
171.07999	0.2
181.06464	0.9
183.02905	0.2
183.04359	0.2
185.05983	3.3
194.71753	0.2
197.05980	0.2
199.07533	1.1
209.05992	0.3
211.03934	0.7
213.05479	3.9
227.07069	0.3
237.05464	0.4
241.04985	4.4
255.06544	1.4
259.06042	8.8
265.04959	0.3
274.97461	0.2
283.06027	100.0
284.06430	1.9
295.06052	0.2
297.07559	0.3
339.12289	59.7
340.12598	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30157	2.7
55.01875	3.8
56.60099	2.3
56.96298	3.1
56.96568	48.0
57.03428	3.4
67.20475	3.0
69.03415	6.9
69.24367	3.1
70.06590	6.7
71.04969	3.3
71.54646	2.6
79.05474	2.8
81.03429	3.6
84.04485	6.9
84.08144	7.5
84.96049	17.0
85.02893	10.3
91.05463	4.1
93.07042	2.6
93.36088	2.5
97.02908	4.7
98.97585	77.4
104.14265	2.8
109.02900	6.0
110.06027	5.8
110.97581	29.9
112.99104	5.1
116.98616	26.1
117.03361	5.5
121.02847	3.1
122.06007	4.7
125.45674	3.0
128.98608	22.3
129.10239	2.8
131.00154	4.4
136.07574	13.2
136.90228	2.9
137.05983	4.8
138.98846	2.4
140.98602	4.1
141.67619	2.4
143.00175	13.7
144.98129	3.9
145.02844	8.6
146.99644	7.1
147.04434	5.9
149.05946	2.9
151.00688	5.7
152.07069	11.4
158.99658	9.2
161.01247	17.8
163.03900	9.2
164.07118	14.5
166.08653	3.6
169.01743	11.8
170.08170	4.9
170.99680	6.2
177.00826	5.5
177.05432	16.2
179.00137	5.7
179.02214	4.6
182.08139	5.0
187.02820	7.6
189.00769	3.1
193.01723	3.7
194.99664	17.6
197.01257	4.1
201.00673	4.1
213.00681	44.2
213.04260	3.2
219.01747	51.5
222.15662	2.6
231.01778	6.6
237.00691	4.3
237.02757	43.7
237.04730	3.8
255.01762	10.2
261.00595	3.0
263.02213	5.6
270.02103	3.1
279.01956	6.3
281.03311	4.0
303.13620	5.6
321.02805	11.1
321.14560	3.6
339.04041	100.0
339.07849	11.9
346.46524	2.7
357.04913	19.9
357.08679	9.2
362.05362	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	338.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.9
57.03431	2.7
62.29896	1.4
66.28601	1.5
69.03421	2.4
70.00829	6.4
81.03397	4.1
85.02898	3.5
97.02890	4.3
97.87301	1.4
98.97572	4.7
105.81744	1.6
109.02856	2.2
116.98618	1.6
119.01984	1.8
131.01865	1.5
138.96379	1.8
152.97951	12.7
156.97470	8.4
157.03459	1.8
161.02995	2.2
161.98412	1.5
164.01266	1.6
170.99045	100.0
174.98547	2.3
176.98027	3.0
177.00951	5.1
178.99557	2.3
180.79799	1.5
180.97452	5.7
182.98976	1.6
189.00105	45.7
190.99518	2.0
194.99020	26.0
197.00616	38.0
198.98529	13.9
201.01094	1.9
206.98950	2.2
209.00627	31.4
210.98552	10.0
212.93312	1.8
213.00102	87.8
215.01692	27.0
216.99646	3.8
219.02016	3.8
221.01871	2.1
222.98521	3.2
225.00101	3.8
227.01654	44.0
228.99663	2.3
231.01112	12.4
237.00114	22.5
240.99597	4.9
245.02693	2.4
252.99590	3.7
254.94252	3.1
255.01155	72.9
255.03824	3.8
272.95343	4.4
272.99033	7.2
273.02228	9.2
276.09729	1.7
279.01172	2.1
291.98535	3.3
296.95218	2.2
296.98883	1.4
297.02142	35.6
298.02649	2.0
306.02707	1.7
314.96295	3.7
315.00043	7.4
315.03235	47.5
327.85220	1.5
333.04337	32.5
338.04742	9.2
350.10687	1.6
356.05899	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	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03930	1.7
54.11587	0.5
55.01871	1.2
55.05516	24.3
57.03441	14.9
57.07085	4.7
58.12553	0.4
59.29418	0.4
65.03929	1.5
67.05508	52.1
68.42022	0.4
69.07070	28.4
69.51884	2.9
69.69498	0.5
71.04996	1.3
71.08626	2.4
79.05064	0.8
79.05494	12.5
81.07060	51.0
82.07354	0.6
82.45814	0.5
82.83291	0.5
83.04987	1.6
83.08623	16.4
84.65494	0.5
85.06531	1.4
85.10210	1.0
91.05485	8.5
93.07046	14.0
95.04972	1.1
95.08612	40.6
97.06538	3.1
97.10174	7.3
99.08090	1.2
105.07029	6.5
107.08602	7.9
109.06474	0.8
109.10162	16.1
111.08084	1.0
111.11713	1.9
113.09619	0.7
119.08601	4.9
121.10154	5.7
123.08098	1.2
123.11712	6.4
125.09654	1.2
133.10141	4.8
135.11720	4.0
137.09578	0.9
137.13249	2.8
139.11143	0.7
147.11719	2.6
149.13260	2.2
151.14778	1.1
161.13254	2.6
163.14835	2.6
165.12688	0.6
165.16420	0.6
175.14827	2.1
177.16313	0.7
189.16310	1.0
193.15785	0.5
245.22614	2.8
263.23730	4.0
337.27377	100.0
338.27625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03944	1.1
55.05519	24.4
56.00283	1.0
56.96575	1.0
57.03444	14.2
57.07071	4.5
62.05271	1.0
64.93166	1.0
65.03941	1.9
67.05509	49.0
69.07073	29.6
71.04984	1.4
71.08613	1.7
79.05071	1.1
79.05495	13.9
81.06585	2.2
81.07061	46.0
83.04993	1.7
83.08227	1.0
83.08636	13.5
91.05479	9.2
93.07051	12.6
95.08614	33.9
97.06534	4.1
97.10173	8.1
98.21524	1.8
98.97602	1.7
105.07047	6.0
107.08597	7.4
109.10167	15.9
111.11720	1.6
119.08573	5.0
119.10944	1.1
121.10140	6.2
123.11733	5.7
133.10147	6.2
134.98293	1.0
135.11705	3.3
137.13283	2.9
147.11678	3.4
149.13263	1.9
156.04280	1.1
161.13275	1.2
163.14868	2.0
175.14812	1.8
176.07085	2.7
184.80542	1.4
229.22200	1.0
245.22615	1.4
260.63208	1.5
263.23834	2.9
281.08258	1.2
309.07651	3.0
314.16367	2.1
337.07016	4.6
337.10742	1.8
337.27399	100.0
338.27866	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	337.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
53.68679	0.7
55.01873	1.0
55.05508	2.0
56.96561	3.5
57.03449	1.0
61.58938	0.8
61.85395	0.8
67.05511	4.6
69.03434	2.5
69.07064	3.4
69.79389	0.7
70.52257	2.4
71.04976	2.1
73.02908	1.3
79.05483	3.0
81.03411	2.7
81.07059	7.6
81.95305	0.8
82.07413	1.4
83.08604	1.4
84.96038	1.1
85.02905	2.1
85.06538	0.9
91.05484	3.2
93.07047	3.0
95.04974	1.1
95.08620	4.4
97.02872	1.8
97.06512	0.9
98.52322	0.9
98.97576	6.1
99.04460	0.9
105.07045	2.9
107.04909	0.8
107.08590	3.3
109.02878	2.5
109.10165	1.9
110.03658	1.0
116.98637	2.1
119.04916	0.8
119.08581	2.3
121.02856	1.1
121.10156	1.6
123.11728	1.4
127.03911	3.4
133.10155	1.6
135.11737	0.7
137.06009	1.5
145.02872	1.0
147.11662	2.2
151.07552	1.5
153.01866	2.0
158.99641	1.3
163.03908	1.4
176.07048	4.7
183.37666	0.9
213.08067	0.9
226.10330	1.2
234.06818	2.2
237.13243	1.1
243.09122	1.1
244.16246	3.8
247.10902	1.7
249.09320	1.0
252.11311	1.2
256.11554	3.8
260.63052	5.6
262.06354	1.7
263.11145	1.4
270.17786	2.4
277.08591	1.5
281.08090	3.2
281.12289	3.3
290.05893	2.7
291.10086	0.8
299.13403	2.8
305.08170	4.0
309.07562	7.5
309.10794	1.2
336.67175	1.7
337.07104	9.0
337.10812	12.0
337.16241	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01863	0.8
55.05504	1.3
56.96554	1.5
57.03433	0.8
57.07095	0.5
67.05525	3.0
69.03421	2.2
69.07054	1.7
69.91650	1.9
70.06582	0.4
71.04996	1.1
73.02895	0.5
78.33627	0.5
78.86890	0.5
79.05488	2.8
81.03413	3.0
81.07040	4.7
83.08617	1.1
85.02905	1.5
85.06544	0.7
90.05562	1.1
91.05472	1.9
93.07028	1.4
95.04975	0.5
95.08598	2.3
97.02906	1.9
97.06511	0.5
98.97586	4.1
99.04436	0.7
105.07024	1.6
107.05018	0.7
107.08595	1.9
109.02873	3.3
109.06544	0.5
109.10158	1.4
110.03668	0.6
110.97571	1.0
116.98621	1.6
119.08589	1.3
121.10131	1.7
123.04445	0.5
123.08060	0.5
123.11762	0.8
127.03927	3.1
127.11141	0.8
128.98611	0.5
131.08556	0.8
133.10139	1.3
135.11707	0.6
137.05975	1.4
147.11699	2.0
153.01842	2.3
158.99599	0.8
163.03905	0.9
165.12828	0.9
176.07072	1.7
177.00597	0.5
201.00748	0.7
201.74426	0.5
205.09181	0.5
206.07375	0.5
223.02599	0.5
234.06659	0.6
243.09070	1.3
244.16235	1.6
247.11052	1.5
252.11458	0.7
256.11380	2.7
260.62936	2.4
261.10211	1.0
262.06216	0.6
263.11295	0.9
270.17868	1.3
281.08209	1.8
281.12210	2.4
290.05664	1.1
295.05957	0.7
299.13324	2.6
304.13751	0.6
305.08133	1.6
309.07651	3.3
309.10892	0.9
319.09943	0.8
319.15216	0.9
336.67252	1.2
337.07132	4.2
337.10898	7.3
337.16232	100.0
338.16635	1.7
349.16510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
56.92368	1.2
69.73096	5.7
69.73504	2.1
105.60099	1.3
115.41362	1.2
122.20499	1.3
161.38556	1.6
172.80011	1.1
204.73079	1.2
280.11740	1.5
337.08929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11268	1.1
55.01870	2.5
56.04968	1.1
56.96571	12.7
57.03443	6.9
61.02936	14.9
66.52673	1.1
69.03427	2.1
70.06587	3.0
70.58402	4.2
70.98114	5.9
73.02907	3.6
84.04543	1.3
84.08118	1.8
85.02896	7.8
85.88475	1.1
87.00863	1.5
88.99161	2.1
97.02892	2.5
97.34269	1.3
98.97593	23.7
101.00892	4.7
110.97559	6.0
112.99129	4.9
113.00834	2.9
113.03395	1.7
114.46450	1.5
115.02438	4.8
115.03847	1.5
116.98597	6.5
117.03943	1.3
119.01919	4.6
119.48482	1.3
124.95474	3.5
127.03931	2.0
128.98625	9.1
130.08612	1.8
131.00180	2.2
131.01918	2.3
132.01834	1.1
133.03418	7.3
136.06146	1.4
139.02342	1.2
140.73640	1.5
142.09167	1.4
143.01880	7.4
143.03430	1.2
145.03447	4.2
146.99649	5.1
147.05006	1.6
149.01169	1.7
149.02951	1.8
150.13161	1.5
152.94917	1.7
155.01875	3.0
157.03528	3.3
158.99675	3.9
161.01311	1.7
161.02951	5.5
161.04411	1.4
165.00717	1.4
167.01894	2.4
170.96024	3.6
170.99707	1.5
171.01395	2.4
173.02995	5.0
174.02815	1.3
174.99165	2.8
177.00766	2.4
184.97670	2.3
188.02522	1.9
188.97067	5.2
189.00725	5.5
191.04022	2.1
197.02916	3.2
198.09128	1.2
199.09464	1.9
201.02425	2.0
202.98639	1.9
205.01933	2.2
206.98247	1.3
207.01846	2.3
212.97058	1.9
215.00407	1.5
217.00153	2.1
217.01976	1.4
218.03464	7.9
218.53770	1.5
219.01768	5.6
221.05229	2.3
227.04039	7.9
227.54108	1.8
230.98137	3.7
231.03526	1.5
234.06706	1.9
237.02840	4.4
244.99532	6.0
246.57156	1.7
247.03094	2.5
254.99770	1.4
261.03647	2.1
263.00668	9.0
275.06131	2.6
277.02374	2.4
278.05261	1.3
279.09164	1.4
291.04620	2.9
292.05063	1.3
295.04056	1.4
295.07083	5.0
305.12189	3.2
315.02014	2.1
319.05096	3.0
321.05722	1.6
321.12402	3.0
333.03159	1.9
337.08926	100.0
337.15106	3.6
338.09024	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1071
Annotation	Dulciol D
Peak:m/z	Relative Intensity
53.03950	0.3
55.05516	1.9
56.96552	0.2
57.03446	1.2
57.07080	0.3
65.03931	0.2
67.05506	4.1
68.99767	0.2
69.03397	0.2
69.07072	2.3
77.98713	0.2
79.05499	1.3
81.06586	0.3
81.07058	4.3
83.08616	1.2
85.02892	0.2
85.06669	0.2
91.05494	1.1
93.07054	0.8
95.04951	0.2
95.08611	2.7
97.06538	0.2
97.10170	0.5
98.28944	0.2
100.01640	0.2
105.07007	1.1
107.04956	2.0
107.08601	0.4
109.06577	0.2
109.10141	0.8
115.05376	0.2
117.06999	0.2
119.04957	0.5
119.08589	0.4
121.02875	0.5
121.10137	0.4
123.11700	0.4
129.07024	0.3
131.04907	0.3
133.10127	0.5
135.04417	3.8
145.02840	0.3
145.06456	0.9
147.04398	0.3
149.06023	0.2
153.05511	0.2
157.06441	0.2
159.04440	0.2
159.08125	0.2
163.03935	0.4
165.68631	0.2
171.04465	0.4
172.05208	0.3
173.06062	0.4
175.04004	0.3
175.07559	0.8
176.04655	0.6
176.07092	0.3
187.07579	0.2
189.05493	0.3
191.03404	0.2
197.05962	0.3
197.09900	0.2
198.06798	0.3
200.04704	2.1
201.05461	2.2
202.07808	0.2
203.03429	0.5
205.04979	0.3
206.04765	0.2
215.06792	0.2
217.10158	0.3
219.06560	0.9
219.08321	0.2
220.08871	0.5
226.41510	0.2
228.04210	1.1
229.19331	0.2
231.08046	0.2
239.06999	0.2
245.09624	1.5
247.07443	0.4
248.08308	1.0
260.03168	0.6
260.63043	0.3
263.10739	1.4
263.23877	0.2
273.09171	0.4
275.06815	0.2
276.07858	1.0
277.08578	0.5
281.11624	0.3
283.05957	0.8
290.09348	0.3
291.10049	1.2
293.08078	0.8
295.05936	0.3
295.09253	0.2
301.08670	0.4
303.06519	0.2
304.07355	0.6
305.08109	2.0
307.06012	0.6
308.06717	0.2
309.07715	0.4
309.11166	0.4
319.09650	10.9
321.07587	10.8
322.08347	4.9
336.06232	0.7
337.10706	100.0
337.27313	6.6
338.11072	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89133	1.9
55.01864	9.1
55.05514	4.5
56.96555	7.7
57.03442	3.4
57.07087	2.3
58.06588	5.0
61.02920	2.1
63.75760	1.8
67.05514	22.0
69.03422	3.2
69.07072	40.5
70.07398	14.6
71.04991	4.0
71.56962	2.8
77.03454	1.8
79.05502	10.3
81.03410	4.8
81.07075	11.8
83.04984	20.6
83.08624	3.9
84.04509	2.4
84.96034	3.5
85.02893	4.7
85.06557	2.4
91.05500	14.4
92.04993	2.4
93.07053	12.1
95.04967	7.7
95.08597	7.7
97.06537	17.3
98.06881	4.2
98.40248	2.1
98.97571	9.5
99.04412	3.6
103.05500	2.2
105.07021	6.6
107.04936	6.1
107.08611	10.9
109.06506	3.2
109.10136	8.8
111.04446	53.2
111.08086	14.8
112.67674	2.1
116.98591	3.8
117.06995	3.5
119.08569	9.1
120.08156	2.2
121.06489	5.8
121.10126	13.4
123.04475	2.7
123.06336	3.1
125.05957	3.2
127.03933	4.0
128.06169	2.3
131.08582	5.4
132.00972	2.1
133.10121	3.5
135.11678	13.1
136.07503	2.2
137.05989	14.6
140.07080	2.6
143.00197	2.0
145.06506	2.0
145.10115	11.5
147.04344	2.5
147.11688	5.2
148.07564	2.6
149.06000	4.4
149.09607	4.0
150.05516	24.7
151.04008	13.3
151.05832	19.1
151.07509	3.5
153.12770	18.3
155.30908	2.2
157.08809	2.2
158.99797	2.0
161.01186	2.3
163.03897	3.6
163.07555	2.5
163.11205	38.1
164.07089	5.3
165.07378	2.8
166.04944	10.9
167.05350	8.1
170.99681	2.6
171.11655	1.9
173.09607	10.3
175.13268	2.7
176.07076	2.8
177.07867	2.2
178.07672	2.0
181.12236	44.9
183.08429	2.7
191.10706	31.2
206.07480	2.5
209.11719	11.0
218.11710	2.3
219.01849	4.7
219.12108	14.4
227.12816	43.3
229.10564	9.4
230.08795	2.3
234.06734	10.9
234.45859	2.3
235.07550	2.4
237.02875	2.8
237.09216	2.6
245.05695	2.0
246.11259	2.3
246.93488	2.2
247.11681	13.7
248.08229	2.4
260.12894	43.2
260.63110	10.2
261.05576	2.2
262.06256	10.4
266.09277	2.2
271.02820	1.9
273.05658	3.1
273.09296	2.3
274.06107	2.6
276.08047	2.4
277.08575	8.9
279.06122	2.2
281.08035	7.3
283.15411	100.0
288.10538	5.5
290.05750	15.3
290.12204	7.1
291.10400	2.8
300.10672	2.6
301.16507	56.6
303.08560	7.7
305.08051	20.4
307.06131	2.1
309.07657	18.8
318.11560	17.6
319.09528	2.7
327.65659	3.5
336.06168	2.5
336.12656	13.8
336.16995	12.7
336.21664	5.3
336.67093	6.2
337.07007	18.9
337.10727	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03939	2.4
55.01877	0.7
55.05274	0.7
55.05515	13.9
57.03191	0.9
57.03442	14.0
57.07064	1.8
57.48828	0.7
60.67715	0.6
65.03938	2.2
67.05507	56.1
68.97033	0.6
69.07071	12.8
69.21089	7.1
71.04988	1.2
79.05493	28.5
81.07059	54.3
83.04972	0.8
83.08627	6.2
85.06536	2.0
88.65898	0.6
91.05482	13.8
93.07046	31.0
93.60903	0.7
95.04954	2.2
95.08611	38.8
97.06527	2.2
97.10152	2.1
98.20787	1.3
105.07034	8.5
107.08598	16.8
109.06551	1.4
109.09464	1.2
109.10161	17.8
111.08060	1.5
117.07033	2.8
119.08568	8.0
121.10151	12.8
123.08091	0.7
123.11728	6.4
125.09638	1.0
131.08568	5.2
133.10117	5.1
135.11708	9.0
137.09720	1.1
137.13264	1.5
142.04283	0.8
145.10136	3.6
147.11690	4.3
149.13277	3.9
159.11679	2.6
161.13245	3.4
163.11166	1.0
163.14801	1.9
173.13277	3.1
187.14833	2.0
201.16406	0.9
243.21104	3.0
261.22134	4.8
294.25034	0.6
317.24808	2.4
335.25803	100.0
336.26389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	3.4
55.01853	0.9
55.05265	1.6
55.05515	19.9
55.89738	0.8
56.08248	0.8
57.03439	19.7
57.07070	2.0
57.29402	0.9
65.03926	3.4
67.05508	71.8
69.06730	1.0
69.07072	18.8
69.98004	3.8
70.45602	0.8
71.04981	1.6
79.05496	34.9
81.07062	57.9
83.04972	2.1
83.08643	6.4
85.06533	1.6
91.04971	1.3
91.05492	17.4
93.07048	37.7
95.04958	2.6
95.08612	51.1
97.06522	1.5
97.10162	2.9
98.20808	1.3
99.08080	1.2
105.04508	1.4
105.07041	9.0
107.08598	15.1
109.06506	1.5
109.09471	1.2
109.10165	18.6
111.08121	1.4
117.07018	2.2
119.08589	6.9
121.10154	13.9
123.08054	1.4
123.11708	4.5
129.71893	0.9
131.08560	4.7
133.10132	6.3
135.11702	8.0
137.13245	1.2
145.10132	3.1
145.32076	0.8
147.11674	3.6
149.13242	5.0
159.11742	1.9
161.13254	2.8
163.14812	2.1
173.13280	2.0
175.14824	0.9
176.07001	0.8
187.14893	1.6
216.98792	0.9
243.20996	1.5
261.22162	2.1
262.66364	0.8
335.21875	43.7
335.25815	100.0
336.22070	1.7
336.25714	0.9
336.47397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.02387	0.5
53.03939	3.5
55.01881	0.6
55.05267	1.2
55.05513	17.3
57.03440	17.3
57.07059	3.0
62.83023	0.6
63.43712	0.7
65.03925	2.8
67.05508	64.7
68.26708	0.7
69.03394	0.6
69.06716	1.1
69.07069	14.1
71.04970	1.5
79.05497	32.3
81.03429	0.7
81.07059	56.9
83.04977	1.2
83.08617	6.7
85.06522	1.1
89.06059	0.8
91.05482	14.6
93.07050	36.7
95.04964	3.0
95.08611	46.6
97.06534	2.5
97.10163	2.8
99.08096	1.1
105.04552	1.1
105.07039	11.4
107.08601	16.8
109.06507	2.1
109.09461	1.1
109.10170	17.2
111.08107	0.6
111.11745	1.1
116.59043	0.6
117.07014	3.8
119.08585	8.3
121.10149	14.5
123.08060	2.2
123.11720	7.3
125.09656	1.2
131.08577	5.3
133.10138	6.2
135.11694	9.0
135.28726	0.7
137.09612	1.0
137.13245	2.1
145.10150	5.2
147.11652	3.3
149.13264	4.8
159.11659	3.3
161.13239	3.4
163.14807	2.1
165.12743	2.3
173.13290	3.6
175.14850	1.2
177.12845	0.8
187.14828	2.4
201.16454	0.8
229.19565	0.8
239.57874	0.7
243.21011	2.1
261.22214	4.7
266.48795	0.7
289.21756	2.0
306.81760	0.8
317.24667	1.3
335.25806	100.0
336.26123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.51634	0.6
53.03949	2.8
55.01868	1.3
55.05270	0.9
55.05514	15.6
57.03440	19.0
57.07069	1.8
57.99401	0.7
64.21421	0.6
65.03930	2.4
67.05507	66.0
69.07070	17.2
70.66364	1.5
70.66717	0.7
71.04973	1.6
71.08637	0.6
77.03915	0.8
79.05497	35.5
81.07060	65.0
83.04971	1.9
83.08629	6.7
85.06540	1.2
91.05483	18.6
93.07050	40.3
95.04961	2.6
95.08608	50.2
97.06503	2.2
97.10165	3.1
99.08101	1.1
103.05463	0.6
105.04494	0.7
105.07036	12.4
107.08600	20.4
108.55832	0.7
109.06489	1.7
109.10161	21.0
111.08043	0.6
117.07031	3.6
119.08585	9.5
121.09321	1.0
121.10152	18.4
123.08043	1.6
123.11723	7.2
126.88199	0.7
131.08571	7.1
133.10147	7.4
135.11700	12.0
137.13254	1.8
145.10120	5.7
147.11694	4.8
149.13260	6.4
149.18906	0.6
151.11125	0.7
151.14789	1.0
159.11713	4.0
161.13280	4.1
163.11119	0.8
163.14850	2.2
165.12691	1.0
173.13278	3.7
175.14809	0.8
177.16360	0.7
187.14847	2.0
189.16461	0.7
202.19672	0.7
212.43047	0.6
243.21095	4.8
261.22134	6.7
279.23267	1.1
317.24808	2.7
335.25809	100.0
336.26385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27506	0.5
71.25726	1.0
79.05469	1.1
81.07050	0.9
93.07016	0.7
95.08611	0.9
107.08612	0.6
109.10124	0.6
161.04828	0.7
164.07129	0.6
176.07083	2.3
177.07468	0.9
239.11240	0.6
257.12430	0.7
335.21942	100.0
336.22122	0.9
353.21631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03937	3.0
55.05517	13.7
57.03232	1.2
57.03440	13.8
57.07071	1.4
63.57185	1.6
65.03934	2.9
67.05511	65.9
69.07082	13.0
69.34625	8.3
69.35040	3.7
73.62315	1.6
79.05502	29.8
81.06586	3.0
81.07065	56.4
83.08610	5.0
85.06554	2.0
91.05486	12.7
93.07053	34.6
95.04971	1.9
95.08609	48.7
97.06541	3.3
97.10202	1.9
105.07057	7.9
107.08606	18.9
109.10176	18.0
117.07017	3.6
119.08601	7.1
121.10149	14.0
123.11735	6.7
131.08575	6.0
133.10123	6.6
135.11661	9.2
137.13266	3.2
145.10118	4.9
147.11737	4.5
149.13239	5.8
159.11674	2.3
161.13223	4.8
163.14877	2.5
173.13254	3.7
182.96082	1.5
243.21179	2.5
261.22107	7.6
309.54111	1.6
335.25830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
56.96561	0.3
57.03427	1.8
65.03921	0.4
67.05177	0.6
67.05508	7.0
69.07076	1.7
71.57031	0.8
72.04529	0.7
79.05500	3.6
81.07058	6.6
83.04963	0.5
83.08611	0.7
85.06548	0.5
91.05481	2.0
93.07047	4.1
95.04980	0.8
95.08609	5.6
96.61816	0.4
102.59769	0.4
105.07034	1.7
107.08591	2.8
109.06530	0.7
109.10148	2.6
111.08076	0.4
117.07027	0.6
119.08611	1.3
121.06503	0.4
121.10174	2.0
123.11698	0.9
131.08592	1.1
133.10173	1.5
135.11732	1.8
135.64618	0.4
145.10155	0.8
147.11659	0.7
149.13290	0.7
159.11729	0.7
161.04750	0.4
161.13280	0.5
163.14838	0.5
165.12791	1.2
166.13152	0.8
171.88176	0.3
173.13283	0.6
176.07117	1.2
177.07420	0.4
177.16429	0.6
187.14897	0.4
195.10033	0.4
211.85400	0.4
220.99251	0.4
233.11710	0.7
235.13081	0.7
235.60905	0.3
243.21065	0.7
261.22333	1.1
335.21994	100.0
335.25815	13.2
336.22330	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49395	0.7
55.05507	1.1
55.36578	0.7
56.96563	2.2
57.03424	1.2
67.05497	3.0
69.07060	1.5
71.54914	0.9
79.05473	2.2
81.07032	3.2
86.90703	0.7
91.05475	1.3
93.07034	2.5
95.08619	2.3
98.97585	4.0
101.87654	0.6
105.07014	1.3
107.08601	1.1
109.10165	1.4
110.97624	0.9
116.98626	2.1
117.07069	1.0
119.17478	0.8
143.00156	2.2
147.11681	0.8
158.99661	1.2
161.01271	1.0
164.07095	1.1
165.12726	1.4
166.13116	1.5
170.99622	1.2
176.07047	2.8
177.00749	1.6
177.07448	1.3
178.08560	0.7
189.00755	1.3
198.18500	0.9
237.14711	1.5
258.65094	1.1
261.02777	1.3
265.12003	0.8
279.03909	3.4
288.20258	0.9
317.20959	0.9
334.69229	1.1
335.21960	100.0
336.22067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
54.32550	0.4
55.05519	0.5
56.02545	0.4
65.03938	2.6
67.05512	3.8
67.47963	0.4
69.03445	0.6
69.07074	100.0
69.46552	2.2
69.46976	1.3
79.05504	2.0
80.05028	1.0
81.03373	0.5
81.07065	5.3
83.01371	0.5
91.04218	0.6
91.05494	1.5
92.05025	3.9
93.05811	0.7
93.07020	1.0
94.06589	4.0
95.04987	1.9
96.08141	1.1
97.06541	15.8
98.97536	0.7
105.07069	0.6
107.08605	0.6
108.04506	1.6
108.08117	0.5
109.06556	1.0
112.07681	0.7
117.07045	0.6
119.03715	1.0
120.04471	1.5
121.05232	0.7
121.06556	1.1
122.06037	8.5
124.07583	2.5
125.06030	1.6
126.05570	0.5
129.07027	0.8
130.06554	0.6
131.07372	0.9
132.08112	0.6
134.06046	0.8
137.06001	3.1
138.05519	5.4
140.07068	7.7
141.07855	1.1
142.08653	1.1
143.08569	0.5
144.08086	1.6
145.08884	3.0
145.10135	1.2
145.34071	0.5
146.09650	3.8
147.06784	1.2
148.03958	4.0
150.05518	78.9
152.03409	1.1
152.07126	0.6
155.08580	0.6
157.08876	2.5
158.06056	0.6
158.09665	1.0
159.08179	0.5
159.10425	1.4
160.07584	1.9
160.11258	1.0
161.08379	3.5
162.09134	2.6
164.03487	1.2
164.07082	0.7
165.04240	1.2
166.05017	30.3
167.07248	0.7
168.06615	2.0
170.09689	0.6
172.07610	1.4
172.11206	4.8
173.08401	1.9
173.09706	0.6
174.05806	0.5
174.09195	1.5
174.12814	6.4
176.03436	8.4
178.05011	2.4
182.04475	0.8
184.07608	0.5
185.08389	2.0
186.07613	1.6
186.09158	1.0
187.06331	0.5
187.10014	0.9
188.10762	1.2
190.08614	1.4
190.12294	4.3
192.02928	1.5
194.04529	3.4
198.07672	0.8
198.09286	1.1
199.06302	0.9
200.07133	2.0
200.10754	7.0
202.08643	0.5
202.12305	7.5
204.10223	1.0
213.10332	1.3
216.10213	4.2
218.08253	1.9
218.11786	28.0
226.08768	1.0
227.11809	0.8
228.10222	16.0
229.13406	1.5
230.11760	0.6
234.11272	2.7
241.09692	0.5
243.11322	1.9
244.09758	2.1
245.12900	2.1
246.11288	24.5
254.08388	0.5
255.11389	1.3
256.09677	1.4
257.09189	1.2
261.08884	0.9
261.12393	1.1
262.10773	0.6
269.09116	0.8
271.07202	0.7
271.07809	0.7
271.10834	4.4
272.09174	4.1
273.12375	3.6
274.10730	3.3
287.10248	7.2
289.11862	11.8
290.10257	2.1
291.13419	1.0
299.10272	6.7
313.12201	0.7
317.11359	30.5
335.12396	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34015	1.3
56.96570	19.4
57.03431	2.3
59.70374	1.3
59.72610	1.2
61.02920	2.0
68.00615	1.2
69.03423	3.0
70.06591	2.6
70.98119	13.2
71.55894	1.6
81.03407	1.9
82.06579	1.4
82.99853	4.8
84.04495	2.4
84.08138	3.4
85.02897	6.2
88.99155	6.0
94.99840	1.7
97.01411	2.4
97.02886	3.6
98.97587	12.8
98.98466	2.6
101.00891	31.0
109.02878	2.6
110.97577	2.3
113.00890	14.4
115.02464	7.1
116.98606	2.7
119.01925	28.4
120.08097	3.1
121.06504	1.9
123.05581	3.3
127.02432	4.1
127.03861	2.5
128.97821	1.4
128.98616	9.8
129.03961	3.2
130.06546	6.4
131.01918	26.9
131.05559	14.5
131.06473	1.8
131.06862	1.5
132.13220	1.4
133.03470	5.6
137.00853	4.8
137.05930	4.4
141.19141	1.4
143.01906	89.6
144.98158	2.4
145.03456	11.6
146.99664	11.1
147.01442	1.9
147.05017	2.7
149.06583	9.1
154.96539	4.7
155.01907	41.2
155.05554	5.9
156.02695	1.9
157.03447	4.9
158.06015	1.7
158.99660	2.9
159.05072	7.7
161.02969	70.5
165.00735	4.9
167.05536	3.1
169.07140	2.0
171.05048	3.0
172.97621	19.8
173.02994	30.6
173.06619	35.9
173.07939	1.2
175.04520	2.9
177.00748	3.0
177.06076	4.4
184.04575	2.3
185.02983	6.4
185.06615	47.7
186.99214	2.5
187.08173	9.2
190.98662	17.4
191.02376	1.7
191.04048	1.6
191.06024	2.4
191.07652	9.5
197.02928	1.7
197.06667	3.5
199.08194	2.4
200.10594	2.2
201.11131	2.5
203.03969	15.3
203.07674	16.3
205.00269	11.1
205.09213	2.1
208.99686	1.6
209.06618	3.2
214.98630	2.3
215.07681	16.1
217.09279	2.3
218.98097	3.9
221.05067	26.2
223.01303	5.0
225.10974	1.6
227.07663	4.1
230.10002	1.4
232.99673	19.9
233.08672	3.2
237.02876	2.2
239.09175	1.9
241.10513	1.7
243.11226	1.4
245.05147	6.3
247.01080	2.2
251.00797	6.0
251.35532	2.0
255.12160	1.6
257.08661	10.6
267.08450	2.5
275.00781	8.6
275.09775	64.7
285.09540	3.7
293.02005	8.1
293.10825	90.0
300.13116	1.5
301.12585	3.3
303.13324	12.5
316.12531	2.7
317.12054	3.4
335.11929	100.0
335.16022	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	334.2378
Annotation	CARBETAPENTANE
Peak:m/z	Relative Intensity
52.40139	0.2
55.05519	0.3
69.03448	0.2
69.07053	0.2
69.38307	0.3
69.38721	1.2
74.90791	0.2
78.73545	0.2
78.81123	0.2
79.05492	0.4
81.03410	0.3
81.07076	0.2
85.02843	0.2
91.05489	0.8
93.07057	0.2
93.76572	0.2
95.08615	0.2
97.02865	0.2
97.06586	0.2
98.97604	0.2
102.50941	0.2
104.91292	0.2
106.06569	1.4
107.07335	0.3
107.08578	0.2
117.05754	0.6
118.06547	3.1
119.08607	0.2
121.06498	0.4
130.06564	0.4
131.07327	1.0
132.08098	1.6
133.08885	0.2
134.09633	0.7
137.06006	0.9
138.06299	0.2
144.08066	0.5
146.09634	2.4
151.09958	0.2
160.11237	2.6
162.09143	5.1
163.09955	0.2
167.07071	0.4
172.11200	0.4
174.12825	0.4
176.10716	3.7
177.11461	0.5
186.12729	0.3
188.14297	0.2
190.12270	8.3
202.15808	0.2
204.13902	1.5
206.15379	0.3
218.15479	0.4
232.16858	0.3
244.20647	1.7
246.18692	0.3
257.97260	0.2
264.08505	0.2
272.20108	10.5
274.08041	0.2
290.21118	1.4
316.18549	0.2
316.22772	0.5
334.23758	100.0
335.24097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
53.86863	1.4
54.48903	1.5
55.01865	4.8
55.05497	6.5
56.96556	3.0
57.03422	4.2
57.07071	4.9
67.05509	21.4
69.07065	8.9
70.01372	4.5
70.01784	2.6
71.08630	10.7
72.04520	61.7
79.05506	11.2
81.07063	25.1
83.04973	1.5
83.08615	3.5
84.09187	1.6
85.06563	1.6
91.05482	9.6
93.07049	19.5
95.04968	15.1
95.08041	2.6
95.08612	23.8
97.06538	4.0
97.10177	1.8
98.85344	1.6
98.97587	2.5
98.98423	2.0
99.08095	7.6
100.07625	2.0
105.03410	1.3
105.07059	8.2
107.08594	15.4
109.06522	19.6
109.10151	8.1
114.09171	13.7
117.07001	3.1
119.08581	7.1
121.06456	3.8
121.10147	5.4
123.08080	2.4
128.10712	6.2
131.08592	6.7
133.10106	9.8
135.08046	2.5
135.11700	2.6
142.12299	3.2
145.10106	3.8
147.11673	3.7
149.09598	1.7
149.13251	4.1
151.14941	2.2
156.13876	3.9
157.10059	1.6
159.11636	2.3
161.04716	3.7
161.13260	2.3
163.06297	1.5
165.12764	100.0
168.13829	1.4
173.13287	8.2
175.11203	3.7
175.14755	1.7
176.07103	13.6
178.08582	2.1
180.13850	5.0
182.15421	11.9
184.13307	1.5
190.08528	1.6
191.14287	7.9
194.15331	2.5
201.12779	4.5
212.16496	9.8
220.16978	12.8
229.19490	2.1
236.20100	39.4
236.94458	1.5
258.14926	2.2
267.09106	1.6
270.81131	1.6
271.20575	8.4
285.10117	2.0
287.95935	1.4
289.21689	7.2
316.18076	3.1
316.26422	6.9
334.19312	7.8
334.27414	68.6
335.21826	3.8
335.25854	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	334.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.2
56.96562	0.2
57.07077	0.2
61.96197	0.2
64.15224	0.2
66.02752	0.2
66.34501	0.2
67.05500	0.2
69.03454	0.2
69.07095	0.2
70.38382	0.2
70.89285	0.2
70.89617	0.3
71.05708	0.2
79.05502	0.4
80.05837	0.3
81.03432	0.2
83.04976	0.2
85.02914	0.2
88.80172	0.2
91.05482	0.3
92.05806	0.2
93.07037	0.2
95.08575	0.4
97.02908	0.2
98.97546	0.2
98.98476	0.2
105.07045	0.3
107.07314	0.3
107.08580	0.5
108.08967	0.3
117.05736	0.4
118.06551	4.7
119.04975	0.2
119.08559	0.2
130.06534	0.4
131.07343	1.0
131.08307	0.2
132.08102	2.4
133.08847	0.6
134.09673	0.5
137.05997	1.1
138.06351	0.6
144.08067	0.4
145.08873	0.3
146.09656	2.6
147.10429	0.2
149.13271	0.2
150.13588	0.3
158.09665	0.3
160.11220	1.0
162.09148	4.6
163.03897	0.2
164.06998	0.2
167.07025	0.3
168.07349	0.3
172.11201	0.3
174.12866	0.3
176.10710	5.7
176.14305	0.5
177.11478	0.9
178.12175	0.2
188.14357	0.4
190.12294	2.7
202.05003	0.2
204.13849	1.2
216.13779	0.9
218.15471	0.3
244.13403	0.9
244.20624	0.7
254.06216	0.2
260.12784	2.9
272.20096	9.9
289.10611	0.2
290.21133	2.5
304.18469	0.2
316.15466	0.4
316.22736	0.6
334.23767	100.0
335.24112	1.4
348.83713	0.2
351.99481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2009
Annotation	alpha-Eucaine
Peak:m/z	Relative Intensity
55.05520	0.3
56.96600	0.2
65.51993	0.2
70.06587	0.8
71.56984	0.3
72.08156	0.3
73.41991	0.2
74.83994	0.2
79.05495	0.2
81.07057	0.6
84.04489	0.3
85.02930	0.3
85.06531	0.6
86.09702	0.5
91.05482	1.6
93.07067	0.3
95.04979	0.3
102.00469	0.2
105.07021	0.4
109.06513	0.3
116.07102	0.4
118.06567	0.2
119.01920	0.3
120.01451	0.3
120.08080	0.3
137.06009	0.2
146.06009	0.7
150.06743	1.0
151.07523	0.8
157.13367	0.3
165.07011	0.2
165.09123	3.4
167.08665	0.2
172.04684	0.2
174.79630	0.2
175.07501	0.2
176.05565	0.8
177.09186	0.4
186.09198	0.2
188.07050	1.4
189.09010	0.2
192.10201	0.6
194.06648	1.4
194.11722	0.5
196.08923	0.2
196.11038	0.2
200.10716	0.6
201.09155	0.2
203.10658	0.3
205.09801	0.3
206.11850	0.2
207.08124	0.3
209.09720	0.3
212.07735	0.7
214.08595	1.3
214.12079	0.3
215.09129	0.4
215.10977	0.2
216.10223	0.8
217.10963	1.0
222.26077	0.2
224.12094	1.1
225.09081	0.6
228.10178	2.4
229.10902	2.0
230.11746	2.9
231.12582	0.9
232.13260	0.4
235.07591	0.5
239.10722	0.6
240.11430	1.4
240.13853	0.5
242.11763	0.6
244.13341	15.7
245.13971	0.7
248.07613	1.1
253.08530	0.3
253.14688	0.5
255.13943	0.4
256.10657	0.2
258.14941	0.8
266.08777	3.2
266.11429	0.2
267.10266	1.0
268.13309	2.6
269.14038	0.2
270.14999	0.2
271.10767	0.3
276.14917	0.2
284.16461	3.3
286.14407	1.9
287.15152	0.8
290.08731	0.4
299.12836	0.6
300.15909	0.5
302.17514	32.2
303.17657	0.3
308.09729	0.7
316.14932	0.5
316.19034	1.9
317.11032	0.3
318.17041	0.5
319.17712	0.4
334.20108	100.0
335.20316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38748	0.4
57.58045	0.5
66.34444	0.4
66.93418	0.5
68.66981	0.4
70.95754	1.2
76.66013	0.4
98.98459	2.3
118.87854	0.4
119.08601	0.5
228.57236	0.5
235.13033	1.8
251.12524	1.0
260.98410	0.4
315.18033	1.0
333.20383	100.0
334.20798	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92373	0.9
53.03944	0.7
55.01870	1.0
55.05514	3.7
56.96569	2.4
57.03439	3.5
57.07084	1.6
61.02940	2.2
67.05509	13.9
68.53806	0.7
69.03431	1.3
69.07088	2.6
69.78620	1.7
69.79006	1.8
70.06594	1.0
73.02937	1.2
79.05499	9.0
80.30228	0.9
81.03405	1.1
81.07063	9.2
81.07455	0.8
85.02949	1.6
86.43961	0.8
88.07610	0.8
91.03951	1.7
91.05475	5.4
93.07052	7.9
95.04998	1.6
95.08609	7.8
95.09053	0.6
97.02933	1.1
98.20842	1.4
98.97598	1.8
98.98484	8.3
100.98926	0.9
103.46281	0.8
105.07036	4.0
107.05047	0.8
107.08595	4.0
109.10192	2.7
117.07019	0.7
119.08615	3.3
121.10212	2.3
123.05572	0.9
129.05486	1.7
131.08614	1.2
133.10179	3.2
135.11732	1.8
138.64935	0.7
145.10199	1.1
147.11754	1.7
149.13354	0.8
157.10207	0.7
159.11778	0.8
176.99037	1.2
177.00691	0.8
210.33437	0.9
251.63414	1.0
260.63815	1.6
261.22049	0.9
283.15402	1.2
315.17795	5.0
317.18039	1.4
332.34320	1.9
332.65820	16.7
332.69427	1.1
333.20490	100.0
333.24402	13.4
333.34509	5.0
334.20926	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52696	0.5
67.05497	0.8
70.51052	0.5
70.95399	1.4
79.05491	0.9
81.07052	0.9
81.08498	0.5
84.20914	0.5
90.01882	0.6
93.07064	0.5
98.98476	1.5
103.38190	0.4
105.07026	0.7
107.08586	0.5
140.51576	0.5
194.72937	0.5
201.09796	0.9
202.79254	0.5
227.11282	0.7
235.46844	0.6
239.11395	1.5
247.13055	2.6
257.12418	1.9
315.19437	5.8
333.20395	100.0
334.20535	1.1
351.20319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
65.50237	0.3
69.80055	1.0
69.80457	0.8
73.44500	0.3
76.93905	0.3
78.99326	0.3
79.41715	0.3
80.66290	0.3
98.98470	3.3
119.02689	0.3
131.08722	0.3
176.98936	0.6
195.09938	0.8
218.59789	0.3
281.82080	0.4
302.57010	0.3
315.17960	1.1
333.20392	100.0
334.20734	1.0
337.24902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23376	0.5
68.53622	0.4
70.85486	0.4
70.95006	0.5
70.95343	1.0
85.25805	0.4
86.90453	0.4
98.98468	1.3
110.52850	0.5
113.72249	0.5
148.86301	0.5
235.13101	0.6
261.07370	0.4
308.45621	0.6
315.18192	0.5
333.20370	100.0
334.20670	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01192	0.4
56.14218	0.4
56.96484	26.9
56.96799	4.7
57.03394	0.8
57.04932	0.5
58.00714	0.5
61.02870	0.8
67.05421	2.0
69.06996	0.5
69.17879	2.5
69.18314	2.4
70.59087	0.5
71.95171	5.4
71.95613	1.0
72.95959	1.6
73.54743	0.5
74.97521	1.2
78.42355	0.5
78.52454	0.5
79.05390	2.0
80.98055	0.5
81.06987	1.1
84.95937	2.2
85.02801	0.8
88.95628	0.6
89.96208	0.5
91.03904	0.5
91.05392	0.9
93.06943	1.5
95.08500	1.0
97.96793	3.2
97.99101	0.6
98.20698	0.9
98.97477	3.0
98.98476	3.2
105.00034	1.9
105.00707	0.5
105.06960	1.1
107.08493	1.1
110.97574	18.3
112.99091	0.7
115.97715	1.6
116.98524	0.8
119.01577	0.5
119.08534	0.7
123.01125	1.2
124.99078	0.9
128.98611	17.0
130.99971	0.5
137.02643	1.5
137.05876	0.7
141.02101	1.0
143.00046	2.3
146.99667	7.8
151.00607	0.7
151.04282	0.5
152.00082	2.0
153.02127	0.6
155.03702	1.0
157.01678	0.8
158.99573	0.9
161.01210	2.7
165.05328	1.4
165.78786	0.5
166.05742	0.5
167.03745	0.7
167.05811	0.5
169.01675	0.9
170.01138	0.7
171.03288	3.0
175.02634	0.7
178.08499	0.8
179.02156	0.7
185.04697	1.5
189.04250	2.3
201.04312	0.6
203.05807	1.5
213.07843	0.6
221.04749	0.9
225.07866	1.5
227.09412	1.8
231.08907	0.8
241.11008	1.5
245.08438	1.2
245.10562	1.3
251.63081	0.8
259.12186	1.4
261.07999	0.7
263.09589	4.1
264.10364	0.6
265.11090	1.4
272.13855	0.5
277.11078	1.4
285.11774	0.8
289.10989	0.9
297.57309	0.6
303.12708	2.9
305.43384	0.6
313.14633	1.7
315.16287	75.5
316.16556	1.0
326.14105	0.8
331.15808	3.5
332.65787	6.1
333.17343	100.0
334.17761	1.1
351.14243	1.0
351.18420	15.5
356.18994	22.5
357.19098	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72218	0.6
55.01863	1.0
56.05010	0.7
56.96548	1.1
58.06605	7.1
59.06929	1.4
59.56366	0.6
69.03416	1.1
69.07063	0.7
69.18855	4.0
69.19278	2.5
70.06602	3.0
72.08147	1.9
79.05484	0.9
81.03373	0.6
81.07068	0.9
84.04493	2.2
84.08140	2.8
85.02895	1.2
85.04851	0.7
86.06067	1.0
86.09698	1.8
88.69302	0.7
91.05485	8.0
92.05821	3.5
97.02850	1.3
98.97569	2.4
98.98461	5.9
99.63515	0.7
103.05505	0.6
107.04921	0.9
107.08663	0.6
109.02841	0.7
110.07104	1.1
114.67777	0.6
118.06566	3.6
119.04938	1.1
119.06873	3.5
120.08102	1.2
123.04435	0.6
123.05540	2.9
127.03902	0.7
130.06511	1.7
131.04855	0.7
131.06938	0.8
133.06419	0.6
135.04367	0.8
136.06165	1.5
137.05951	3.8
146.05952	1.1
147.04399	0.8
149.05989	3.9
150.06308	3.6
151.07529	1.2
153.01778	0.7
154.06212	0.6
155.06953	0.7
156.07779	1.0
157.08488	1.5
164.06987	1.0
165.06985	1.5
165.09155	1.6
166.07297	2.2
166.09410	0.8
167.07066	1.6
167.08363	1.0
169.08556	2.0
170.09274	1.3
171.10001	1.3
173.06047	0.6
174.05484	0.8
174.11877	0.6
175.07549	0.7
176.98946	1.0
180.08882	2.0
181.06326	0.6
181.08615	0.7
183.08157	0.7
183.10214	1.0
184.11168	1.6
185.07953	1.5
185.11537	2.3
186.09183	1.0
187.09528	1.5
191.05324	0.7
191.08881	1.2
191.25391	0.6
192.08896	0.8
193.06473	1.0
194.06781	1.1
194.09569	1.2
195.08397	1.2
195.10005	3.7
196.08344	2.6
198.09155	4.7
199.09486	10.7
201.09187	0.8
207.07967	1.6
207.10040	0.9
208.08379	3.3
209.09352	1.3
210.06407	1.0
210.10100	0.8
211.07367	1.5
211.09346	1.2
212.07970	1.3
212.10468	2.4
213.07796	1.5
213.11044	7.2
214.08234	2.2
215.08969	1.7
216.11067	0.9
219.07681	0.6
220.08417	1.5
222.10516	0.8
223.09129	4.0
224.07915	2.0
224.10497	1.3
225.08997	1.5
225.11008	1.4
226.09421	2.9
227.10611	0.9
228.10846	2.5
229.10582	1.2
231.11986	1.6
233.10007	0.8
234.10205	1.2
235.10838	7.0
236.07858	3.4
237.11174	1.0
238.09590	1.3
239.10304	2.4
239.12524	0.6
240.10344	3.2
241.10503	11.6
242.11409	1.2
243.08617	0.8
251.10611	4.9
251.12695	1.4
252.13364	1.0
253.10529	1.4
254.12617	5.2
255.12151	5.5
256.10107	0.7
256.14056	0.7
257.09723	1.0
257.13953	1.2
258.11987	4.6
260.09286	0.8
261.09558	1.4
261.13055	2.1
264.10489	0.9
265.10397	6.4
266.12607	15.6
267.12076	3.4
269.09741	1.1
270.11884	0.9
281.10141	0.7
282.11087	0.9
282.14902	1.1
283.11584	12.3
283.15179	17.5
284.12369	1.2
285.13007	0.8
297.13193	4.6
299.15115	0.7
301.12634	15.4
301.16052	1.3
315.14145	31.1
315.17850	10.5
333.15176	100.0
333.18903	40.9
333.25299	2.1
334.16388	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	333.1333
Annotation	Coluteol
Peak:m/z	Relative Intensity
53.03951	1.3
55.01864	0.6
55.05519	1.0
56.96573	0.5
65.03941	0.6
65.68024	0.3
66.04723	0.4
67.05505	1.7
68.99792	2.5
69.03452	0.5
69.07079	0.4
77.03934	0.5
79.05505	3.7
81.03416	1.2
81.07063	0.9
83.04978	0.9
87.08106	0.7
91.05469	1.0
93.07051	0.5
94.04181	0.9
94.71912	0.3
95.04977	3.7
95.08615	0.4
97.02875	0.4
98.97585	0.4
98.97889	0.3
98.98465	2.4
103.05474	0.7
105.03403	0.4
105.04559	0.5
105.07039	0.9
107.04958	14.3
108.81051	0.4
109.02866	0.3
109.06539	2.2
110.03668	0.9
111.04464	0.6
112.05208	0.8
121.06490	0.6
122.03689	2.0
123.04440	12.5
125.02313	0.5
125.06000	5.1
127.07566	0.5
135.05536	2.3
135.08096	1.2
136.06218	0.4
137.05983	100.0
138.03003	0.4
138.06319	0.6
139.03896	0.9
140.04672	3.6
141.05444	0.9
149.05913	0.5
151.03973	0.6
151.07503	0.5
153.05475	0.4
155.07045	11.4
162.03040	0.3
163.07539	4.3
165.05492	0.9
166.11174	0.3
166.80504	0.3
167.03368	1.9
167.07057	0.6
168.04192	19.8
177.05453	3.2
183.06540	92.1
184.06934	0.7
197.07973	0.7
209.08119	2.2
209.12979	0.6
247.65305	0.3
263.33566	0.4
283.15067	0.4
290.68454	0.3
315.17853	1.5
333.13358	3.3
333.18857	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	333.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	1.2
59.12117	0.4
60.06635	0.4
62.87367	0.4
70.00624	1.6
70.06570	1.1
72.08146	0.5
79.05492	0.6
84.04510	0.5
84.08135	0.7
85.02852	0.4
89.79544	0.4
90.15058	0.4
91.05461	1.5
98.20776	0.4
98.53064	0.4
98.97602	0.7
98.98463	1.8
110.07178	0.7
110.64531	0.4
119.04932	1.3
120.05289	0.8
123.05534	1.1
127.03869	0.5
135.04434	0.7
136.04674	0.4
136.06189	0.7
137.05957	0.7
142.86487	0.5
147.04477	0.4
149.05991	5.0
150.06339	5.6
155.08557	0.5
165.07007	0.9
166.07384	0.8
168.08961	1.0
173.06026	0.5
177.07281	0.6
182.06923	0.5
183.08107	0.5
183.10118	0.5
194.06831	1.2
196.08383	1.4
197.11574	1.0
200.07820	0.4
206.09535	0.6
207.09955	1.6
208.08345	0.6
211.07419	0.6
211.09447	0.5
212.08041	0.5
213.07689	2.0
214.08206	4.5
215.09053	0.7
224.07870	0.9
224.10614	0.4
225.07318	0.5
225.11110	0.8
226.09169	0.9
227.08942	2.1
229.08621	0.6
235.09532	1.2
238.08861	0.6
239.09035	1.7
240.09695	2.5
241.10626	2.8
241.12743	0.4
243.08522	0.5
253.10623	1.5
254.11670	1.1
255.12128	9.5
257.10016	1.1
264.10095	0.9
265.10532	13.9
267.11954	1.2
276.04041	0.4
282.11118	0.9
283.11591	20.0
283.14124	0.9
284.12073	0.7
301.12488	2.4
302.08743	0.5
315.14191	29.3
317.11102	1.3
318.11810	1.4
333.15219	100.0
334.16254	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	332.1858
Annotation	Erythratidine
Peak:m/z	Relative Intensity
57.97687	0.4
58.06595	0.9
59.04982	0.4
61.40179	0.4
68.59875	0.4
69.82298	1.5
69.82713	1.0
71.04969	0.5
81.07047	0.6
85.06551	0.5
91.05475	1.1
94.06574	0.5
102.60025	0.5
118.06521	0.7
126.22934	0.4
129.24101	0.4
130.06512	0.4
149.05959	1.3
150.06749	0.6
151.07549	1.7
165.07027	0.9
165.09132	2.2
173.12897	1.5
175.07579	0.4
188.08333	0.8
189.09068	1.4
190.08643	0.9
192.10164	0.9
195.08076	1.8
196.08948	0.6
197.09634	0.8
199.09933	1.0
200.10704	0.7
201.09100	1.8
201.12326	0.6
202.09909	0.5
203.10677	1.0
204.07948	0.5
204.10161	0.8
207.08089	0.6
208.08858	0.5
209.09593	0.8
211.06123	0.6
212.59232	0.4
213.07706	0.8
214.08600	1.2
215.10782	1.4
216.10139	0.5
217.12213	0.9
219.08034	0.4
222.10355	1.5
223.07536	1.2
223.11172	0.5
224.08350	0.8
224.10464	0.5
225.09181	1.6
225.11311	0.6
226.08368	0.8
227.10710	1.5
228.09946	0.6
229.12363	1.0
230.11777	2.2
232.29309	0.5
234.10374	0.8
235.07626	1.0
236.10661	1.0
238.09813	1.6
238.12088	0.8
239.10880	2.3
239.12854	0.4
240.11690	0.5
241.12383	0.8
242.08133	0.6
242.11832	2.3
243.13828	0.7
244.13344	0.5
245.11787	1.1
250.10040	1.0
250.12379	1.0
251.13124	2.7
252.10178	1.1
253.12370	3.4
254.11761	1.2
256.09659	0.4
256.10791	0.4
256.13278	1.3
257.11688	1.2
264.10220	2.0
265.12106	1.3
266.11752	2.2
267.12607	1.2
270.14905	0.6
271.13177	1.4
282.11279	3.5
282.14859	4.9
283.12085	0.9
284.12811	1.9
285.14679	0.6
296.12836	2.8
298.14142	0.4
300.12509	0.8
300.15903	5.7
314.13821	13.7
314.17505	6.8
316.15198	0.5
318.08640	0.5
332.14850	21.0
332.18536	100.0
333.18909	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.222
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
59.38649	0.5
68.05035	0.4
70.51747	0.6
70.85389	0.9
72.45247	0.4
80.05027	2.8
81.07040	1.3
91.05479	16.8
93.07062	0.6
95.08614	0.8
96.08116	0.9
98.09735	0.7
105.26172	0.5
109.06520	0.9
110.09700	1.8
119.04947	12.6
121.08869	0.7
122.09690	0.7
123.04461	0.6
123.10484	0.7
135.11710	0.6
136.11189	3.0
137.05980	55.7
150.12796	2.2
152.14343	30.1
164.14355	1.7
178.08633	0.9
179.08922	0.6
190.08621	0.7
196.16975	1.7
216.10220	3.4
234.14825	0.7
244.13469	0.7
258.14896	1.2
288.19583	91.0
289.19824	0.8
314.17432	0.9
314.20749	0.6
332.22189	100.0
333.22589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93416	0.8
62.23523	0.9
63.49814	0.8
67.54216	0.8
69.03432	0.9
70.06528	3.7
70.06876	1.2
91.05499	1.6
104.10720	2.0
108.08130	1.0
112.45667	0.9
115.05434	1.1
117.05777	1.6
118.06558	1.0
130.06528	12.0
132.08113	2.1
134.06003	4.0
140.85593	0.9
144.08127	1.9
146.06108	0.8
152.06062	1.1
152.07126	8.3
154.06549	2.5
155.07266	1.4
155.08534	1.3
156.08130	3.6
157.08876	2.0
165.07013	2.0
166.07889	1.5
167.07323	8.0
167.08611	3.3
168.08095	26.5
169.08902	2.8
170.05998	1.2
170.08163	5.3
170.09685	7.3
172.07591	2.2
178.07765	1.5
179.08551	2.9
180.08127	5.2
181.08861	7.6
182.09671	4.7
183.10469	1.9
184.07603	3.8
184.11238	10.1
185.08435	2.4
185.11981	4.2
186.09193	1.2
187.69122	0.9
191.07286	1.0
192.08038	1.4
193.08994	1.2
194.09650	12.8
195.08125	2.4
195.10461	2.7
196.07597	5.5
196.11201	14.5
197.08401	3.5
198.09181	7.4
199.09959	3.0
199.17712	0.8
200.07053	1.1
200.10721	33.5
201.65430	0.9
204.08128	2.9
206.09648	4.5
207.06822	0.9
208.07594	1.8
209.08337	5.5
210.09142	6.5
211.09926	6.9
212.07260	1.6
212.10701	26.2
213.11516	6.3
222.07054	1.2
222.09126	17.9
222.11169	1.3
223.09927	4.3
224.07249	1.1
224.10709	27.4
224.12817	1.6
225.11455	1.9
226.08717	4.7
226.12244	5.0
228.13939	1.6
238.08768	3.9
239.09477	3.0
240.10226	18.8
241.10982	24.6
244.13388	2.2
250.08650	2.0
254.08170	1.2
254.08670	1.3
254.11757	20.6
256.13345	19.0
256.15842	1.3
268.09695	21.0
269.10425	6.1
272.12778	5.4
300.12317	100.0
301.12589	1.0
308.43823	0.9
332.14963	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	332.1853
Annotation	Erythratidine
Peak:m/z	Relative Intensity
55.05479	0.4
57.19350	0.3
62.97956	0.4
70.02663	1.4
79.05428	0.3
85.06490	1.4
91.05436	0.3
120.31683	0.3
135.56517	0.3
151.07520	0.5
152.89084	0.4
165.09079	0.6
166.85934	0.3
174.53499	0.4
183.08018	0.3
186.09137	0.8
188.08340	0.5
189.09093	0.6
195.08188	0.4
200.10817	0.5
201.09106	0.6
208.11241	0.5
212.10635	0.4
213.07712	0.7
214.08588	2.9
215.09140	0.5
215.10954	0.3
217.59317	0.3
222.10353	1.0
223.09723	0.4
224.08574	0.4
224.10728	1.0
225.09184	0.5
226.08633	0.8
226.12218	0.9
227.10651	0.6
228.10150	2.8
229.10925	2.9
230.11798	2.1
231.12595	0.6
236.10736	2.5
237.11475	0.5
238.09790	1.1
238.12239	1.1
239.10724	0.7
240.09952	1.8
241.10951	0.6
242.11763	5.7
243.13992	0.3
244.13309	0.9
250.09908	0.3
250.12285	0.9
251.13087	2.2
252.10173	1.1
253.12308	0.7
253.14737	0.8
254.11925	0.8
255.10194	0.4
255.12520	0.9
256.13376	2.6
266.11743	3.4
267.12506	1.7
268.13318	5.8
269.14023	0.9
270.14920	4.4
280.13254	0.4
282.14886	12.7
282.18039	0.6
283.15680	4.6
284.12817	5.7
284.16403	1.5
285.13690	1.2
298.14380	13.0
299.15143	4.7
300.15894	4.3
314.17496	81.4
316.15625	0.4
321.50061	0.3
332.18561	100.0
333.19150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1343
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
55.01866	0.7
56.96574	1.2
57.03433	1.2
58.06597	0.6
59.43121	0.5
61.02928	2.5
65.03907	0.5
69.03431	2.7
69.50177	0.5
70.90649	1.1
73.02921	1.2
80.57986	0.4
81.03404	0.9
85.02910	4.2
87.04453	0.6
91.05506	0.5
96.08129	1.0
97.02898	2.0
98.97592	0.9
103.47823	0.6
104.10761	0.8
106.06562	1.5
108.08123	19.3
109.02885	1.3
110.97635	0.6
119.01846	0.8
121.06493	0.5
123.04416	1.3
123.06848	1.1
124.07576	5.8
127.03928	0.8
130.06532	2.0
134.06020	36.0
136.07529	2.5
137.05992	2.0
138.06354	1.5
142.71996	0.5
150.05479	1.4
152.07071	100.0
153.05486	0.6
154.08636	0.9
161.05568	0.5
167.07188	0.9
168.08093	2.4
170.08131	70.3
180.08109	0.8
181.08859	0.6
181.10460	0.5
182.09666	0.5
184.11261	0.9
185.11975	0.8
194.09666	1.0
196.07481	0.6
196.11201	1.5
197.08386	0.6
198.09091	1.4
200.10699	3.8
206.09518	0.6
211.09909	0.8
212.10680	3.3
213.05162	0.9
213.11494	0.8
222.09171	1.1
224.10704	2.8
226.08694	0.7
226.12270	0.8
237.02657	0.7
240.10095	2.6
241.10960	3.3
242.07738	0.5
254.11783	2.2
256.13297	2.2
268.09659	2.2
269.10428	0.8
272.12872	1.0
277.78699	0.5
300.12311	13.1
314.12350	7.8
314.16425	0.6
314.17288	0.5
321.10431	0.6
332.13391	41.7
339.23499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
57.03439	9.1
58.06574	5.9
61.02934	10.0
69.03440	18.2
71.05773	2.4
71.06089	3.7
73.02917	2.8
75.28092	1.9
79.31281	2.0
81.03407	8.1
85.02908	100.0
86.09696	5.3
87.04444	2.0
91.03952	4.5
97.02895	26.2
98.98426	2.5
103.03930	2.7
107.04963	31.4
109.02880	7.4
114.27982	2.4
119.04216	1.9
123.04450	3.6
123.05508	2.8
127.03917	20.9
135.04420	4.4
136.06210	2.7
137.05972	2.5
145.04965	38.7
148.52934	1.7
153.05502	14.7
163.06004	8.3
167.73979	2.0
170.08136	8.2
173.05949	2.9
180.08665	18.9
219.06474	7.2
279.08661	2.1
332.14648	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	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77435	1.3
55.05507	11.3
56.56946	1.3
57.03428	4.2
57.07079	100.0
67.05505	25.0
69.07070	18.8
70.06586	2.4
70.15079	3.1
70.15485	3.3
71.08635	68.7
75.04475	3.3
79.88280	1.5
81.07059	34.8
83.08621	28.1
83.09106	2.0
85.10181	38.5
88.07638	4.6
89.06041	2.0
89.07947	1.8
93.07016	1.9
95.08608	52.0
97.10174	10.8
98.09082	1.4
98.98470	61.4
99.11800	1.8
100.98895	2.2
105.03931	1.4
106.08655	2.6
109.10159	26.4
111.11726	3.8
113.13337	1.8
123.11705	10.9
125.13297	3.4
131.65694	1.6
137.06021	1.7
137.13284	7.1
138.06310	1.9
143.04926	5.7
144.05298	4.5
151.07559	8.7
151.14824	2.8
152.07890	8.8
163.06331	2.9
164.06721	2.6
174.99191	3.3
175.07507	3.0
176.07922	4.8
176.98985	5.7
178.08630	29.2
178.10078	2.0
179.08978	28.2
221.22600	4.1
239.23709	27.5
257.24753	7.3
313.27365	77.1
313.32837	3.1
314.14639	3.4
316.06067	1.5
331.08093	3.2
331.17270	17.0
331.30280	2.6
331.34036	36.0
332.18451	2.8
349.16354	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1176
Annotation	Colutequinone
Peak:m/z	Relative Intensity
53.03941	0.5
55.01872	0.6
57.22421	0.2
59.20771	0.2
65.03938	0.4
67.05505	3.9
68.99794	0.4
70.01369	0.9
71.67637	0.2
81.71194	0.2
83.08573	0.2
91.05494	0.5
95.04974	5.8
98.98468	1.6
107.04963	0.4
119.04929	0.2
121.06512	0.2
123.04430	100.0
124.04762	0.4
132.46130	0.2
133.06503	0.2
135.04462	0.3
135.58707	0.2
137.05977	0.3
147.04408	6.2
147.56430	0.2
152.04703	0.7
154.06268	0.3
163.03897	0.7
167.03441	0.3
168.04253	0.6
176.07730	0.2
178.06274	0.6
178.08682	0.7
179.08948	0.6
182.05763	4.5
183.06584	1.2
191.03305	0.4
197.08101	7.6
199.03976	0.3
206.05779	0.5
209.08040	1.2
221.08125	0.4
241.04948	0.2
267.06546	0.3
285.07526	0.7
299.09164	0.6
300.09885	0.7
301.07306	0.3
323.31903	0.2
331.11746	9.8
331.17438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36190	0.5
55.01873	1.6
55.05513	12.8
58.06604	1.3
67.05513	4.9
69.03439	1.3
69.07071	4.1
71.08617	1.4
71.26521	1.3
72.08153	0.5
78.89004	0.5
79.05495	3.8
80.52292	0.5
81.07059	4.7
81.89130	0.5
83.04964	1.1
83.08623	8.7
91.05475	2.8
91.58725	0.6
91.79882	0.5
92.08965	0.7
93.07047	3.1
95.04952	0.9
95.08618	1.1
97.10175	17.9
98.98471	27.9
99.08076	1.1
105.07040	1.1
107.04958	1.2
107.08588	6.4
109.06484	0.8
109.10147	1.1
111.08096	0.9
115.05460	5.5
116.99529	0.7
117.07056	1.1
119.04961	0.6
119.08636	0.6
125.09633	16.4
126.12786	1.0
135.08081	1.0
136.05136	1.2
137.05971	4.9
143.04930	17.1
143.10674	0.7
147.11711	0.9
151.07553	27.0
151.11111	0.7
153.09123	1.4
160.05220	1.5
161.13268	1.0
163.06294	9.6
168.64952	0.6
169.06392	0.8
171.10168	3.8
174.99239	1.7
175.07553	11.6
175.99637	0.7
176.98950	1.6
177.07881	3.4
177.58011	2.6
178.08643	100.0
179.08875	1.2
189.09361	1.2
189.11217	28.8
192.10216	5.0
195.08087	0.7
222.10480	1.0
223.07552	0.6
238.09955	0.7
249.09050	0.9
251.07338	0.6
253.12221	1.8
253.62225	1.2
264.10175	0.7
267.10196	1.1
269.07938	0.8
269.11615	1.7
270.12469	1.0
277.21661	14.7
281.11658	2.6
282.12451	1.8
284.10098	0.6
295.22653	4.7
312.12170	0.8
312.57169	0.6
313.14313	6.9
330.13425	3.5
330.16977	41.0
330.29898	0.8
331.16302	1.1
349.16855	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
54.42732	0.6
55.01862	1.9
55.05513	8.3
57.03436	1.7
57.07068	2.8
67.05511	10.9
67.05840	1.4
69.03420	1.4
69.07070	6.4
71.05001	0.9
71.08627	2.2
79.05502	8.9
81.03373	0.8
81.07062	12.6
81.49729	0.7
83.04980	4.4
83.08611	3.0
85.06529	0.8
87.04472	1.1
91.05469	6.3
93.07050	12.6
95.04978	1.7
95.08609	9.0
97.06526	2.8
97.10172	2.5
98.98476	18.1
98.99119	1.1
99.08097	2.5
100.11260	0.8
105.07031	4.4
107.04994	1.7
107.08629	4.4
107.09258	1.0
109.06525	1.8
109.10152	2.3
111.08085	1.5
115.05460	5.0
117.07002	1.8
119.04948	1.3
119.08596	3.2
121.10142	3.0
123.08086	1.0
123.11729	0.9
125.09639	2.0
129.07018	1.5
129.58675	0.7
130.05043	1.1
131.08586	1.9
133.10153	4.1
135.08032	0.9
135.11710	3.8
136.05183	1.1
137.05978	5.5
139.11183	5.8
143.04930	20.0
147.08044	1.0
147.11681	2.3
149.13234	3.1
151.07549	24.9
151.11191	2.0
153.09097	1.0
159.11707	1.7
160.05197	1.4
161.13264	1.4
163.06293	9.3
163.11209	1.4
165.09134	1.0
165.12744	1.0
173.11794	1.7
175.07553	12.7
175.11230	1.2
175.14809	1.0
176.98914	1.7
177.07867	2.8
177.12646	1.1
177.58043	2.7
178.08641	100.0
179.08803	1.1
179.14265	0.7
189.09079	0.9
189.11186	2.1
192.10201	5.6
193.12291	1.7
195.13812	8.5
222.10461	1.0
223.07404	1.0
239.10712	0.9
250.09924	1.2
253.12254	1.1
259.20547	1.4
266.11771	0.9
267.10104	0.9
269.11725	1.2
277.21646	10.7
281.11609	1.1
282.12436	0.9
295.22601	5.8
313.14383	8.0
330.13419	4.4
330.16992	36.6
330.30011	1.9
330.33545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1699
Annotation	Crassifolazonine
Peak:m/z	Relative Intensity
50.55883	0.5
52.87793	0.6
64.91046	0.6
69.82433	3.2
73.72417	0.5
82.81776	0.6
91.05470	0.9
107.04962	1.9
115.05447	5.6
118.53404	0.6
119.04912	0.7
136.05209	1.3
137.05980	1.7
143.04926	18.4
150.06642	0.8
151.07547	28.8
156.46898	0.5
158.07169	0.6
160.05247	1.6
161.05995	0.6
163.06290	9.3
165.06949	0.8
165.09100	1.3
175.07558	13.1
178.08643	100.0
179.08571	1.1
189.09070	0.6
191.08524	1.6
195.08051	3.2
196.08884	0.7
200.33102	0.5
203.08601	0.6
206.09731	0.9
207.08073	2.2
209.06192	0.8
209.09750	4.4
210.06848	0.8
210.10429	1.8
211.07591	2.0
212.85875	0.6
218.09517	0.7
219.08093	1.1
221.09586	3.0
222.10353	2.6
223.07547	2.5
224.08429	1.4
225.09145	1.9
226.09961	1.2
235.07643	2.7
236.10765	3.8
237.09076	2.6
238.09927	7.1
239.07104	0.8
239.10669	2.0
240.11620	2.6
240.13715	0.6
241.08577	0.7
241.12247	1.6
244.90370	0.6
246.09180	1.7
247.09958	0.9
248.10751	0.9
249.09106	1.4
249.11432	5.4
250.10109	3.9
250.12276	1.2
251.07025	1.2
251.10855	0.9
253.08563	0.7
253.12254	4.3
254.09334	2.5
255.10239	4.2
264.10165	4.8
265.10962	1.9
266.09222	1.2
266.11765	1.6
267.10117	4.2
267.12561	0.8
269.08499	1.1
269.11700	9.0
270.12518	7.5
270.15088	1.2
271.09576	1.5
280.13409	3.2
281.11703	6.3
281.14227	0.8
282.12326	4.7
282.14975	2.2
282.34177	0.6
283.09744	1.8
284.10425	2.3
286.11972	2.4
298.11871	2.0
298.14468	1.6
300.12051	0.6
301.14362	1.5
313.14343	7.7
330.17001	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1701
Annotation	3-Epischelhammerine
Peak:m/z	Relative Intensity
51.07257	0.3
58.06585	1.6
66.40202	0.3
70.73444	1.1
72.51717	0.4
73.77261	0.3
110.93607	0.4
115.05433	0.6
137.06010	2.4
143.04930	1.0
165.09198	0.4
167.08687	0.4
175.07559	1.0
176.06975	0.5
179.08595	1.7
181.06500	0.8
186.09271	0.6
192.10204	4.5
195.08076	1.3
196.08914	0.4
198.09196	0.4
207.07980	2.0
211.07568	0.8
212.10641	0.6
213.09212	0.5
214.08589	0.7
215.10716	0.4
222.08974	0.5
223.07549	1.6
224.08379	0.7
224.10628	0.5
225.09215	0.6
225.11459	0.4
226.08423	0.6
226.12329	0.4
229.10947	0.6
230.09604	0.4
230.96666	0.4
235.07530	2.9
236.10738	1.6
237.09271	0.6
238.09883	1.9
238.12341	1.0
239.10670	1.3
239.12900	0.6
240.10229	2.7
241.08633	0.6
242.11734	2.3
244.13319	0.5
249.09174	0.6
249.11530	1.2
251.09312	0.5
252.10191	1.1
254.09355	1.9
254.11829	2.3
255.06807	0.4
255.10176	1.7
255.12556	2.1
256.13156	0.4
264.10245	5.2
265.11023	1.5
266.11810	1.6
267.10156	1.3
267.12631	1.5
268.13403	1.3
269.07932	0.5
269.11606	2.3
269.14203	0.6
270.12402	0.9
270.14941	5.6
280.13333	9.3
281.11636	0.9
282.11304	2.5
282.14691	2.3
284.10312	0.6
297.13620	1.0
298.14426	18.2
299.12720	0.6
310.49921	0.5
312.15964	6.2
315.14630	0.8
323.63214	0.4
330.17014	100.0
331.17255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.17
Annotation	Dehassiline
Peak:m/z	Relative Intensity
50.93271	0.5
58.06595	0.6
59.02492	0.5
66.61231	0.5
70.02637	2.6
91.05489	3.5
94.04176	1.3
95.04990	0.6
103.05465	0.8
107.04985	0.6
115.05464	11.5
119.04938	2.0
121.22822	0.5
122.03660	3.2
123.08025	0.7
137.05989	52.1
143.04936	20.0
145.06499	0.6
149.06013	1.3
151.07547	7.3
156.98129	0.5
160.05209	2.2
160.07591	0.8
163.07550	1.2
167.08595	1.7
175.07555	18.2
177.07872	12.4
179.08540	2.2
181.10092	0.7
192.10210	97.5
195.08162	3.4
196.08835	0.7
206.07303	0.7
207.08076	5.3
209.09657	0.7
212.08536	0.8
223.07623	1.3
224.08374	1.0
227.10658	3.0
235.07573	2.6
237.09109	0.9
238.09909	1.5
238.12259	0.8
239.07100	1.1
239.10809	3.1
241.08595	0.7
251.06906	0.8
254.11813	1.3
255.10110	2.2
255.12587	1.0
264.10281	2.5
265.11197	0.6
267.10205	5.2
269.07977	1.0
269.11746	1.9
270.14972	1.2
280.13327	3.4
281.11661	0.9
282.11633	0.7
284.10486	0.8
287.12726	1.7
298.14444	4.8
299.12823	8.4
310.26016	0.6
312.15857	1.8
322.80035	0.5
330.17017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.17
Annotation	3-Epischelhammerine
Peak:m/z	Relative Intensity
58.06600	2.6
62.56479	0.4
70.32131	1.5
115.05424	0.8
123.04436	1.2
137.05957	3.8
143.04907	1.7
151.07520	0.7
165.09100	0.8
175.07510	1.5
177.07765	0.7
178.04077	0.4
178.08856	0.5
179.08583	1.7
181.06435	0.5
192.10193	6.5
195.08107	1.0
202.52466	0.4
207.08089	2.2
207.09933	0.4
211.07541	0.9
212.10660	1.3
214.08557	0.5
220.11053	0.4
223.07581	1.6
223.09601	0.6
224.08475	0.8
224.10727	1.5
225.09344	0.6
226.08459	0.6
226.12189	0.6
227.07028	0.6
228.10326	0.5
229.11009	1.6
230.11748	0.5
230.42116	0.4
235.07603	3.5
235.09827	0.8
236.10655	3.0
237.09067	1.2
237.11386	0.6
238.09872	2.7
238.12292	1.8
239.10664	1.6
239.12988	0.9
240.10187	4.8
241.08635	0.9
242.11763	4.0
248.10796	0.5
249.11531	1.7
250.08662	0.4
251.09497	0.5
252.10197	1.4
253.08553	0.7
254.09332	2.2
254.11824	4.9
255.10094	1.8
255.12576	4.0
256.13275	0.6
257.07996	0.6
264.10220	9.6
265.11038	2.3
266.11792	2.7
267.10101	1.5
267.12585	1.8
268.13297	1.4
269.08035	0.5
269.11600	3.0
269.14246	1.0
270.09927	0.3
270.12469	1.3
270.14941	10.3
280.13333	17.7
281.11624	0.8
281.14435	0.5
282.11575	3.3
282.14713	3.5
283.12103	0.7
284.10492	0.5
286.12079	0.7
287.12686	0.4
295.58090	0.4
296.12820	0.8
297.13687	0.9
298.14413	23.6
299.12637	1.0
312.15942	8.4
315.14713	0.7
330.17001	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1701
Annotation	3-Epischelhammerine
Peak:m/z	Relative Intensity
50.78682	0.5
58.06607	6.8
58.41110	0.5
70.92632	1.1
70.92961	0.9
98.98484	0.6
112.11279	0.6
122.02225	0.6
122.06020	0.6
137.05968	2.6
138.05498	1.1
139.06284	1.5
143.04887	1.4
151.07518	0.7
152.04645	0.8
152.07143	2.8
159.04327	0.6
161.05992	1.5
162.05524	3.3
163.06303	1.7
165.05507	0.6
167.07051	2.2
176.07072	2.3
178.06287	0.6
178.08626	0.8
181.08585	0.6
184.05937	0.5
192.10175	0.7
198.09148	1.2
208.11154	0.9
210.09207	0.8
211.09926	0.7
212.10782	2.3
219.10466	0.9
222.09250	0.8
223.09929	1.2
224.10727	2.3
225.11308	0.7
226.08618	1.4
226.12297	1.5
227.09451	1.1
229.10915	0.8
235.09996	0.7
236.10728	5.8
237.11455	1.4
238.12268	3.7
239.13068	1.9
240.07892	0.8
240.10223	9.7
241.11166	0.7
242.11786	7.1
248.10791	1.4
249.11530	2.5
250.08653	1.1
250.12247	1.1
251.09525	1.0
252.10265	3.3
254.08206	1.6
254.11795	11.1
255.12537	8.3
264.10193	18.6
265.11047	5.1
266.11829	3.3
267.12595	3.9
268.13339	2.5
269.10504	2.4
269.14120	1.6
270.14908	19.0
280.13348	31.3
281.13910	0.8
282.07712	1.5
282.11276	4.7
282.14899	6.2
284.52042	0.8
296.12689	1.4
297.13565	2.1
298.11304	1.5
298.14398	38.0
299.07907	10.1
300.08688	11.7
312.12372	1.2
312.15958	14.2
314.10248	40.7
315.11041	34.2
330.13339	100.0
330.17041	55.5
331.13678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.17
Annotation	Erythrartine
Peak:m/z	Relative Intensity
56.35458	0.5
58.06599	5.2
59.05116	0.5
61.07927	0.5
69.20005	0.6
69.20581	5.6
87.82813	0.5
98.21544	1.0
115.05445	1.5
137.05969	5.4
143.04927	2.4
148.25104	0.6
151.07500	0.8
151.82947	0.6
161.05963	2.3
175.07536	1.2
189.17250	0.6
192.10207	2.6
193.10927	0.5
198.09167	2.4
200.62088	0.6
206.09712	1.1
207.08049	0.7
208.07649	0.7
208.11256	1.5
209.08293	0.8
209.11945	0.5
210.09163	1.2
211.09978	1.9
212.10716	3.2
214.08586	1.2
219.10435	2.3
222.09082	0.9
223.09949	1.8
224.10600	3.3
225.11435	1.0
226.08640	3.6
226.12286	1.5
227.09477	1.9
229.10954	1.2
234.09074	0.8
235.09995	1.5
236.10699	11.2
237.11496	1.6
238.08743	0.7
238.12270	4.7
239.09326	0.6
239.13016	3.8
240.10211	14.5
240.12608	0.8
241.10988	0.9
242.11771	12.5
248.10686	1.9
249.11491	4.4
250.08601	1.3
250.12302	1.3
251.09396	3.3
251.13109	1.0
252.10257	4.4
253.10992	1.5
254.08020	0.9
254.08638	0.8
254.11769	16.0
255.12572	13.4
256.13403	0.9
264.10208	38.6
265.10962	9.5
266.11743	7.2
267.09851	0.7
267.12531	7.8
268.13263	7.0
269.10400	2.9
269.14145	3.4
270.14896	38.0
280.13324	59.4
281.14038	1.8
282.11295	9.9
282.14896	12.9
283.11975	1.5
285.11212	0.9
296.12863	3.6
297.13495	3.3
298.14389	68.5
312.15924	27.9
315.11005	0.6
316.87204	0.5
330.17010	100.0
333.52011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.17
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26343	0.2
56.07322	0.2
56.39025	0.3
69.82101	0.4
69.82520	0.9
72.86208	0.2
77.01908	0.2
78.01036	0.2
82.47367	0.2
90.04713	0.2
91.05456	0.4
107.04932	0.7
115.05460	5.4
119.04928	0.2
121.06499	0.2
135.04430	0.3
136.05197	0.8
137.05978	1.4
143.04933	5.9
150.06812	0.3
151.07552	12.9
160.05211	0.8
163.06293	11.4
165.09117	1.0
175.07570	4.8
178.08636	100.0
179.08832	0.2
189.09113	0.6
192.10222	0.5
221.09566	0.3
235.07492	0.2
250.09886	0.5
253.12215	0.6
258.18405	0.3
267.10199	0.6
269.11819	0.4
281.11798	0.8
282.12436	0.5
283.09238	0.3
298.11978	0.3
313.14331	2.1
330.17032	15.2
330.20007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1337
Annotation	Melicopicine
Peak:m/z	Relative Intensity
50.51140	0.3
51.94041	0.3
55.95786	0.4
58.06342	0.7
58.06600	7.5
64.10977	0.4
68.27536	0.3
69.22453	3.2
69.22862	0.7
69.32354	0.3
69.63842	0.4
73.63199	0.4
86.63988	0.3
89.68439	0.3
91.05482	0.6
91.26250	0.3
96.63831	0.4
98.98477	0.6
115.05499	0.7
118.01665	0.3
122.03641	0.4
123.04440	0.6
124.03935	0.5
131.04868	0.5
137.05989	3.0
138.05516	1.2
139.06303	1.4
143.04912	1.3
151.07515	1.0
152.04681	1.0
152.07077	2.6
159.04379	0.6
161.06000	1.0
162.05510	3.7
163.06284	1.4
164.06995	0.4
165.05438	0.8
166.06285	0.7
167.07019	1.8
175.07562	0.4
176.07100	1.9
178.08664	1.0
181.08699	0.9
190.08519	0.4
192.10201	0.9
198.09166	0.8
208.11198	0.8
209.08372	0.5
212.10725	1.3
214.08557	0.5
219.10419	0.5
224.10677	1.5
225.11407	0.5
226.08649	1.1
226.12279	0.9
227.09325	0.7
229.10934	0.6
235.09941	0.6
236.10732	4.0
237.11516	0.6
238.12221	2.4
239.13087	1.5
240.10167	4.5
241.10925	0.4
242.11757	4.8
248.10742	0.9
249.11563	1.2
250.08694	0.5
251.09412	1.0
252.10265	2.3
254.08209	1.1
254.11746	6.4
255.12508	5.9
264.06161	0.4
264.07043	0.5
264.10199	12.9
265.10989	3.5
266.11761	3.2
267.12634	3.1
268.13229	2.1
269.10529	1.2
269.14108	1.7
270.14868	13.9
280.13318	22.8
281.13998	1.1
282.07645	2.3
282.11276	3.4
282.14871	5.7
283.08398	0.6
283.11868	0.4
296.09390	0.4
296.12753	1.1
297.10211	0.6
297.13586	1.0
298.11060	1.1
298.14371	26.3
299.07846	8.8
299.15027	0.6
300.08618	10.4
312.12616	0.5
312.15915	11.4
314.10208	36.2
315.11002	35.3
330.13339	100.0
330.17032	45.6
331.13647	1.1
331.17120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24647	0.1
65.03928	0.2
66.04721	0.2
67.05489	0.1
69.75407	0.2
69.75794	0.2
71.20841	0.1
77.03914	0.1
79.05507	0.2
80.06277	0.2
88.83337	0.1
89.03941	0.1
89.74287	0.1
90.04688	0.1
91.05482	1.2
94.04235	0.1
95.04981	0.2
97.49563	0.1
100.01649	0.1
103.05468	0.1
105.07024	0.2
106.04129	0.1
107.04958	1.8
108.05731	0.8
109.06498	0.2
115.05461	6.1
117.07019	0.2
118.04138	0.2
119.04942	0.5
119.08583	0.1
121.06497	0.3
122.03658	0.1
124.05212	0.2
128.06236	0.1
129.07022	0.2
131.04939	0.2
132.05742	0.2
133.06563	0.1
134.06018	0.1
134.07323	0.1
135.04451	0.6
135.06805	0.3
136.05196	1.4
137.05983	2.5
138.06769	0.1
139.07584	0.1
143.04930	20.6
144.05717	0.4
145.06493	0.2
146.05994	0.2
147.06848	0.1
147.08035	0.2
150.06775	0.5
151.07550	28.3
158.07275	0.3
159.04439	0.2
160.05209	2.0
160.07626	0.2
161.05954	0.3
162.05536	0.1
163.06296	11.4
165.07013	0.2
165.09140	0.8
174.06783	0.6
175.07564	12.4
178.08640	100.0
179.08719	0.3
188.08284	0.1
189.07234	0.2
189.09102	1.1
189.77264	0.1
191.08549	0.1
192.10275	0.5
193.10118	0.1
195.08026	0.3
207.08110	0.4
209.09656	0.3
219.08127	0.2
221.09535	0.5
222.10452	0.8
223.07504	0.4
225.09119	0.1
235.07639	0.3
237.09068	0.3
238.09927	0.3
239.10692	0.2
249.09129	0.5
250.09825	0.8
251.07088	0.2
253.12256	0.9
255.10184	0.1
266.09335	0.3
267.10172	1.0
280.13351	0.2
281.11719	1.4
282.12463	0.9
283.09689	0.5
283.12338	0.1
298.11942	0.3
298.14719	0.2
313.14355	6.7
330.17007	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.5
53.03936	1.6
55.01878	0.8
56.05019	0.7
57.03415	0.9
58.06603	49.0
69.03432	8.0
69.07076	0.5
69.55734	3.5
70.06583	2.3
71.04997	1.2
71.07387	0.8
72.08160	3.0
73.02914	1.6
78.03030	0.8
78.03457	13.9
80.05010	2.0
81.03423	15.3
84.04534	0.5
85.02426	0.8
85.02906	10.0
86.09728	0.7
91.05447	0.7
96.04492	1.8
97.02898	3.8
98.98471	7.9
99.04453	2.2
106.02922	60.6
109.02217	0.9
109.02894	9.7
115.05457	1.1
116.07077	0.9
117.81342	0.6
119.04925	0.6
123.04449	2.5
124.03959	100.0
125.04284	0.7
127.03926	7.0
130.42747	0.5
133.64143	0.5
137.05988	2.8
138.05510	0.6
143.04964	2.8
147.04352	0.8
150.05605	0.6
151.07542	3.4
162.05635	0.6
162.09259	0.8
163.06354	0.9
166.05028	1.0
168.06546	0.8
175.07584	1.7
178.08633	13.2
178.10091	1.0
179.08536	0.9
181.06476	0.6
187.14465	0.8
190.08643	1.2
192.10205	1.3
195.08061	0.6
196.06116	1.0
207.08055	1.2
208.05928	0.9
211.07562	0.8
213.05563	0.9
221.06027	1.2
224.08369	0.6
225.09122	0.8
232.06068	2.7
235.07635	1.1
239.07042	1.8
241.05060	0.7
241.08601	1.7
249.05452	0.7
250.07115	32.6
251.07121	0.9
252.10312	0.8
255.06514	1.1
257.08081	1.0
267.06528	1.1
267.10217	1.2
268.08160	27.2
269.08246	1.9
284.13022	0.6
285.07852	0.8
285.11020	0.9
294.06104	2.3
297.10037	1.1
298.14459	1.3
299.08047	1.0
300.08682	1.1
312.07184	1.3
312.12323	7.3
312.15765	0.8
314.10233	3.7
315.10971	4.5
315.14291	0.8
329.98471	0.7
330.08444	2.0
330.13336	48.3
330.17099	29.0
331.13870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01855	2.7
55.05518	28.4
57.03429	4.2
57.07076	1.8
58.06593	2.1
59.04984	2.0
60.38815	1.2
60.43801	1.3
65.03936	1.6
67.05511	54.3
69.03437	5.7
69.06728	1.4
69.07077	18.0
69.87092	6.9
71.04998	6.4
73.06556	1.4
76.92621	1.2
79.05500	53.0
79.05966	2.8
81.03424	9.0
81.07063	39.6
83.04999	6.6
83.08627	11.7
85.06566	2.4
91.05487	34.7
93.07056	47.6
95.04980	11.7
95.08056	2.2
95.08616	28.6
97.06544	5.3
97.10174	11.5
98.98474	100.0
105.07042	23.0
107.04940	3.2
107.08601	37.8
109.06519	3.8
109.10167	32.9
111.08087	3.7
117.07021	7.3
119.08593	22.9
121.06499	2.8
121.10159	24.7
123.08076	4.4
123.11687	3.3
125.09636	9.4
129.06987	2.6
131.08595	9.7
133.05196	2.3
133.10138	19.6
135.08078	4.8
135.11682	7.8
137.09618	16.0
139.11188	3.6
143.08595	2.5
145.10153	9.0
147.11694	9.4
148.07561	4.8
149.09621	3.8
149.13271	3.3
151.07593	2.2
153.09102	3.1
155.10698	8.1
157.10101	3.1
159.11703	6.5
161.13286	3.2
163.11230	2.4
164.07127	3.3
171.11737	4.0
172.13277	2.6
173.11787	17.7
173.13297	3.4
174.99182	7.2
175.11227	2.9
176.07068	20.0
176.98965	3.4
177.07771	1.4
177.12714	1.7
178.08646	2.4
181.12325	2.7
183.11699	2.4
187.11217	1.5
189.11218	8.1
193.12209	4.0
197.13208	2.5
207.13643	1.5
211.13293	3.3
220.13539	1.6
223.13312	3.7
232.96260	1.6
235.16965	3.3
239.17920	3.3
247.20650	1.4
257.19034	3.5
259.65308	1.4
275.20068	25.1
293.20929	5.0
300.12802	1.4
312.12192	1.5
328.15445	11.2
328.19092	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.7
55.05515	55.9
57.03430	1.9
58.06591	2.6
59.05006	1.6
67.05231	1.5
67.05511	17.3
69.03430	8.4
69.06725	2.2
69.07072	27.7
70.14095	1.4
70.14418	5.7
71.04971	1.5
79.05500	30.7
81.07066	20.8
83.04987	4.1
83.08140	2.7
83.08621	42.2
91.05483	14.3
93.07055	13.8
95.08615	9.6
97.06548	2.8
97.10175	80.8
98.21466	1.6
98.98474	40.6
105.07045	14.1
107.08602	91.9
109.06505	3.3
109.10155	3.5
111.08067	3.7
117.06999	2.5
119.08563	8.9
121.10108	5.0
123.08109	1.6
123.11696	1.9
124.11212	2.4
125.09633	72.2
131.08574	4.3
133.10110	10.0
135.08034	5.1
135.11705	2.6
137.05989	2.4
143.10663	4.0
145.10138	7.8
147.11707	8.9
148.07555	6.0
149.09605	6.1
151.07578	3.0
153.09187	7.3
154.58636	1.7
155.90215	1.7
159.11665	3.9
161.13281	4.8
162.05507	3.4
163.11127	1.9
163.14799	1.9
164.07080	19.9
166.03674	1.4
170.11708	2.3
171.10176	18.2
171.11632	2.8
172.94348	5.3
174.99211	4.6
176.07091	16.2
177.07813	3.2
179.14256	2.9
181.12270	4.2
189.11226	100.0
190.95308	4.5
197.13300	1.8
208.96487	1.8
211.07590	1.6
229.19548	1.7
232.96457	6.7
239.17947	4.1
250.97406	2.5
252.11205	1.9
257.18988	11.6
267.10068	2.0
275.20074	93.7
282.12262	1.7
293.21082	10.1
312.12399	2.6
328.15402	14.2
328.19061	29.0
328.69275	4.9
342.16956	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	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01106	3.3
53.03943	5.0
55.05515	26.0
56.96572	4.0
57.03446	4.8
58.06601	5.2
67.05508	68.3
69.03407	3.7
69.07073	48.7
70.02901	15.7
71.04980	7.3
72.59657	3.5
79.05495	44.9
81.03418	9.7
81.07063	100.0
81.59653	4.0
83.04973	13.0
83.08623	16.6
91.05481	38.2
92.23367	4.4
93.07051	54.6
94.85751	3.7
95.05002	18.7
95.08614	39.2
95.32253	3.7
97.06546	12.0
97.10179	8.1
98.09688	6.7
98.20839	7.2
98.97859	6.7
98.98475	85.2
105.07014	37.7
107.04935	5.1
107.08602	33.8
107.18900	3.7
109.06537	7.8
109.10129	14.8
111.08078	8.4
117.07019	15.6
119.08595	35.8
121.06503	5.7
121.10162	20.7
123.08063	13.1
123.11711	14.5
125.09615	5.2
128.29808	3.9
131.08582	17.2
133.10120	31.0
135.08070	6.2
135.11710	32.4
137.05957	20.5
137.09621	6.6
145.10136	14.0
147.11684	25.1
148.07567	8.0
149.09581	7.9
149.13263	15.7
149.14569	3.3
151.07588	5.0
153.09052	4.4
159.11691	15.7
161.13193	7.3
163.11180	14.2
163.14709	4.8
165.12825	6.1
171.11531	4.1
172.94337	9.2
173.13196	6.5
174.99187	9.3
176.07022	18.5
177.12669	6.3
181.12267	30.8
185.95605	5.2
186.17200	4.1
195.13770	18.6
199.13170	3.5
213.94131	3.9
214.86324	4.3
214.95345	5.1
232.96463	7.6
275.20020	47.8
284.64304	4.3
293.21164	10.7
312.12305	8.0
328.15369	26.7
328.18906	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	328.1544
Annotation	Caseamine
Peak:m/z	Relative Intensity
58.06604	1.9
69.87607	1.2
74.49726	0.2
89.06021	0.3
91.05460	0.3
95.57168	0.2
98.21465	0.3
98.98456	0.4
119.04947	0.3
135.06837	0.3
137.05992	0.3
151.07558	1.5
163.06296	11.8
176.07095	1.1
178.08640	100.0
179.08911	0.6
232.80411	0.2
234.99873	0.2
251.22339	0.2
312.12308	1.9
313.13196	1.5
328.15445	38.9
329.15598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
54.04393	2.3
55.05513	29.2
57.03432	7.8
58.06596	10.7
65.03944	2.2
67.05172	4.1
67.05506	58.6
69.03419	3.6
69.07074	19.5
69.20079	2.1
70.50008	4.7
71.04985	6.2
72.24836	2.2
73.06518	2.1
73.12965	2.1
79.05492	49.3
79.11303	2.2
81.03410	4.2
81.07057	33.4
83.04978	6.3
83.08617	18.0
87.02765	2.2
91.05490	30.1
93.06468	4.2
93.07044	52.4
95.04942	11.2
95.08612	28.4
97.06516	5.7
97.10172	21.6
98.20812	2.5
98.98470	100.0
98.99126	4.8
100.83749	2.3
105.07043	25.4
105.47146	2.2
107.08609	35.7
109.06482	3.4
109.10168	28.5
111.08079	2.6
117.07008	4.3
119.08595	20.1
121.06510	2.5
121.10138	27.7
123.11689	3.5
125.09611	17.5
131.08577	7.6
133.05209	3.6
133.10136	12.1
135.08066	3.5
135.11679	4.5
137.05960	6.3
137.09604	9.7
143.08658	2.6
145.10162	6.3
147.11655	8.4
148.07597	10.5
149.09532	3.0
151.07516	9.6
153.09102	5.8
155.10664	8.4
159.11652	5.5
161.13286	5.5
162.05470	3.6
164.07094	23.0
170.40042	2.6
171.10159	3.2
172.94331	18.5
173.11790	13.9
173.13116	3.5
174.99207	12.4
176.07088	34.9
176.98924	3.1
177.07866	2.6
178.08643	7.9
179.14265	2.7
189.11240	18.5
190.95392	9.9
192.10184	2.9
193.12201	3.0
211.13235	3.0
214.95485	5.0
232.96347	16.6
250.97531	5.6
251.26698	2.4
252.14925	7.8
257.19006	4.5
275.20093	32.2
280.94934	2.4
293.20978	3.2
296.12872	3.1
312.12320	12.1
328.11850	3.0
328.15387	51.5
328.19110	16.6
328.69321	3.9
329.06476	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	328.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
56.70282	0.3
57.03437	0.8
58.46270	0.3
61.02927	1.3
62.61601	0.4
65.73803	0.4
69.03434	4.9
69.94701	0.9
69.95104	1.4
71.04997	0.7
73.02905	0.9
75.48157	0.4
81.03406	1.7
82.29332	0.4
85.02424	0.8
85.02906	10.8
87.04461	1.1
91.03933	0.8
91.05468	1.5
93.07029	0.4
97.02898	3.6
98.20921	0.6
98.98473	1.3
99.04415	0.5
100.91322	0.4
103.05443	1.1
109.02877	1.6
119.04916	0.8
120.05163	0.5
120.08096	2.1
121.06513	8.5
123.04415	1.9
127.03929	1.9
131.04930	2.6
137.05983	15.2
145.04951	1.2
148.07574	1.6
149.05994	13.0
156.03270	0.5
163.05968	0.4
164.07057	2.0
166.08644	100.0
167.08957	0.7
208.09622	0.7
284.12973	0.5
328.13910	86.5
329.14221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1545
Annotation	(-)-Bisnorargemonine
Peak:m/z	Relative Intensity
58.06559	1.2
73.31370	0.4
83.10223	0.4
91.05442	0.4
98.98472	6.5
107.72874	0.4
137.05980	2.8
137.79225	0.4
148.07545	1.4
151.07512	1.4
163.06255	0.4
174.99258	0.5
176.07080	4.7
177.07814	1.3
178.08636	2.7
192.10202	4.7
193.08606	1.4
209.08325	0.4
210.03682	0.4
210.09140	0.6
222.09154	5.2
223.09869	1.3
224.10666	1.7
225.08919	0.4
234.09138	1.2
235.09970	3.9
236.10689	2.4
237.11481	4.8
238.08652	2.3
242.11745	0.6
250.08707	1.5
251.09335	2.4
252.10210	20.9
253.08633	0.5
253.10982	1.6
254.09381	0.7
257.11722	0.5
264.10190	4.1
265.08649	0.4
265.11035	5.7
266.08154	3.2
267.08887	3.8
268.13342	11.1
270.11215	0.9
278.08157	1.8
280.09692	67.6
281.10471	12.7
296.12830	100.0
297.13351	0.9
310.10809	0.5
312.12363	2.0
313.13107	1.0
328.15448	60.2
329.15659	0.6
343.66333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1182
Annotation	8-Oxoerythrinine
Peak:m/z	Relative Intensity
53.03946	1.0
55.05499	1.9
56.96572	1.1
58.06603	5.8
62.08782	0.8
62.60891	0.6
66.96509	0.7
67.05502	1.4
69.07055	1.0
70.06586	0.6
70.56261	1.9
71.05009	0.8
72.08153	0.7
74.41916	0.6
76.21638	0.7
79.05504	4.0
81.07041	2.8
85.02888	0.9
88.49943	0.7
91.05479	4.6
93.07037	1.9
94.06571	1.7
95.04981	1.0
95.08611	1.4
98.97598	1.9
98.98469	37.5
105.07030	1.0
107.04924	2.5
107.08584	1.7
109.06493	1.4
116.99494	0.7
118.06536	2.2
119.04935	0.7
119.08589	1.2
121.06483	0.9
121.31448	0.7
127.36710	0.7
130.06517	0.7
132.08084	0.8
133.05225	1.9
135.04424	1.0
137.05980	6.4
146.09605	0.8
148.07587	6.3
149.13243	0.8
151.07547	4.6
153.09114	2.3
159.04437	1.6
161.04694	1.5
162.05458	0.7
163.06320	1.3
165.07002	45.7
167.07262	0.8
167.08562	1.6
169.06586	0.8
172.24524	0.7
172.94341	3.7
174.99239	3.8
175.99554	0.8
176.03506	4.4
176.07086	22.0
176.14360	5.8
177.04175	3.7
177.07835	2.7
178.08661	9.5
181.06454	1.6
181.08867	0.7
182.09631	1.4
183.08057	1.5
190.05022	1.5
190.95435	1.5
192.08220	5.6
192.10062	5.6
193.06493	48.0
195.08099	1.6
202.04974	1.7
205.06505	0.8
209.06070	2.0
210.09181	2.0
211.07631	1.6
213.04239	2.2
214.04961	4.8
219.01660	1.0
220.07507	4.4
221.05965	1.4
222.06926	0.9
223.07547	31.0
224.04861	1.2
224.07071	3.2
226.04973	5.6
226.09967	1.3
227.05765	2.5
232.96396	3.2
238.08618	2.7
239.07246	4.3
240.06480	3.6
240.10164	1.2
241.08620	1.2
248.07079	2.9
249.07820	1.0
250.06274	1.1
250.08615	10.8
251.07074	3.2
251.10866	0.7
252.00391	0.7
252.06531	5.6
252.11191	2.0
253.07437	2.2
254.09435	2.1
256.10544	0.7
260.06985	0.9
262.94055	0.8
263.05936	1.9
265.08530	1.8
266.08136	16.1
267.08890	38.5
268.09686	25.6
270.11298	0.8
277.07462	1.6
278.05237	1.5
278.08148	24.5
278.11237	1.5
279.10025	0.8
282.11469	1.4
282.18640	0.9
284.09814	0.7
284.12946	1.2
285.11240	1.9
296.09183	100.0
296.49844	0.8
297.11206	0.8
298.10672	1.8
303.71469	0.8
310.07468	1.1
310.10773	10.6
310.14142	1.1
310.17944	6.2
312.12366	8.4
313.13104	1.5
328.11789	19.6
328.15439	47.9
328.19147	12.0
329.06561	2.6
329.11719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05507	3.8
56.96555	0.6
57.03420	0.8
57.07071	3.1
67.05173	0.5
67.05505	5.9
69.03439	0.6
69.07068	6.5
69.50561	2.6
71.04974	0.4
71.08623	2.3
77.01608	0.5
79.05495	4.7
81.07060	13.3
83.04955	0.6
83.08621	4.3
85.06551	0.9
85.10168	0.8
89.06016	0.4
91.05480	3.3
93.05836	0.4
93.07049	7.2
93.45623	0.4
95.04971	0.9
95.08611	13.0
97.06552	0.5
97.10162	2.5
98.21578	0.5
98.98470	100.0
99.08090	0.5
105.07020	5.1
107.08606	6.0
109.06502	0.7
109.10157	7.5
111.08080	0.5
111.11711	1.8
116.98753	0.4
116.99519	1.2
119.08557	3.2
121.10139	4.5
123.08092	1.5
123.11694	2.8
125.09597	0.6
125.13286	0.8
133.10138	3.7
135.11700	3.8
137.05988	1.8
137.09634	1.3
137.13268	1.7
139.11197	0.8
140.01070	0.5
141.09109	0.7
143.08551	0.5
147.11685	3.6
149.13239	3.1
151.07603	0.6
151.11235	0.9
151.14867	1.0
155.10715	0.8
159.11636	0.5
161.13278	1.9
163.14827	1.9
165.12811	1.1
165.16405	1.0
174.97711	0.7
174.99232	15.0
175.14873	0.7
176.07021	2.0
177.16373	0.9
178.08688	0.5
179.14246	0.5
179.17912	0.6
189.07512	0.6
189.16423	0.6
198.08749	0.4
203.18011	0.6
208.23421	0.4
217.19466	0.9
221.15468	0.4
228.62669	0.4
232.96411	0.5
251.00008	2.9
251.10596	0.6
273.25778	6.3
279.26859	0.6
291.19757	0.6
291.26813	3.3
299.23309	0.4
309.27954	2.3
312.12201	0.6
327.14047	1.4
327.17896	1.9
327.26468	1.2
328.15436	1.6
328.18942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05301	0.6
55.05515	7.1
56.25961	0.5
56.96559	1.8
57.03441	0.8
57.06823	0.7
57.07078	7.6
67.05509	11.4
69.03411	0.7
69.06719	1.0
69.07070	12.6
69.32397	2.8
69.32826	2.7
71.04992	0.6
71.08633	4.1
79.05501	7.5
81.03414	0.9
81.07063	24.5
83.04931	0.6
83.08625	8.4
85.06554	1.1
85.10173	1.9
91.05491	5.4
93.07051	13.8
95.04982	1.1
95.08614	29.6
97.06541	1.4
97.10188	4.8
98.97579	5.1
98.98472	100.0
105.07038	8.1
107.08599	10.5
109.06530	1.0
109.10159	14.1
110.97595	0.6
111.08070	0.9
111.11716	3.1
112.99133	1.2
116.98611	1.7
116.99455	1.1
119.08598	7.0
121.10137	7.8
123.08090	2.9
123.11733	5.2
125.09650	1.2
125.13288	1.1
131.00201	1.0
133.10120	5.8
135.11707	5.4
137.06020	1.2
137.09622	3.9
137.13284	2.7
140.01102	0.8
141.09097	1.7
147.11690	8.3
149.13237	5.1
151.11211	1.8
151.14879	1.4
155.10747	2.9
158.99690	2.3
161.13271	4.3
163.14822	3.8
165.12784	2.6
165.16402	1.2
172.94415	1.3
173.01225	2.1
174.99228	13.9
175.00682	0.9
175.14839	2.5
176.07089	1.4
177.00670	0.9
177.16389	1.8
179.17979	0.7
189.16429	2.3
190.95442	1.1
191.02298	1.2
191.17952	1.3
201.00858	1.2
203.18036	2.2
217.19690	1.3
219.01822	1.5
231.21001	0.8
232.96484	1.2
237.02893	0.7
244.99690	1.4
246.13809	1.0
247.24229	1.1
251.00127	2.6
264.14917	1.1
273.25787	12.4
285.15274	0.7
291.26834	6.8
307.14816	4.0
309.27905	4.2
327.14386	1.0
327.26410	1.3
328.15689	1.4
332.70673	0.6
333.75729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01854	0.8
55.05516	2.4
56.96571	0.4
57.07071	1.4
59.34333	0.5
61.60646	0.4
65.03928	0.7
67.05511	4.9
69.03425	0.5
69.07080	3.8
70.60902	1.4
71.04987	0.7
79.05503	4.4
80.92969	0.5
81.03434	0.9
81.07067	6.2
83.05019	0.5
83.08611	1.2
84.18812	0.4
85.06554	0.8
89.06043	0.7
91.05486	8.3
93.07058	14.0
95.04977	14.1
95.05560	0.9
95.08611	11.1
97.06544	3.6
97.10149	0.6
98.98474	100.0
105.07037	11.3
107.08604	7.0
109.06525	2.1
109.10184	4.0
111.08115	0.4
115.05491	0.7
116.99491	1.4
117.07015	2.9
119.08591	12.2
121.06506	3.0
121.10155	6.0
123.08060	2.9
123.11694	1.6
128.06241	1.1
129.07021	1.6
130.07782	0.9
131.08571	5.6
133.06534	0.8
133.10147	9.3
135.08070	2.2
135.11685	2.4
137.09647	0.7
140.01106	0.8
142.07819	2.0
142.85561	0.5
143.08566	3.8
144.09367	1.5
145.06573	0.5
145.10143	7.6
147.08099	1.1
147.11722	2.8
149.09625	1.3
153.07034	0.7
155.08565	1.3
156.09415	1.4
157.10143	6.7
158.10930	1.0
159.08098	1.3
159.11714	7.5
161.09610	3.2
161.13321	1.2
163.11194	0.6
167.08537	0.8
169.10095	3.2
170.10925	0.8
171.11684	3.0
172.94394	0.7
173.09709	0.8
173.13266	2.9
174.99249	16.1
175.14848	3.9
176.07109	0.7
179.08524	0.7
181.10124	1.0
182.11021	0.5
183.11694	2.4
184.12555	0.6
185.09634	0.5
185.13332	1.4
187.11235	1.2
187.14845	3.2
189.12709	0.5
189.16359	0.7
190.95479	0.5
194.10808	0.6
195.11757	0.8
197.13330	1.4
199.11206	0.6
199.14883	1.9
200.15846	0.5
201.12898	0.5
201.16415	1.0
207.11769	0.8
209.13307	1.5
211.14876	1.3
213.16429	0.9
215.14438	0.6
217.16035	0.7
221.13379	0.6
223.14801	0.5
225.16325	1.0
227.14296	0.9
235.14786	1.0
251.00032	3.1
253.15973	0.9
253.19588	0.6
271.17258	0.5
291.21066	0.7
309.22128	1.5
327.07800	2.3
327.14413	1.4
327.23199	2.4
327.26593	1.2
328.15369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.6
55.05514	4.4
55.30014	0.8
57.07074	2.3
59.04988	1.0
63.34927	0.9
65.03926	1.3
67.05508	10.2
69.03455	1.1
69.07076	5.4
69.20386	8.1
71.04982	0.9
77.03948	1.4
79.05499	8.1
81.03429	1.6
81.07053	11.2
83.08628	2.1
85.06532	1.3
91.05488	11.9
93.07055	23.7
95.04975	26.4
95.05564	1.8
95.08617	16.4
97.06529	8.3
98.98476	100.0
103.05506	1.3
105.04486	1.2
105.07037	18.2
107.08607	13.6
109.06524	4.0
109.10165	6.3
115.05489	1.9
115.55029	0.7
116.99534	1.6
117.07022	5.3
119.06075	0.8
119.08604	18.7
119.92262	0.8
121.06511	5.5
121.10159	10.0
123.08070	2.9
123.11738	4.2
128.06259	2.1
129.07013	3.8
130.07816	1.7
131.08571	9.7
133.10149	14.0
135.08046	2.7
135.11649	5.1
137.09636	1.7
141.07001	1.7
142.07765	4.8
143.08574	5.7
144.09360	2.2
145.10130	14.5
147.11719	5.3
149.09650	2.1
151.14844	0.9
152.06203	6.4
153.07040	5.7
155.08578	2.6
156.09421	2.6
157.10141	10.5
158.10927	2.2
159.11707	14.6
161.09599	4.8
161.13226	0.9
163.11229	1.2
163.14871	1.6
167.08577	1.1
168.05788	1.9
169.10146	6.0
170.10925	1.4
171.08058	1.0
171.11700	5.2
173.09641	1.2
173.13316	4.4
174.99234	14.6
175.11211	1.5
175.14848	5.6
179.08627	1.2
181.10077	1.2
183.11763	4.1
184.12474	1.0
185.13307	3.5
186.14008	0.9
187.11215	2.8
187.14862	4.4
189.12781	1.3
193.10147	1.1
194.11029	1.1
195.11736	1.6
197.13293	3.7
199.14853	3.2
200.15646	1.0
201.12823	1.3
201.16405	2.0
205.15979	0.9
206.10902	1.3
207.11765	1.5
209.13281	1.8
211.14883	1.8
213.16508	1.6
215.02551	1.5
215.14362	1.5
217.15918	2.5
220.12448	1.1
221.13196	2.0
223.14871	1.4
225.16388	1.9
227.14391	0.9
228.09494	1.5
229.15973	1.0
233.03584	7.1
233.05586	0.9
235.14903	0.9
239.18045	1.0
251.00047	3.5
251.04694	4.3
253.15971	1.8
265.19574	1.3
291.21014	1.4
309.22223	3.5
311.10577	0.9
327.07852	29.7
327.11484	1.8
327.14093	1.3
327.23175	4.9
327.26596	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	326.2118
Annotation	Daphniyunnine C
Peak:m/z	Relative Intensity
52.76485	0.3
53.03947	0.7
54.69597	0.3
55.01873	0.4
55.05513	0.8
56.96570	1.0
57.03426	0.3
57.07078	0.5
65.03934	1.7
67.05495	0.9
69.03427	0.4
69.07069	1.2
70.06585	0.4
70.07418	0.5
70.86555	0.5
70.86900	0.8
71.05001	4.5
74.47764	0.3
76.40626	0.4
79.05492	1.3
80.06305	0.3
81.03443	0.5
81.07065	2.5
82.07407	0.6
83.04989	0.4
83.08599	0.5
85.02891	0.5
88.07611	0.4
91.05485	46.7
92.05849	0.4
92.41750	0.3
93.07069	0.8
95.04974	10.5
95.08609	1.6
97.02892	0.5
98.97588	0.8
98.97730	0.6
98.98472	17.1
98.99125	0.8
103.05495	0.4
105.07031	1.2
107.08630	0.7
109.06509	0.5
113.09652	5.1
116.07078	0.5
116.70754	0.4
116.98650	0.4
118.06557	2.7
119.04954	36.8
121.06485	0.4
121.10192	0.3
123.04472	0.4
123.08078	1.2
128.04976	1.1
132.08127	0.8
133.08946	0.5
133.10081	0.5
136.05211	6.2
137.05988	3.0
146.09630	0.8
149.13228	0.4
151.07552	84.0
152.07910	0.4
156.04454	1.6
157.38303	0.4
160.11287	0.5
164.07086	0.8
174.99245	2.6
175.06317	0.5
175.07693	0.5
176.14363	47.9
186.05334	0.4
188.07071	2.5
196.13402	0.7
251.00095	0.4
266.08331	0.4
268.09616	0.5
280.09769	0.4
294.07993	0.9
294.11145	0.4
294.20517	0.6
298.07465	0.4
308.09906	0.8
308.22272	1.0
310.10712	2.1
311.11545	0.4
326.13879	9.5
326.21158	100.0
327.21527	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	327.2169
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
50.72339	0.4
53.03949	0.5
55.01873	1.0
55.05513	6.4
56.96562	0.6
57.03431	1.2
57.07065	0.8
67.05504	4.7
69.03431	1.5
69.07063	2.2
71.04977	0.5
74.98176	0.4
79.05505	3.9
81.03406	0.7
81.07059	5.3
83.04975	1.6
83.08170	0.5
83.08613	3.0
85.02902	0.6
85.06548	0.6
91.05471	2.4
93.07041	4.9
95.04962	4.2
95.08608	5.6
97.06538	1.3
97.10172	6.0
98.20725	0.9
98.98471	100.0
99.08121	0.4
105.07047	1.8
107.04955	0.9
107.08612	2.8
109.06561	0.9
109.10176	1.2
111.04452	0.4
111.08076	0.6
116.99501	1.8
117.07020	0.9
119.08590	2.1
121.06499	0.7
121.10149	1.8
122.02511	0.4
123.04439	0.5
123.08072	13.4
123.11731	1.9
125.09650	6.5
131.08578	1.5
132.52344	0.3
133.06479	0.4
133.10126	1.2
135.08043	1.1
135.11765	0.6
137.06013	1.2
137.09610	1.1
139.11194	0.6
140.01088	0.7
143.08638	0.6
145.10190	1.0
147.04391	0.4
147.08026	0.8
147.11673	0.7
149.09550	0.5
153.09094	0.6
159.11684	0.5
161.09612	0.7
163.11172	0.7
165.09137	1.8
169.12213	1.9
171.10156	0.7
172.94359	0.8
174.97713	0.9
174.99237	16.0
175.03833	0.8
176.07056	1.6
187.13300	2.8
189.11221	5.7
190.95428	0.6
193.12329	0.6
211.13249	1.0
223.13144	1.0
232.96529	0.6
245.19073	0.4
250.99991	3.5
251.10567	0.6
255.17433	0.7
261.50888	0.4
262.93982	0.6
263.20096	0.5
273.18500	6.7
291.19571	11.9
309.20590	4.7
327.08572	0.8
327.14240	1.9
327.21344	0.6
327.26486	2.9
328.15448	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1388
Annotation	Amurensine
Peak:m/z	Relative Intensity
69.56810	1.8
69.86695	0.2
71.59226	0.2
89.02494	0.2
95.04950	1.1
98.98447	0.7
123.04436	2.4
128.04965	14.2
138.06747	0.4
141.50345	0.2
156.04442	22.1
174.05481	0.7
188.07065	39.2
189.07849	3.8
190.05119	0.3
247.11850	0.3
249.17863	0.3
252.10146	0.9
266.08267	0.3
267.09033	0.4
268.09662	1.1
280.09723	1.5
281.10443	0.7
282.07932	0.4
282.11234	4.4
282.17044	0.6
291.48932	0.3
292.09821	0.3
294.07907	0.4
294.11316	0.7
296.09213	1.1
308.09177	0.4
310.10727	28.7
311.11533	2.3
326.13858	100.0
327.14279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.7
57.03438	1.0
61.02933	9.6
69.03423	1.5
69.64339	1.5
69.64742	3.5
70.06596	1.2
71.01349	2.9
72.64875	0.7
73.02921	1.0
79.05500	1.1
81.07068	1.2
84.99286	1.8
85.02890	3.5
91.05486	22.8
97.02911	1.5
98.97586	1.5
98.98480	1.6
101.02393	1.1
103.05461	0.7
107.04980	2.7
108.05820	0.7
109.06532	1.9
119.01873	0.7
119.04951	14.6
120.05749	2.9
121.06514	1.3
127.03967	1.4
129.01875	0.8
131.04985	0.7
133.03410	0.9
135.04463	4.1
136.05217	4.8
137.05988	100.0
138.06374	0.8
143.01881	1.3
144.99890	1.3
145.01308	1.2
145.06534	1.4
145.07567	0.8
146.07973	2.4
147.03427	0.7
147.04395	5.0
148.05214	1.9
149.06056	0.8
161.02985	0.8
161.05988	1.2
163.07561	1.2
164.07074	1.1
167.01897	1.1
172.08289	1.3
173.02867	0.7
173.05994	2.9
189.05449	1.4
191.07034	1.9
201.05533	2.6
205.02023	0.7
205.04681	4.9
205.54768	1.5
207.06488	1.0
213.03584	1.2
214.05096	1.3
216.07204	1.3
218.03502	1.9
219.06578	1.3
227.00343	1.1
227.04077	2.8
235.06097	1.6
263.05551	1.7
266.05103	0.7
270.60504	0.9
281.06796	0.8
291.02185	0.8
291.05026	2.4
309.06064	56.2
310.06558	0.8
326.08722	62.1
326.14603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.1
55.05535	0.6
56.96550	1.5
61.02927	1.4
65.03954	0.9
69.03445	1.4
69.44704	3.9
70.06588	1.4
71.01362	2.8
72.04510	0.6
72.08163	26.2
73.02916	1.1
75.04473	0.6
79.05501	1.0
81.07046	0.7
84.08142	2.0
84.99280	2.7
85.02899	1.6
90.05550	2.0
91.05489	23.1
93.05767	0.7
97.02878	1.4
98.97578	2.3
98.98489	7.3
101.02371	1.1
104.07011	0.5
105.79320	0.6
106.06569	2.3
107.04973	2.4
109.02857	0.9
109.06501	1.7
110.07177	2.1
116.98648	0.5
117.07005	0.7
119.04105	1.1
119.04954	17.3
120.05738	3.1
121.06508	1.8
123.04427	0.8
127.03942	0.9
130.06503	1.0
131.02005	0.7
135.04434	4.5
136.05232	3.8
136.06096	0.7
137.05989	100.0
138.06369	1.0
145.01363	1.4
145.05133	0.6
145.06470	2.2
145.07632	7.8
146.06161	4.4
146.07986	13.1
147.04425	5.4
148.05182	1.6
149.05988	1.8
154.08636	1.5
161.06009	1.3
163.03923	1.6
163.07518	1.7
163.08698	5.4
164.07115	5.1
164.09103	6.5
165.05499	0.9
167.03410	0.7
173.05942	2.7
179.07033	0.7
182.08224	0.8
188.07422	0.6
189.05502	1.6
191.07094	1.3
201.05524	2.1
203.03398	1.1
205.05002	1.7
206.09644	1.2
207.06538	1.0
208.04854	1.1
213.24756	0.7
218.77350	0.6
219.06639	1.7
223.12347	12.0
224.13075	1.4
229.04803	0.8
235.06110	1.5
236.07378	0.9
240.12666	0.6
249.13919	2.4
250.14737	2.1
255.14902	8.8
255.17400	0.9
263.05603	2.3
281.06522	1.0
291.04977	3.2
294.16061	1.8
297.73517	0.7
308.11081	0.7
309.06067	52.8
310.06372	0.9
326.08749	59.1
326.14288	16.8
326.18570	2.2
326.22223	11.5
327.09000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2739
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.52397	2.2
55.05516	21.0
56.63117	2.4
57.07069	9.8
67.05510	42.2
69.07068	39.4
71.04991	3.0
71.56990	3.1
79.05499	26.9
81.07066	96.1
83.08625	18.7
85.06550	15.1
85.10113	4.2
89.11542	2.4
90.38973	2.5
91.05481	27.8
93.07050	50.9
95.04989	5.6
95.08617	100.0
97.06547	5.8
97.09565	2.9
97.10151	12.6
99.08075	7.7
103.05449	3.0
105.03371	2.9
105.07050	32.0
107.07957	4.3
107.08605	45.2
109.06492	4.5
109.10158	55.4
111.08081	7.0
111.11700	8.9
113.09637	4.6
115.05429	3.1
116.97351	2.6
117.06993	3.9
119.04978	3.6
119.08556	24.4
120.61887	2.6
121.02847	3.5
121.10154	34.0
122.03602	3.5
123.11710	29.2
125.09634	7.8
125.13306	4.6
129.07007	3.1
131.04868	3.4
131.08563	9.6
133.02855	7.2
133.10146	24.7
135.04468	4.0
135.11694	32.9
137.05971	19.3
137.09595	10.7
137.13278	9.2
139.11201	4.9
145.06462	4.2
145.10092	12.4
147.08089	3.9
147.11710	21.3
149.13281	27.4
151.07541	3.7
151.11192	3.3
151.14903	5.0
155.10645	5.4
156.04460	6.4
159.11703	8.5
161.13258	20.9
163.03966	2.7
163.11157	2.9
163.14859	13.8
165.12752	6.2
173.06020	3.3
173.13275	7.9
175.03928	4.5
175.07524	10.6
175.14841	11.9
177.07013	4.6
177.16444	5.3
179.14322	4.3
179.17952	3.7
186.03079	7.5
187.14775	6.3
188.07056	8.2
189.16386	10.5
194.07285	5.3
198.06972	2.9
201.05489	10.6
201.16432	7.1
205.06497	11.5
215.17995	7.7
219.07991	4.3
221.06071	4.7
222.06779	8.3
222.54938	2.5
233.05971	6.9
234.06702	3.7
237.09196	9.0
247.07564	3.4
249.05348	3.9
250.06291	10.6
259.24203	3.6
261.25699	5.8
264.07748	4.3
265.08664	21.0
265.25336	3.7
271.24295	25.9
277.25232	6.1
278.05536	3.3
289.25299	42.4
290.13895	2.9
292.07465	13.1
293.08127	20.1
297.07651	2.8
297.11105	5.5
307.09650	18.2
307.26294	21.9
310.10880	6.3
325.07050	14.7
325.10718	40.6
325.14301	5.7
325.27298	16.9
326.13864	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	325.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39181	0.7
55.01865	1.1
55.05504	1.7
56.05029	0.8
57.03426	1.1
59.04992	1.2
67.05482	0.8
68.05025	1.3
69.03440	1.2
69.07067	1.8
69.45405	5.1
70.06590	2.6
72.08150	0.8
79.05492	1.7
80.05028	2.0
81.07056	2.9
83.08633	1.0
84.04513	12.9
84.08141	2.2
85.02914	15.0
86.06078	6.8
86.09715	0.9
87.04435	0.8
91.05496	2.4
93.05790	1.1
93.07053	4.6
94.06533	1.1
95.01338	2.0
95.08623	1.3
96.08130	1.9
98.06059	2.2
100.07656	0.9
102.05562	9.0
105.03426	0.8
107.08607	2.5
108.08128	35.5
110.09704	3.9
110.10418	1.0
112.04002	0.9
115.01042	0.9
119.04884	1.5
119.08585	1.8
120.08100	0.7
121.02802	1.3
121.10163	0.9
122.09662	3.0
123.04412	0.7
123.10467	2.2
124.07588	1.6
124.11210	1.0
127.05058	0.8
130.05019	74.1
133.02895	4.8
134.09691	1.6
135.04395	1.0
135.11717	4.9
136.11191	1.2
137.05995	1.8
138.09067	0.8
142.05019	0.9
143.00294	0.8
149.05998	2.0
150.05566	1.6
150.06691	0.9
150.12802	9.9
151.13574	2.3
152.14360	94.4
153.14729	1.2
154.15941	3.5
161.06039	0.9
163.03860	1.3
165.05605	0.8
178.03308	1.1
178.15935	3.3
179.03542	3.6
183.27408	0.7
190.16013	1.1
196.16989	32.7
197.05730	0.8
201.05495	1.9
207.03136	1.2
222.14949	0.8
235.18135	3.8
240.07664	0.9
261.19839	0.9
264.15976	13.9
265.08707	1.0
266.17639	1.3
267.06418	1.3
268.07407	0.9
272.13968	1.1
281.18634	74.3
282.19061	1.3
283.20270	1.3
290.14740	2.7
296.06683	1.0
297.07669	1.8
307.09802	0.9
307.17300	2.6
308.07855	1.5
308.18631	4.9
310.10617	1.1
311.11432	0.9
312.94513	0.7
324.67130	0.9
325.07071	13.6
325.10699	3.8
325.21252	100.0
326.13788	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.25543	2.7
53.03940	10.9
55.01854	11.9
55.05516	17.8
56.96553	8.6
57.03424	11.5
67.05503	48.2
69.03417	8.9
69.07071	23.4
69.47710	21.5
71.04987	6.4
79.05499	33.1
81.03418	27.6
81.07067	44.5
83.04984	24.5
83.08612	10.2
85.02897	9.1
85.06535	7.3
91.05493	30.5
93.07049	32.5
95.04974	18.2
95.08627	20.8
97.02882	3.2
97.06535	100.0
97.10130	4.1
98.97612	10.0
99.04446	3.9
99.08084	4.4
105.07024	25.6
107.04933	16.3
107.08603	26.5
109.06499	9.5
109.10159	34.9
111.04430	11.1
111.08090	8.7
113.05987	8.1
116.98644	4.6
117.07041	7.0
119.08572	12.2
121.06485	10.8
121.10161	9.5
123.04414	7.1
123.08068	11.3
123.11685	4.3
131.04930	4.2
131.08572	11.9
133.06482	4.8
133.10138	38.4
135.08054	6.7
135.11679	9.3
137.05943	6.7
137.09566	4.6
142.01898	3.2
145.06483	8.2
145.10127	8.6
147.04353	3.6
147.08038	3.8
147.11713	4.1
149.09583	4.0
149.13252	5.8
149.68118	3.2
151.11176	15.6
157.10176	3.8
159.08046	5.3
159.11670	8.9
163.03891	3.0
169.10098	5.3
169.12256	4.8
171.11687	3.1
177.12737	10.7
177.80368	3.3
187.11165	11.1
195.13803	3.6
201.00716	3.5
201.13231	5.3
205.12221	4.4
211.13231	5.8
219.01700	4.7
223.13269	12.2
233.15424	8.6
237.14973	4.0
241.14362	20.7
261.18393	9.1
262.06870	3.4
271.16803	6.4
283.06006	5.0
283.46118	3.6
289.17984	51.3
293.21005	4.0
297.07468	5.2
307.19104	22.2
323.12759	13.0
325.07089	15.0
325.10492	4.2
325.20062	16.6
325.28818	3.3
326.13672	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	325.1436
Annotation	(-)-phaseolin
Peak:m/z	Relative Intensity
50.22898	0.2
53.03926	0.4
55.01844	0.9
68.99792	1.6
69.07048	0.6
71.41419	0.4
74.26520	0.2
79.05508	1.2
81.03368	0.8
83.01309	0.6
91.05458	0.9
92.59255	0.2
92.71757	0.2
95.04934	0.4
96.57935	0.2
103.05441	0.7
107.04967	1.3
109.02886	2.5
117.57810	0.2
119.04937	0.5
121.02801	0.3
123.04433	10.4
128.06226	0.4
129.07008	0.3
131.04973	1.5
133.06465	0.2
135.04422	14.3
137.02330	0.4
141.06976	0.3
143.08524	0.8
145.06482	0.4
145.10115	0.4
147.04427	6.7
148.05165	0.6
152.06212	0.4
153.06943	0.5
155.08514	0.4
157.06456	0.7
159.04430	4.8
160.05185	0.6
161.05994	2.5
163.03824	0.2
165.06989	0.5
167.08583	2.0
169.06493	0.4
171.08063	2.8
173.06017	1.1
177.06975	0.6
179.08566	0.4
181.06445	0.7
183.08051	0.4
184.05238	0.2
185.05995	0.6
185.09605	0.9
186.06787	0.3
187.07527	1.0
191.10674	7.9
195.08057	4.1
197.05945	0.7
198.06781	2.5
199.07533	3.5
201.09088	0.9
205.06512	0.4
209.05980	0.3
210.06862	0.3
213.05556	0.6
213.09106	3.8
215.05057	0.4
215.07043	6.3
215.10632	0.8
223.07545	4.2
224.08286	0.5
226.06256	5.0
227.07045	2.7
240.07822	0.7
241.08600	7.8
251.07054	5.8
252.07841	0.9
254.05753	1.7
267.06573	0.2
269.08093	100.0
270.08353	0.6
325.10681	0.5
325.14371	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	325.1396
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
55.01863	0.4
55.78047	0.3
56.96556	0.5
57.03443	0.5
61.02915	0.9
69.03415	0.8
70.81454	1.1
72.08159	0.7
84.68238	0.3
85.02935	1.9
91.05471	1.5
97.02913	0.5
98.97579	0.7
101.80343	0.4
117.05746	0.5
118.06551	2.9
119.04849	0.3
119.07292	0.3
121.06523	2.3
124.49856	0.4
133.07602	3.5
137.05974	3.1
138.06291	1.1
138.09125	0.8
145.07620	100.0
146.08340	1.3
147.09135	0.5
150.05476	0.5
158.99695	0.4
159.36316	0.3
162.09329	0.4
163.08679	56.9
171.82883	0.4
173.05504	0.5
223.12389	0.4
309.05969	1.0
325.13971	80.6
326.08813	0.9
326.14374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61544	0.2
53.03931	0.4
54.15833	0.2
56.65533	0.2
57.03424	0.2
65.03933	0.3
67.05506	1.6
69.03423	0.4
70.06590	0.3
70.09931	0.6
70.10340	0.4
71.05021	0.3
74.39911	0.2
81.07037	0.3
84.04515	0.3
84.08160	0.3
85.02904	0.9
94.06571	7.3
96.04510	0.2
97.02933	0.3
98.97597	0.4
106.06559	2.3
109.10123	0.3
109.51335	0.2
110.97588	0.2
117.09116	1.1
122.06033	5.8
124.07592	0.5
127.03935	0.3
127.11246	0.4
134.06020	2.7
136.07568	1.0
137.05962	0.3
138.05524	0.6
145.05038	0.3
145.09193	0.2
145.12245	0.4
148.03970	1.4
149.07103	3.4
150.05515	100.0
151.05989	0.5
151.08667	3.5
152.07085	2.4
161.07112	0.9
162.05507	0.6
163.03911	2.4
168.06572	1.5
177.06535	0.4
179.08168	1.8
189.06628	0.7
198.89755	0.2
207.07614	0.2
217.06140	0.8
219.01703	0.3
233.05640	0.9
237.02803	0.4
251.06534	0.3
261.08688	0.2
307.09781	0.2
325.06573	0.2
325.10300	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	325.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61544	0.2
53.03931	0.4
54.15833	0.2
56.65533	0.2
57.03424	0.2
65.03933	0.3
67.05506	1.6
69.03423	0.4
70.06590	0.3
70.09931	0.6
70.10340	0.4
71.05021	0.3
74.39911	0.2
81.07037	0.3
84.04515	0.3
84.08160	0.3
85.02904	0.9
94.06571	7.3
96.04510	0.2
97.02933	0.3
98.97597	0.4
106.06559	2.3
109.10123	0.3
109.51335	0.2
110.97588	0.2
117.09116	1.1
122.06033	5.8
124.07592	0.5
127.03935	0.3
127.11246	0.4
134.06020	2.7
136.07568	1.0
137.05962	0.3
138.05524	0.6
145.05038	0.3
145.09193	0.2
145.12245	0.4
148.03970	1.4
149.07103	3.4
150.05515	100.0
151.05989	0.5
151.08667	3.5
152.07085	2.4
161.07112	0.9
162.05507	0.6
163.03911	2.4
168.06572	1.5
177.06535	0.4
179.08168	1.8
189.06628	0.7
198.89755	0.2
207.07614	0.2
217.06140	0.8
219.01703	0.3
233.05640	0.9
237.02803	0.4
251.06534	0.3
261.08688	0.2
307.09781	0.2
325.06573	0.2
325.10300	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	325.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01855	0.2
56.96555	0.5
57.03411	0.2
65.03941	0.5
67.05507	1.8
68.99764	0.2
69.03413	0.4
69.41676	1.6
70.06586	0.7
71.04985	0.7
73.02919	0.2
79.05492	0.5
81.03408	0.4
81.07044	0.3
84.04497	0.2
84.08141	0.6
84.89370	0.2
85.02912	1.6
91.05476	0.3
94.06575	7.4
96.04457	0.3
97.02896	0.6
98.97576	0.5
99.08107	0.3
106.06565	2.7
110.06070	0.2
114.96486	0.2
116.07095	0.4
116.98615	0.2
117.09137	1.6
120.04448	0.2
120.08090	0.2
120.16561	0.2
121.06554	0.4
121.07597	0.2
122.06042	5.9
123.06763	0.2
124.07579	0.3
127.03884	0.6
127.11239	1.5
130.06516	0.2
133.07669	0.2
134.06027	2.6
136.07553	1.0
137.05994	0.2
138.05519	0.6
140.07037	0.2
141.91779	0.2
143.31328	0.2
145.04996	0.4
145.07668	0.2
145.12251	0.4
148.03934	1.3
148.06224	0.2
149.07103	4.0
150.05516	100.0
151.05975	0.6
151.08672	3.5
152.07091	2.5
159.05525	0.2
161.07089	1.4
162.05475	0.4
163.03925	8.7
163.07481	0.2
163.08646	0.4
163.13298	0.5
166.04996	0.2
168.06586	1.9
177.06648	0.5
178.03195	0.2
178.07346	0.5
179.08173	1.9
189.06645	1.0
200.05666	0.2
201.00624	0.3
206.09782	0.2
207.07666	0.2
217.06088	0.9
219.01752	0.3
233.05598	1.3
237.02866	0.5
251.06712	0.6
263.13843	0.3
293.21329	0.3
307.04321	0.4
307.09464	0.3
325.06863	0.4
325.10428	4.3
325.13953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2171
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03955	0.5
54.50315	0.3
55.01881	0.6
55.05517	1.7
55.22992	0.4
67.05506	3.2
69.03447	0.6
69.06719	0.8
69.07075	9.5
69.33413	0.8
69.33814	2.8
79.05495	3.4
81.07061	7.4
83.04991	4.1
83.08611	0.4
86.09709	100.0
91.05489	9.7
93.07050	11.3
95.04987	2.5
95.08603	2.7
97.06541	0.5
101.08456	0.4
105.07036	14.8
107.08596	2.9
109.06525	8.5
109.10165	1.8
111.08080	3.7
117.07025	0.8
119.08582	4.7
121.10163	1.1
123.08069	1.2
128.10733	5.4
129.07031	0.9
131.08572	4.3
132.10214	29.9
133.06532	1.2
133.10135	16.8
135.08023	0.7
137.06035	0.6
142.07854	0.4
145.10149	0.4
147.08025	0.7
147.11699	13.1
149.09647	1.7
149.13258	0.8
151.07570	3.4
151.11194	44.4
156.10243	1.3
157.10121	0.5
165.12807	1.8
175.11201	4.3
185.94743	0.4
193.12247	4.0
210.14882	0.8
222.14917	1.0
236.20021	0.5
260.20123	7.4
278.21161	30.5
299.11160	0.4
302.30676	0.4
306.20654	8.2
324.18399	0.8
324.21695	20.6
347.79651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	13.7
58.99612	1.1
59.82558	0.9
61.41962	0.9
67.18307	0.8
69.86864	3.0
70.02954	2.5
70.06593	3.0
72.08191	2.2
73.02930	1.0
81.07056	0.9
83.37997	0.8
84.00439	0.8
84.04504	1.1
86.09710	1.2
87.13141	0.8
88.04043	0.9
91.05487	1.4
97.01096	1.5
98.02428	3.7
107.04962	1.2
109.01099	2.4
109.20562	0.8
116.03476	1.2
116.07063	1.8
119.39269	0.9
121.01102	7.4
130.06520	1.6
135.02650	3.6
137.00569	1.6
137.05998	2.2
146.06023	13.2
149.00574	33.3
149.29074	0.9
150.03738	1.5
151.02110	1.2
158.06161	1.2
159.06781	11.9
160.02208	3.6
161.06470	1.1
162.03752	17.3
163.02141	1.4
164.01668	12.0
164.05298	3.2
174.03810	1.2
174.07886	1.7
178.03233	42.8
189.02466	1.0
189.04828	2.0
190.03230	32.5
191.03981	2.6
192.04791	48.8
193.05217	1.0
204.04802	4.9
206.02742	9.5
207.05872	4.5
208.04289	33.6
217.04356	2.6
218.02762	11.5
227.36632	1.1
232.04176	0.9
235.05354	8.1
236.03781	28.7
247.05373	28.4
253.06487	1.0
261.07120	2.5
264.08145	2.9
272.03717	1.7
289.06451	21.0
306.09073	2.3
307.07489	100.0
309.10605	0.9
324.09955	13.5
333.92520	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1959
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03940	0.6
55.01873	0.4
55.05517	0.4
55.93545	0.3
56.94307	0.6
56.96561	0.7
57.07083	0.3
63.16630	0.2
67.05507	0.7
69.03439	0.2
69.07075	0.8
70.01401	0.7
70.19939	0.2
70.95858	0.8
71.60118	0.2
72.93800	1.6
77.03913	0.3
79.05495	13.9
81.03415	0.7
82.07417	0.3
83.05006	0.3
83.08617	0.3
85.02898	0.4
90.94830	0.6
91.05476	1.9
92.05830	0.4
93.07054	1.5
93.07555	0.2
95.04980	0.9
95.08620	0.7
97.02931	0.3
97.10167	0.2
98.20773	0.3
98.97595	1.5
103.05474	30.9
103.28491	0.2
104.05780	0.3
105.04520	0.2
105.07050	2.8
106.07380	0.3
107.04960	18.1
108.05318	0.4
109.02898	0.3
116.07398	0.2
116.98614	0.6
117.07037	0.2
118.06541	3.7
119.04982	0.4
119.08594	0.6
120.05290	0.3
120.08911	0.3
121.06484	1.4
121.10191	0.3
122.53326	0.2
123.04430	1.5
123.11688	0.3
124.04794	0.7
126.32019	0.3
126.98416	0.3
127.03984	0.2
128.06252	0.3
128.96347	0.5
130.97887	0.3
131.00180	0.3
131.04935	10.4
131.08487	0.3
132.08073	1.6
132.08939	0.3
133.08852	0.9
133.10092	0.4
134.09634	0.3
134.92642	0.2
134.97426	0.2
135.04443	0.8
136.04794	0.5
143.08568	0.4
144.08955	0.2
144.99545	0.2
146.09668	1.2
146.99596	0.2
147.03342	0.4
147.04419	3.3
147.08057	2.3
147.11676	0.4
148.04739	2.1
148.08389	2.2
149.06020	0.8
151.02054	0.6
151.07530	0.4
154.97955	0.5
158.99672	0.4
160.11287	0.7
161.05907	0.3
161.09647	0.5
162.06297	0.3
162.09981	0.7
163.03903	0.8
164.04239	0.6
165.03674	0.5
165.12724	0.3
166.97916	0.7
171.08067	0.7
172.08412	1.0
175.07201	0.3
176.14357	42.1
177.00732	0.4
177.14722	0.3
178.98000	0.3
182.08192	0.3
185.06059	0.3
186.01321	0.5
186.06381	0.3
189.03688	0.6
189.09105	4.5
189.10709	0.3
190.09470	7.3
192.99397	0.3
199.02084	0.4
201.03575	0.3
202.09373	0.4
214.09471	0.8
227.03680	0.6
230.08812	0.3
233.14066	0.7
237.02893	0.4
237.05751	0.5
244.99683	0.4
252.15843	0.4
255.06793	0.8
256.06732	0.3
257.10736	0.4
265.05225	1.0
269.10541	0.6
280.13239	0.3
283.06262	5.2
283.12015	0.5
296.10211	0.5
296.13596	0.7
297.86853	0.3
301.07339	10.7
301.13153	0.6
306.07971	0.4
306.11734	0.3
324.09018	2.3
324.13174	6.1
324.19580	100.0
325.19965	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.5
66.02042	0.6
70.02980	0.7
70.99477	1.1
73.02930	0.9
91.05500	1.0
98.02435	1.1
109.01138	1.2
121.01065	1.0
134.06030	1.2
146.06018	2.4
149.00566	2.3
150.03711	4.3
157.05231	0.7
159.06779	3.3
162.03741	9.2
164.01665	0.6
174.07918	1.2
178.03229	100.0
179.03906	0.9
180.04938	0.9
190.03236	18.1
192.04803	11.6
204.04898	1.2
206.02718	35.6
207.05876	15.1
208.04308	13.5
208.06427	0.8
209.07524	1.8
217.04333	0.8
218.02722	2.6
221.07434	0.9
230.08264	0.9
235.05354	5.0
236.03769	8.6
247.05386	6.1
248.09264	3.5
252.08090	1.7
253.06461	1.6
261.06824	1.8
264.08044	8.5
274.28229	0.6
277.06631	0.7
289.06442	7.1
306.09109	8.2
307.07471	37.8
308.08044	0.7
324.10126	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01869	2.6
55.05512	6.0
56.96584	1.7
57.03442	6.7
57.07084	1.1
59.05005	1.0
62.81036	0.8
65.03949	1.7
67.05508	30.7
69.03429	1.6
69.07073	18.8
69.59471	3.1
69.59901	3.5
71.05003	7.1
73.06554	5.6
79.05498	15.1
81.03405	1.0
81.07064	18.3
83.01368	1.1
83.04974	2.4
83.08619	5.0
85.02914	2.7
85.06538	6.8
91.05481	14.0
93.07043	15.9
95.04973	12.6
95.08607	13.0
97.06522	2.6
97.10166	1.6
98.21419	2.2
98.97573	4.1
99.08098	100.0
105.07038	15.3
107.04956	14.5
107.08608	10.5
109.06528	16.2
109.10149	4.3
111.08111	2.8
113.06009	4.1
114.26788	0.9
115.05454	1.3
116.98619	3.3
117.07008	6.2
119.04948	1.5
119.08582	11.1
121.06508	4.0
121.10148	8.0
123.08064	4.0
123.11693	1.3
125.09625	2.1
127.07535	5.8
129.06990	3.0
131.08594	8.3
133.06476	4.1
133.10133	9.2
135.08067	12.2
135.11678	5.1
137.05980	3.1
137.09575	2.2
139.07617	1.6
139.11191	1.6
141.09111	1.9
143.08594	4.5
145.06531	2.3
145.10135	6.9
147.04408	1.9
147.08064	7.0
147.11682	3.5
149.06041	1.3
149.09650	5.2
149.13277	2.5
151.07574	1.4
151.11130	1.3
153.09192	1.4
157.06516	1.3
157.10150	3.3
159.08072	1.5
159.11729	4.6
161.09592	6.2
161.13280	1.4
163.11206	3.8
164.07079	3.0
165.09090	1.5
171.11697	2.3
173.01280	1.1
173.09727	1.5
173.13348	2.2
175.11191	1.6
177.12772	1.2
181.12306	1.2
185.13246	1.4
187.11107	1.0
189.09105	1.6
189.16422	1.2
195.13753	1.1
199.11131	1.4
199.14899	2.4
211.07603	1.5
213.12662	1.2
217.15907	5.7
227.17970	1.6
231.08031	1.2
237.16287	1.3
239.07143	1.2
245.18919	2.0
249.14786	1.3
254.05753	1.1
255.17461	3.7
258.99823	2.2
259.24207	2.3
263.20120	1.2
267.06549	7.8
273.18512	16.6
277.00851	1.5
277.22540	1.1
277.25421	1.7
291.10175	2.3
291.19547	21.7
305.17697	1.6
305.21216	7.4
305.24667	3.9
322.68985	1.9
323.09247	3.0
323.12823	3.8
323.18866	1.3
323.22791	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	323.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
55.01864	2.3
55.05510	1.7
57.03430	2.3
58.09158	1.3
61.02938	3.4
65.85691	1.3
67.05509	2.8
69.03425	8.9
70.06598	4.0
71.05006	1.7
71.07311	3.2
73.02938	2.2
75.69231	1.2
79.05532	1.9
81.03423	3.9
81.07110	1.4
82.16772	1.5
84.04520	1.5
84.08166	3.2
85.02904	18.6
87.04478	2.5
91.05484	2.1
91.81898	1.4
93.07071	1.7
94.06569	8.0
97.02921	6.4
107.04981	1.4
108.08128	20.6
109.02924	1.9
110.06043	6.7
116.07143	1.7
117.31938	1.3
118.06592	3.3
119.05028	1.8
119.07366	5.8
120.08103	9.9
121.06488	1.4
122.06061	5.3
123.06863	2.6
124.07618	10.1
127.03952	3.3
136.07587	100.0
137.06073	2.1
138.09196	2.5
142.08652	10.0
143.01080	2.1
145.05019	2.2
145.07635	1.9
146.06032	6.7
147.06834	2.4
147.09229	1.5
148.07619	6.4
152.07042	3.1
154.08636	4.7
160.07672	2.0
161.02100	33.2
161.03337	1.8
164.07086	40.9
164.08374	2.6
166.08647	2.3
172.11279	1.4
173.10849	4.2
181.03542	1.8
181.08951	2.1
183.09280	1.6
184.09976	2.0
185.04230	60.1
195.09132	2.3
196.11369	2.8
197.10626	1.5
198.07898	1.8
198.11531	3.4
201.10323	6.1
202.32249	1.5
203.05273	16.7
211.08765	2.4
212.09360	1.8
213.10216	7.4
213.14001	4.3
223.12404	1.9
224.10811	4.0
225.10306	6.6
226.11006	10.6
233.03127	1.9
239.04175	2.9
239.11752	1.7
240.12621	2.4
241.09764	7.5
241.13371	27.5
254.10617	3.3
259.14471	29.9
259.17081	2.1
269.12845	43.2
277.15720	2.7
287.13940	40.7
291.19644	2.3
299.33096	1.6
305.05765	2.2
305.14969	100.0
323.07449	95.9
323.11234	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	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01862	2.1
55.05490	3.5
55.05728	0.8
56.96559	1.4
57.07066	0.8
67.05512	4.4
69.03403	1.0
69.07050	4.0
71.04971	1.3
71.61185	0.8
73.29893	0.9
79.05501	4.9
81.03424	1.1
81.07053	8.5
83.08597	1.8
85.02914	2.2
85.06526	1.2
91.05484	7.6
93.07036	5.1
95.04957	2.7
95.08604	7.8
97.02894	1.4
97.06518	1.1
97.10161	1.3
98.20724	1.7
98.97569	3.2
103.05469	3.3
105.06399	1.2
105.07043	15.7
107.04958	1.5
107.08578	4.1
109.02905	1.3
109.06525	1.8
109.10137	3.5
109.28389	0.8
111.08079	1.5
115.05443	3.8
115.90171	1.0
116.98605	1.8
119.04939	2.8
119.08567	3.8
121.06549	5.7
121.10153	4.6
123.04436	6.4
123.11680	1.7
128.06253	1.8
131.04916	3.0
132.05757	1.3
132.10188	2.9
133.06517	6.7
133.10190	3.4
135.04433	2.2
135.11670	2.1
137.05974	13.7
137.13239	1.4
139.05472	1.4
141.06964	1.3
143.08516	2.1
145.06497	1.5
146.03616	5.8
147.04413	11.2
147.08022	9.9
149.05977	3.0
149.13255	2.8
151.07500	1.1
151.11295	1.1
155.63126	1.0
157.10172	1.0
158.99612	1.9
161.05986	80.7
161.09604	2.4
163.03928	1.3
163.07521	2.1
163.14763	0.9
165.07065	1.3
171.08041	4.5
173.01259	1.1
173.05962	1.2
174.06870	1.0
175.07530	3.4
177.05479	2.0
179.08640	1.1
184.05191	1.2
187.07507	1.6
189.07358	2.0
189.09105	24.4
191.02301	1.1
191.08563	3.8
192.09299	2.1
195.08104	1.2
199.07483	4.2
202.07787	19.5
203.08557	31.3
204.09351	1.8
205.06491	3.1
213.07085	1.4
213.09009	1.7
219.08061	10.2
220.08849	11.5
221.05875	1.1
222.06718	1.0
229.06406	1.1
230.07288	3.4
230.21185	2.1
231.08046	51.6
231.21385	6.3
232.08838	7.8
233.06030	1.8
233.09724	1.4
235.07542	1.8
235.11171	2.5
237.09039	2.3
241.06407	1.0
245.05939	1.2
245.09763	1.7
246.65005	1.2
247.07544	7.5
248.08330	22.4
249.05392	1.1
249.09044	3.0
258.06790	4.5
259.07556	40.5
260.04135	1.2
260.08347	28.6
261.05316	1.1
261.09088	2.5
262.06458	1.3
262.09799	1.6
263.07703	1.2
263.10690	23.1
265.08594	4.6
267.06595	2.0
267.09750	0.9
273.09085	1.1
275.06973	4.8
276.07782	21.1
277.08597	4.2
279.09976	1.1
280.07288	1.1
280.10852	1.5
290.09152	1.1
291.10156	100.0
292.10834	3.1
293.08105	3.4
295.09793	1.9
295.13226	3.0
305.08163	1.0
305.11404	1.3
305.21561	1.0
305.24591	4.4
307.09714	1.0
308.10449	5.8
311.13104	1.0
314.13412	1.2
317.25891	3.6
323.09305	7.7
323.12766	99.7
323.26147	18.7
324.13062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
55.05505	2.7
56.96557	2.1
57.03413	1.5
59.04989	0.9
67.05501	6.5
69.03410	1.7
69.07076	5.3
69.69452	2.3
69.69855	3.6
76.79410	1.0
78.47629	1.0
79.05505	7.8
81.03410	1.2
81.07062	14.9
83.04941	1.4
83.08609	1.5
84.04478	1.5
85.02892	2.6
85.06552	1.4
91.05470	7.4
93.07059	8.8
93.18778	1.3
95.04981	2.1
95.08610	11.7
97.02879	1.1
98.97574	6.6
103.05443	3.3
105.06378	1.4
105.07034	15.3
107.04936	2.6
107.08604	9.5
109.02850	1.2
109.06515	2.9
109.10180	8.0
110.09571	1.0
110.97565	1.4
111.08064	2.1
115.05505	4.6
115.27942	1.0
116.98581	2.0
117.06998	1.6
119.04932	3.7
119.08556	4.7
121.06503	4.4
121.10158	6.1
123.04466	6.4
123.11729	2.9
128.06210	1.5
129.06929	1.7
131.04930	2.7
131.08514	2.4
132.05693	1.0
133.06497	7.5
133.10104	3.2
135.04428	3.2
135.08138	1.0
135.11632	2.7
137.05975	14.3
139.11044	1.2
143.08527	2.0
145.10107	1.6
146.03619	5.1
147.04422	13.3
147.08069	8.5
147.11696	2.1
149.05992	1.1
149.09575	1.5
149.13254	2.3
151.07622	1.2
151.11110	1.1
158.99625	1.2
159.08051	1.7
159.11688	1.3
161.05997	74.2
161.09604	3.2
161.13245	2.6
162.06746	1.1
163.03925	3.1
163.14806	3.3
167.04861	1.7
171.08051	4.1
173.06001	1.2
173.13269	1.1
175.07526	2.4
177.00650	1.3
177.05487	1.4
178.03282	1.1
185.05898	1.1
189.07387	1.8
189.09119	24.2
191.08548	4.2
192.09380	1.6
195.08130	1.1
199.07530	6.2
201.16362	1.2
202.07768	16.2
203.08580	26.5
204.09306	2.1
205.06493	2.9
207.08070	1.4
213.09102	3.6
215.08755	1.3
219.01732	2.2
219.08081	9.8
220.08812	8.1
230.07291	3.4
231.08072	47.7
232.08798	6.2
233.05965	1.5
233.09557	1.7
235.07545	1.7
235.11270	2.4
237.09070	2.6
238.09790	1.0
247.07527	8.7
248.08351	21.7
249.09074	2.6
258.06750	2.8
259.07550	38.0
260.08328	28.3
261.09045	2.6
262.09851	2.6
263.10706	19.5
265.08578	3.3
267.06531	1.7
267.10098	1.1
269.22687	1.8
275.06998	5.8
276.07825	19.7
277.08511	3.9
280.10782	1.3
287.23645	3.3
291.10165	96.2
292.10715	3.3
293.08228	5.6
295.09781	2.2
295.13284	2.8
305.11679	1.5
305.24780	7.3
308.10489	4.9
317.25842	2.5
323.09195	9.6
323.12741	100.0
323.25739	3.5
324.12872	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	3,4-Didehydroglabridin
Peak:m/z	Relative Intensity
53.03942	1.4
55.01872	3.4
55.05507	1.1
56.96565	1.1
57.03432	1.5
65.03936	0.6
67.05495	2.3
69.03426	0.8
69.07066	1.5
69.78716	3.4
79.05494	4.0
81.03391	1.5
81.07047	4.4
83.04970	1.0
83.08616	0.9
85.02899	1.4
91.05482	10.5
93.07042	2.3
95.04975	1.4
95.08576	1.5
97.02904	0.6
97.10178	0.8
98.97576	2.7
103.05472	2.6
103.99223	0.6
105.07030	6.6
107.04958	5.8
107.08585	0.7
109.02890	1.7
109.06494	1.8
109.10213	0.7
111.68978	0.5
112.99103	0.7
115.05471	1.5
116.98641	0.9
117.07020	2.3
119.04947	6.6
119.08585	6.9
121.06512	1.5
121.10139	1.2
123.04434	19.2
123.08053	0.7
128.06232	5.9
129.06998	1.9
130.30620	0.6
131.04915	1.8
131.08592	2.1
132.05801	0.9
133.06448	1.7
133.10117	3.7
135.04411	10.1
135.08046	1.0
137.06007	3.3
141.06993	1.1
142.07756	0.8
143.08553	6.6
145.06493	2.1
146.07303	1.9
147.04414	42.4
147.08046	38.9
147.11734	0.9
148.05194	1.0
149.05991	1.9
153.06961	0.8
155.08504	0.9
157.06430	0.9
159.04442	0.9
159.08061	1.3
160.05194	1.0
161.06036	3.4
161.09624	9.5
163.03900	11.8
164.07060	4.6
165.07341	1.4
169.06447	0.7
170.07291	0.9
171.08046	12.7
173.05989	1.8
174.06790	3.1
175.07622	2.9
176.14337	1.0
179.08572	0.8
183.08035	0.7
185.05991	2.9
185.09564	0.8
187.07590	2.9
189.09116	100.0
195.08104	1.5
198.06731	1.5
201.09056	3.0
211.07582	1.3
213.09123	6.3
215.07040	1.5
223.07539	0.7
225.08946	0.6
229.08577	2.5
235.07520	1.2
239.10649	1.1
253.08574	2.1
255.06476	0.9
256.07108	0.7
262.09869	0.9
263.10529	0.6
267.06424	0.8
267.09937	1.0
267.13788	0.7
269.08093	1.5
276.07886	0.8
277.08939	0.8
281.08215	1.3
281.11624	1.4
282.12195	1.4
283.09052	0.7
291.19583	0.7
293.08093	1.0
295.09628	6.5
295.13269	6.3
305.11728	1.3
305.17529	0.8
308.10397	1.8
322.69244	5.6
323.09982	1.5
323.12775	41.7
323.18768	1.2
324.19492	3.2
331.23846	1.9
332.24133	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	323.128
Annotation	AC1NSVWC
Peak:m/z	Relative Intensity
53.03943	0.5
53.42004	0.4
53.67171	0.5
55.01873	2.9
55.05492	0.5
57.03418	0.8
65.03947	0.9
67.05487	1.2
68.40820	0.4
68.99808	0.7
69.03421	0.8
69.07076	0.5
77.03926	0.6
79.05489	2.8
81.03398	0.7
81.07059	2.7
85.02906	0.7
91.05485	12.3
93.07052	1.8
95.04990	2.1
95.08609	1.1
97.06538	0.5
98.97576	1.6
103.05447	1.6
105.03407	0.5
105.04487	0.4
105.07034	6.8
107.04973	5.3
107.08584	0.7
109.02887	0.6
109.06506	0.9
115.05470	1.6
117.07012	1.9
119.04945	6.8
119.08578	5.4
121.02827	0.5
121.06503	4.0
123.04438	17.2
128.06229	5.4
129.06993	1.2
131.04956	2.1
131.08597	1.2
131.55249	0.5
132.05727	0.7
133.06473	2.0
133.10129	2.9
135.04413	9.5
137.02361	0.7
137.05983	3.2
141.06981	1.1
143.04987	0.6
143.08583	6.6
145.06496	2.9
146.07269	1.5
147.04416	39.4
147.08054	35.8
148.05174	1.3
149.05981	6.0
149.09697	0.5
151.07558	0.8
152.07787	0.4
153.06850	0.5
155.06039	0.8
157.06448	1.2
159.04474	1.1
159.08098	1.4
160.05261	0.8
161.06001	3.4
161.09633	10.1
163.03912	11.0
164.07051	3.3
165.05486	1.7
165.07257	1.3
165.09100	1.3
166.09464	0.6
167.08577	0.5
170.07220	0.6
171.04378	0.5
171.08044	12.8
173.06017	1.8
173.09772	0.5
174.06764	3.1
175.07530	3.7
177.05582	2.1
177.09120	1.4
185.06035	3.6
185.09677	1.2
187.07535	2.9
189.09116	100.0
195.08055	1.7
197.06001	0.8
197.45863	0.5
198.06778	1.3
199.07558	1.1
201.09148	2.9
202.07779	0.6
207.08031	0.6
211.07457	0.8
213.05785	0.5
213.09126	8.3
215.06972	0.9
219.08109	0.6
223.07503	0.6
225.09132	1.0
229.08617	1.9
231.08121	0.7
235.07391	0.8
235.11151	0.8
245.09671	1.6
247.07515	1.0
249.09077	0.5
251.06914	0.8
253.08513	1.3
255.06450	0.9
256.07278	0.8
261.09167	1.2
262.09912	1.3
263.07312	0.5
263.10626	1.2
267.06720	0.7
267.10303	1.0
269.08148	1.3
273.09103	0.6
274.09937	1.9
277.12280	0.7
280.07443	1.0
280.10767	0.5
281.08075	0.8
281.11481	0.7
287.06995	0.5
290.09409	1.7
291.10156	1.2
291.19479	0.8
293.08087	1.7
294.08884	0.9
295.09637	5.8
295.13284	7.7
305.11731	11.8
308.10248	1.2
322.69501	0.5
323.12784	48.9
331.23700	1.3
332.24072	1.9
333.08694	0.5
338.06439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1278
Annotation	3,4-Didehydroglabridin
Peak:m/z	Relative Intensity
50.89199	0.8
53.90873	0.8
54.03517	0.9
55.01867	1.4
55.05505	1.1
57.03436	1.1
67.05505	3.0
67.76964	0.8
69.07073	1.3
71.55892	0.9
79.05499	4.1
81.07056	2.7
85.02891	2.5
91.05472	7.6
93.07036	2.2
95.04965	2.8
95.08620	1.8
97.06524	1.1
98.97589	3.2
105.07020	4.3
105.77795	0.8
107.04977	2.0
109.06528	1.9
109.10180	1.0
115.05470	1.0
116.98598	2.6
117.07065	1.3
119.04933	2.3
119.08581	3.9
121.06550	1.1
123.04436	28.4
123.11785	0.8
128.06224	2.8
129.07106	1.0
131.08583	1.6
133.10129	2.9
135.04457	2.0
135.08128	1.8
143.08606	4.9
145.10133	1.3
147.04420	22.1
147.08057	31.5
147.11633	0.8
161.09641	3.6
163.03909	1.3
171.08069	9.1
189.09122	100.0
198.06807	1.2
213.09169	9.5
227.04649	0.8
258.99808	2.9
277.00864	3.8
277.23120	0.8
291.19370	2.6
305.21176	1.8
323.05792	1.2
323.09650	1.3
323.12787	22.5
323.22974	1.5
323.27267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
53.03945	0.5
55.01876	0.9
55.05503	2.2
56.96564	1.6
57.07038	0.5
66.42547	0.4
66.78740	0.4
67.05510	1.7
69.03428	1.3
69.07062	2.2
69.95906	2.0
71.05002	0.8
79.05497	3.0
81.03409	0.9
81.07066	4.5
83.05003	1.1
83.08647	0.6
85.02891	0.9
90.86142	0.5
91.05488	3.5
93.07060	2.6
94.04198	0.7
95.04955	0.9
95.08643	2.7
97.02885	0.6
97.06525	0.7
98.97610	3.6
103.05485	3.0
105.06380	0.9
105.07041	10.7
107.04959	1.0
107.08611	2.3
109.06527	2.9
109.10155	2.4
115.05469	2.8
116.98629	1.3
117.07014	0.8
118.00706	0.5
118.04163	0.6
119.04893	0.6
119.08579	1.6
121.06509	0.8
121.10165	1.1
122.03650	1.3
123.04413	0.8
123.11691	0.9
128.06226	1.2
129.07010	1.2
131.04919	1.8
132.05684	0.5
133.06500	6.0
133.10126	0.9
135.08000	0.5
135.11682	0.7
137.05991	23.7
137.09480	0.5
139.05481	0.6
143.04964	0.9
143.06046	0.9
143.08569	0.5
145.10139	0.9
146.03641	4.2
147.04430	1.8
147.08047	0.7
149.05998	1.4
151.03995	0.6
159.07996	0.8
159.11760	0.7
161.05994	65.8
161.13304	0.7
162.06700	0.7
163.11148	0.6
163.14888	0.5
165.07056	0.6
167.04935	1.2
167.08543	0.6
171.08086	0.9
173.01303	0.5
175.07547	1.1
177.00688	0.6
177.05565	0.5
178.07730	0.8
181.06497	0.9
184.05182	1.5
189.07034	1.2
190.07770	0.9
191.08589	3.1
192.09305	1.9
199.07550	10.8
201.00786	0.7
202.05824	0.6
202.07779	16.7
203.08580	26.8
204.09346	1.7
205.06511	2.5
207.08124	1.0
213.06998	1.0
215.08601	1.4
217.10164	0.6
218.07335	0.8
219.08083	8.8
220.08844	10.1
221.06367	0.5
221.09734	0.7
222.06796	0.8
230.07275	4.5
231.08067	44.2
232.08830	7.7
233.06021	0.7
233.09560	0.6
235.07576	1.0
235.11226	1.6
237.09085	1.0
244.99864	0.5
245.09647	1.5
247.07568	6.6
248.05762	1.2
248.08345	23.2
249.09117	2.1
258.06830	4.4
259.07568	34.0
260.08347	23.6
261.09106	1.6
262.09985	2.0
262.87680	0.6
263.10690	19.6
265.08554	2.9
273.09137	1.5
274.10068	0.7
275.07019	4.1
276.07809	16.6
277.08539	4.2
290.09317	0.8
291.10175	100.0
292.10861	4.9
293.08188	3.7
295.09799	1.0
295.13394	1.9
304.17267	0.5
305.24863	1.3
308.10458	3.5
315.08600	1.2
323.09686	2.6
323.12796	64.9
324.12921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1279
Annotation	Bauhinoxepin A
Peak:m/z	Relative Intensity
53.03934	0.2
55.01852	0.2
57.72717	0.1
58.36076	0.2
65.03918	0.2
69.94755	0.4
69.95150	0.2
77.03898	0.1
85.02879	0.2
91.05481	1.1
93.03365	0.2
96.66515	0.2
98.97547	0.4
105.03358	0.3
107.04962	1.9
115.05418	0.2
119.04921	0.6
121.02900	1.1
129.07001	1.0
141.06972	0.2
145.02829	0.4
149.02325	1.4
152.06223	0.2
153.06921	0.7
155.08504	0.9
157.06499	1.8
161.02356	0.8
163.04028	0.2
164.92125	0.2
165.07016	2.8
168.05658	0.3
169.06454	0.3
173.05991	0.4
183.08031	1.1
185.05922	0.6
193.06487	0.5
194.07236	0.2
195.04422	2.9
197.06000	0.2
211.07562	1.3
213.05539	0.2
221.05969	0.8
237.05464	0.2
239.07036	4.4
240.07661	0.2
249.05482	0.7
259.40628	0.2
267.06512	100.0
268.07028	1.5
277.00879	0.2
277.21924	0.2
323.12775	54.9
324.13025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.1
57.03415	1.0
58.06585	0.7
61.02918	1.2
67.05478	0.9
68.62464	0.6
69.03437	3.1
69.07030	0.6
69.77270	4.2
70.06570	2.3
72.08121	1.4
73.02908	1.6
79.05444	0.9
81.03396	1.8
81.07040	0.7
84.04494	1.5
84.08141	1.5
85.02908	4.9
86.09712	0.8
91.05452	2.2
93.07032	1.3
95.04955	0.9
97.02872	2.1
98.97573	1.7
107.04951	1.2
112.07555	0.9
117.44248	0.6
119.04896	1.4
120.08057	0.7
121.06525	7.9
127.03856	0.8
128.50098	0.7
130.04974	1.2
130.06497	0.9
136.07549	2.1
137.05914	2.1
138.09149	0.9
140.07047	2.0
146.05978	2.0
147.04393	2.8
148.55824	0.9
161.02109	9.7
163.03899	0.8
164.07056	1.8
174.05434	0.8
177.05383	1.4
178.03186	0.8
185.02574	0.9
185.04221	16.5
186.07445	0.6
203.05309	4.2
232.05977	1.2
233.09248	1.2
242.07994	0.7
249.08626	3.9
263.10187	1.2
269.12897	1.1
287.13815	0.9
305.11539	1.1
305.14819	2.4
323.07230	21.2
323.10931	100.0
323.16760	2.7
324.10550	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96608	1.0
57.03442	2.0
61.02934	2.5
69.03432	9.0
69.60966	7.0
70.06583	1.2
71.80190	1.0
72.08154	1.0
73.02922	2.7
81.03436	3.6
81.06989	0.9
85.02914	17.3
97.02924	7.6
98.21455	1.6
99.04517	1.6
108.38094	1.1
109.02928	2.4
127.03915	2.8
136.07619	3.0
137.06039	2.9
138.06377	1.4
143.01042	2.3
145.05000	2.4
161.02122	37.7
163.03955	1.5
164.07117	1.5
185.04236	60.5
197.03131	1.8
203.05286	17.0
211.67720	1.1
221.03073	1.9
233.03023	1.7
249.08873	1.9
251.04141	1.9
259.14545	1.7
269.13022	1.2
305.15048	3.7
323.07443	100.0
323.11163	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23573	9.1
80.91956	2.8
93.52172	2.7
94.92989	3.1
114.89157	2.7
117.38203	2.6
167.89221	2.6
220.48091	2.7
261.37817	2.9
263.06366	4.1
323.07382	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0973
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
55.05509	5.1
57.03440	7.6
59.04985	1.4
67.05506	4.2
69.03426	5.5
69.07078	2.2
71.01348	4.7
71.05003	17.1
71.56600	1.7
73.02914	4.2
73.41291	1.3
75.04478	8.4
75.04832	1.3
79.05492	3.0
80.53524	1.4
81.03418	2.3
81.07068	3.7
83.04976	9.4
83.08646	1.3
85.02910	100.0
85.06557	2.2
91.05496	3.5
93.07030	1.6
95.01325	13.5
95.04981	3.5
95.08606	3.1
97.02883	5.6
97.06538	1.4
97.10141	1.2
98.97582	1.8
99.00826	1.8
101.02387	1.7
101.06073	1.4
103.03990	2.2
105.07021	1.7
107.08631	2.3
109.02874	2.3
109.10143	1.7
111.04454	7.3
113.06051	2.8
117.07018	2.5
121.02847	1.5
121.10110	1.7
129.05501	14.1
137.02367	2.7
137.05962	1.8
141.01842	33.0
141.16122	1.2
145.80185	1.3
147.06534	7.8
153.05495	1.4
155.03387	1.9
155.08646	1.2
157.04958	3.1
159.02946	6.2
159.11638	1.8
165.07417	1.8
171.06577	2.8
201.03853	1.6
213.07610	1.7
224.96213	1.5
230.89700	1.3
259.08115	2.6
264.89114	1.2
269.06592	2.0
273.18527	2.2
274.94748	1.2
287.07733	2.4
290.14664	1.4
291.10147	1.4
291.19586	2.9
305.08704	4.8
305.21313	3.2
322.68973	1.5
323.05692	1.7
323.09238	5.8
323.12759	2.6
323.23163	3.1
323.27161	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	323.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.5
56.96574	4.1
57.03450	13.7
67.05499	10.5
69.03429	5.5
69.07074	3.9
71.05004	18.2
71.56720	3.3
73.02905	2.5
75.04478	9.9
79.05480	7.6
81.07062	8.3
81.22282	2.7
83.04984	12.2
85.02917	100.0
91.05490	8.0
93.07046	5.6
95.01324	19.0
95.04915	3.9
95.08616	6.2
97.02924	3.9
97.10210	3.6
98.97590	9.5
99.04476	3.0
105.07069	6.3
107.08564	3.8
109.02888	4.0
109.06522	4.3
109.10168	2.9
111.04443	9.2
113.02367	3.7
116.98654	4.2
119.04965	3.2
119.08572	5.8
121.06477	4.2
123.04449	10.1
125.09558	2.7
129.05492	17.8
130.19174	2.6
131.08540	3.4
133.10165	3.2
141.01851	29.6
145.10110	4.3
147.04425	17.2
147.06532	11.2
147.08028	14.8
159.02858	4.7
161.09628	3.6
163.03894	8.2
164.07028	4.0
170.65346	3.0
171.08075	2.7
189.09126	30.9
201.04050	3.8
213.09171	3.4
226.98102	2.5
267.06427	11.8
277.01096	3.2
280.07419	3.3
287.07645	5.3
291.19595	10.8
295.13043	4.2
305.08716	4.5
305.22006	3.4
323.09177	8.1
323.12778	29.5
323.18384	4.2
323.23502	6.5
323.27124	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	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31475	1.0
53.03945	1.0
55.05503	2.7
57.07073	3.0
59.05008	1.3
60.04513	2.1
62.06094	100.0
67.05509	15.9
69.07067	3.5
71.54906	1.7
72.04543	1.0
76.02228	3.3
79.05497	11.9
81.07060	14.4
83.08617	1.4
84.04487	1.7
90.05578	1.8
91.05489	5.5
93.07054	15.9
95.08620	15.8
98.97583	2.6
105.07040	6.9
107.08613	7.5
109.10153	5.3
116.98666	1.3
119.08581	2.2
121.10125	5.9
123.11719	1.9
130.05045	1.7
130.08481	1.0
131.08620	4.6
133.10124	1.3
135.11708	3.4
140.03726	1.1
144.10201	1.0
145.10127	2.6
147.11707	1.6
149.13283	1.7
152.38451	1.0
158.02740	4.2
159.11702	2.1
161.13264	1.8
163.14798	1.9
164.07115	1.5
173.13335	1.2
173.60007	1.0
176.03673	1.5
177.16380	3.0
186.14886	2.3
193.06401	4.7
200.16429	1.1
226.18172	1.1
240.19736	1.1
243.21127	5.2
253.10811	1.2
261.22220	6.7
278.12320	1.0
304.26392	2.9
305.24667	3.0
322.11322	3.5
322.15027	1.2
322.27606	26.5
331.23822	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.144
Annotation	Pyriproxyfen
Peak:m/z	Relative Intensity
51.02381	0.4
53.03931	0.8
54.32369	0.3
57.07077	0.5
64.73988	0.3
65.52814	0.3
70.72742	0.6
70.73080	0.4
71.08643	0.3
77.03939	0.4
78.03455	1.2
79.05531	0.4
81.07028	0.3
85.10185	0.5
89.06044	1.9
91.05473	1.4
95.04961	1.1
96.04498	100.0
97.04853	0.4
98.21440	0.3
98.55416	0.3
105.04530	0.4
105.07052	1.7
115.05460	0.6
119.04955	6.0
122.59428	0.3
128.06238	0.9
129.07014	7.0
133.06502	2.1
133.08627	0.4
134.06271	0.3
134.07278	7.3
136.07536	1.5
141.07014	1.3
151.09663	1.6
157.06526	1.4
170.07307	0.5
181.06613	0.4
185.05991	12.3
193.06543	0.4
199.07474	1.4
209.09898	0.3
227.10689	11.1
227.12976	0.5
322.14377	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	322.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
54.26141	1.6
55.01867	4.8
55.05501	4.5
56.96564	3.2
57.03428	5.8
67.05508	6.2
69.03419	5.9
69.07071	5.5
70.85205	4.1
70.85555	2.3
79.05500	20.3
81.03433	2.3
81.07059	28.7
83.01326	2.0
85.02898	6.8
86.07962	1.7
91.05486	14.6
93.07042	8.5
95.01348	9.5
95.04961	8.3
97.06539	18.3
98.97723	2.0
101.02397	2.1
105.07031	5.3
107.04949	5.3
107.08595	2.7
109.06508	17.7
111.04441	2.5
111.08127	2.6
113.02377	2.6
115.05496	2.2
117.07043	3.0
119.04948	6.0
119.08584	8.4
120.05285	2.2
121.02885	2.7
121.06504	4.1
123.04410	3.4
123.08095	2.1
125.06002	4.2
129.07002	2.6
131.08566	2.6
133.06372	1.9
135.08072	3.8
137.06006	7.2
139.03896	8.5
141.01778	3.2
145.06508	3.2
145.28986	2.0
147.08044	10.9
149.05981	5.9
151.92653	2.0
153.05484	2.0
155.07034	4.9
163.07512	9.3
164.07133	3.1
165.09105	19.3
167.06978	2.2
175.07541	3.4
178.08748	2.7
181.08630	6.2
183.10098	2.7
191.07022	3.8
192.03317	3.2
193.06837	2.5
193.08612	17.2
197.04419	3.5
199.09641	8.6
200.54082	1.8
209.08095	10.4
211.09610	14.5
227.09131	9.6
233.11697	3.1
237.07597	5.6
245.44003	1.8
246.11234	1.9
255.08646	100.0
259.08929	1.9
273.09689	6.5
276.36755	2.1
287.11215	1.8
304.18912	6.6
306.14069	2.7
322.08051	2.1
322.15512	11.2
322.20013	9.6
322.65479	3.0
323.09006	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	322.1287
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
55.01871	3.1
62.87897	0.4
68.05022	0.6
69.88795	1.9
69.89165	0.8
70.02928	0.7
70.06580	0.5
73.02900	0.4
79.05499	0.4
84.04510	2.8
85.02906	0.6
88.75014	0.4
91.05477	0.9
100.04014	0.5
103.05433	1.1
105.66423	0.5
115.05457	6.8
117.07007	3.1
121.11811	0.4
122.83110	0.4
128.06230	3.8
129.07019	11.0
130.05034	1.0
130.06561	1.0
131.04945	1.9
131.08600	0.6
131.25073	0.4
132.08038	0.5
137.05923	0.6
141.06996	5.3
142.06505	0.6
143.04948	2.0
143.07545	0.6
143.08522	3.2
144.08069	0.9
145.06470	1.7
146.06084	0.5
148.07603	0.5
152.06195	2.0
153.06998	10.5
154.06499	0.7
154.07730	1.6
155.04916	1.4
155.06044	1.0
155.07457	0.6
155.08560	11.2
156.08064	2.1
157.06497	3.0
157.09004	0.5
158.06041	0.6
159.04379	0.5
160.07574	0.8
165.07007	2.7
165.96841	0.4
167.07281	1.6
168.08116	1.4
169.06451	1.7
170.09624	1.7
171.04436	0.9
171.08046	4.7
173.05981	0.8
174.09106	0.7
180.08069	7.4
181.06480	9.8
182.07286	1.0
182.09666	2.2
183.04462	0.6
183.06671	0.7
183.08072	5.9
184.07549	2.3
185.05965	0.8
185.08347	0.6
186.09160	1.7
193.06383	0.9
196.07587	0.6
197.05989	1.3
197.08417	0.5
198.06731	0.6
198.09105	2.5
199.07542	3.1
199.09908	0.5
200.10666	1.0
201.07787	0.7
202.08711	0.7
208.07645	4.1
209.05986	6.2
210.09036	0.7
211.10187	0.4
212.07025	0.8
213.07881	0.5
216.10188	1.0
227.07033	9.2
227.09183	0.4
272.09186	2.4
274.10687	0.7
290.10220	1.2
322.12857	100.0
323.13290	0.9
343.10266	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2427
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
52.39878	0.7
55.01867	0.9
55.05526	4.1
56.96557	1.2
57.03426	0.7
57.07073	2.2
67.05507	4.2
69.03448	0.6
69.07078	5.0
69.78844	3.3
71.04998	1.3
71.08629	1.8
79.05508	3.3
81.07062	7.3
83.04984	0.9
83.08627	3.2
85.02903	1.0
85.06518	1.2
91.03922	0.7
91.05490	2.9
92.02631	0.6
93.07059	5.4
95.04938	0.7
95.08601	7.6
97.06534	1.1
97.10172	1.0
98.21475	1.1
98.97578	0.7
99.08092	1.1
105.07047	2.2
107.08604	4.4
109.06528	11.8
109.10161	3.3
111.08065	1.2
119.08594	2.9
121.10114	3.3
122.07288	1.3
123.08078	42.7
123.11674	1.4
125.09668	0.7
131.08580	1.4
133.10136	1.7
135.08057	5.2
135.11713	0.7
137.05962	0.9
137.09628	2.4
145.10144	1.6
147.11714	1.0
149.09644	1.2
159.11726	1.0
161.13263	1.1
163.11206	0.6
165.12788	1.4
167.14362	0.6
176.69626	0.6
179.14323	51.6
180.14702	0.7
182.11014	0.5
187.14861	0.8
193.15916	1.0
203.12907	0.6
205.15877	1.2
235.17003	0.6
247.17117	0.7
261.22064	1.0
265.17999	11.9
272.20071	0.8
303.23285	2.5
317.17944	2.7
321.24252	100.0
322.24582	1.3
335.19040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1289
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
55.01872	2.7
56.05029	0.8
56.37241	0.5
60.04522	0.5
60.97758	0.4
68.05002	0.4
70.06606	0.8
71.22212	1.0
72.08154	0.7
76.02219	1.2
84.04502	3.7
84.08165	0.6
85.02888	0.9
85.04819	0.6
88.11264	0.8
90.05547	1.0
91.05497	0.9
95.04869	0.5
96.04529	0.5
103.05485	1.4
115.05460	6.9
117.07025	2.3
128.06248	3.4
129.07019	10.5
130.05026	1.4
130.06543	1.3
131.04900	2.4
131.08583	1.0
132.08179	0.4
133.06488	0.5
137.05945	1.1
141.07016	5.6
142.06558	0.5
143.04938	2.1
143.07428	0.9
143.08575	3.2
144.08081	1.2
145.02809	0.5
145.06508	1.5
146.06038	0.8
146.74309	0.5
152.06186	2.2
153.07005	10.2
153.08209	0.8
154.07765	1.5
155.04898	1.4
155.05959	0.9
155.08572	12.0
156.08153	2.4
157.06490	2.6
157.08908	0.6
158.02751	0.9
158.06050	0.6
159.04443	1.0
160.07631	0.5
165.07011	2.7
166.07834	0.8
167.07310	1.8
167.08603	0.9
168.05736	0.6
168.08104	1.9
169.06514	2.5
169.08797	0.8
170.07260	0.6
170.09686	1.6
171.04436	0.7
171.08031	3.5
173.06052	0.7
173.08409	0.6
174.09131	0.9
177.05498	0.7
180.08107	7.0
181.06499	10.4
181.08788	1.1
181.10138	0.7
182.07321	1.3
182.09677	1.9
183.04527	0.6
183.08105	4.6
184.07541	2.3
185.05998	1.2
185.08353	0.6
186.09189	1.4
191.08592	0.5
193.06485	1.4
196.07558	0.7
197.06047	1.6
198.09160	3.1
199.07545	3.3
199.09659	0.7
200.10699	1.2
202.08716	0.7
208.07663	3.3
209.06020	7.3
210.09218	0.9
213.05476	0.6
215.07098	0.4
216.10252	1.1
226.08733	1.4
227.07057	8.3
227.09303	0.4
243.70908	0.4
244.09726	0.7
272.09192	1.8
274.10709	1.4
290.10254	1.3
322.12897	100.0
322.16330	6.5
323.07397	0.9
323.13147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88498	0.5
55.05521	0.7
57.03435	0.9
58.06607	1.2
67.05521	1.6
69.07073	3.0
70.84760	1.6
71.05004	1.0
72.04529	0.8
79.05498	1.1
81.03403	1.2
81.07059	3.5
83.04993	0.6
83.08627	0.8
85.02895	0.6
86.09714	93.9
91.05489	1.7
93.07059	3.0
95.08633	1.7
98.97598	0.8
103.05470	3.5
105.07051	2.4
105.17410	0.5
107.04962	1.3
107.08592	2.0
108.05824	0.5
109.02900	1.4
109.06495	0.6
109.10179	1.8
119.08595	1.6
120.08116	100.0
121.06522	0.8
121.10177	2.6
123.11653	0.7
127.11231	1.0
128.10732	46.4
131.04955	2.4
131.08521	0.6
133.10138	1.2
135.11699	1.3
137.05984	0.8
137.84111	0.5
141.77165	0.7
145.02820	0.7
145.10191	0.9
147.11707	0.9
149.05991	1.8
156.10219	15.1
157.12256	0.8
163.03864	0.7
165.12784	0.7
166.08656	63.2
167.10579	0.7
181.63756	0.6
203.02802	1.2
204.03047	2.8
232.02527	0.5
245.10408	0.9
265.08575	1.1
289.08279	0.7
293.08005	3.3
303.23288	1.1
321.07486	4.6
321.11148	1.8
321.24234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01868	2.3
55.05508	8.0
56.96565	4.0
58.06595	5.6
59.29374	1.3
64.58263	1.2
65.03928	2.5
67.05506	10.8
69.03430	3.7
69.07063	6.6
70.06595	2.9
71.04983	2.2
72.08125	1.5
73.02914	1.6
79.05490	6.0
81.03427	9.4
81.07062	15.0
83.04982	3.6
83.08630	1.3
84.04494	2.3
84.08138	1.8
85.02904	5.9
86.09713	1.6
91.05479	21.4
93.07049	16.9
94.06586	6.5
95.04957	3.8
95.08616	14.1
95.53120	1.2
97.02895	2.2
97.06553	4.2
97.10172	3.6
98.97596	5.1
105.07040	12.5
107.08611	13.9
108.08098	3.2
109.02892	7.0
109.06510	2.7
109.10145	9.3
110.06037	1.4
111.04441	2.2
111.08090	2.6
116.98631	1.6
117.07023	3.2
119.04945	3.3
119.08595	9.3
120.08075	1.3
121.02873	2.2
121.06488	5.4
121.10149	10.5
122.06006	8.7
123.04452	2.1
123.08051	2.9
123.11691	1.7
124.07613	3.1
125.09644	3.9
126.09216	1.4
127.03889	2.3
131.08588	4.6
133.10124	7.9
135.11700	6.4
136.07571	5.5
137.06001	4.5
137.09641	2.4
138.05508	1.6
138.09143	5.4
139.03902	2.6
143.01881	1.6
143.08537	2.7
144.09320	1.6
145.02858	5.4
145.10094	7.1
147.04407	3.7
147.11684	7.1
148.03983	1.5
149.09619	2.4
149.13242	3.6
151.07536	1.9
151.11200	3.2
152.14340	2.3
157.10170	3.6
158.99539	1.8
159.11696	6.7
161.13304	4.0
164.07092	16.6
165.12766	2.1
166.04996	2.2
166.15929	2.2
167.08476	1.5
169.06560	1.5
169.08760	1.5
173.07030	2.4
173.13345	1.8
174.09148	2.6
175.14853	3.1
177.00607	1.3
177.05496	7.9
182.08115	2.5
184.11147	1.3
187.14870	6.9
188.10721	3.3
190.08621	4.0
191.14456	1.8
192.17511	3.1
199.14832	1.8
201.13904	5.9
201.16342	1.8
202.08615	4.7
202.12291	5.4
205.06505	2.1
205.15834	1.7
207.08078	1.5
209.20071	2.1
210.14891	3.0
212.10719	7.9
214.12445	2.8
216.10167	5.1
217.75468	1.5
219.01778	2.5
228.08948	2.9
229.13370	25.4
230.11771	15.9
231.08270	2.0
232.09184	1.7
235.07520	1.5
237.02841	2.4
237.09239	1.7
240.10284	1.9
242.10423	2.2
243.17325	1.4
244.09538	2.5
245.10443	2.4
247.07483	1.6
251.10640	1.6
253.19173	5.7
257.12866	82.2
257.22565	2.0
258.11252	72.9
259.14468	4.4
261.09219	2.2
261.22397	1.5
265.08514	3.2
267.10254	2.6
267.17102	1.5
267.21188	1.8
271.09656	2.4
274.13669	1.5
275.23807	1.9
278.09109	1.5
279.10208	2.7
280.10898	6.0
285.12366	12.3
285.22134	4.2
286.10626	8.3
289.08609	4.0
296.10425	3.3
303.10303	3.1
303.13397	62.0
303.17749	8.1
303.23141	13.5
304.11810	100.0
305.11819	2.7
306.08966	3.5
311.12738	3.1
312.22797	9.0
313.23044	2.3
321.07599	6.2
321.11130	21.6
321.15271	2.8
321.19009	18.2
321.24304	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	321.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.6
56.05049	1.8
56.96557	2.7
58.59276	1.2
61.04045	2.2
63.22878	1.1
69.03441	1.9
69.46682	6.3
69.47101	2.5
70.06590	2.3
72.04530	2.5
74.00676	2.8
76.02219	2.3
81.03410	1.5
81.04530	3.7
82.05324	40.0
82.06583	1.6
83.05708	1.1
83.06113	11.8
84.04504	35.0
84.08150	2.7
85.02896	3.3
85.08286	1.1
90.05556	12.6
91.05481	13.9
95.02434	3.7
95.04794	1.3
96.05620	2.4
97.02870	2.7
98.06055	2.4
98.97584	7.4
101.03490	5.7
107.04958	1.4
108.03220	3.2
109.00388	1.1
109.03992	2.9
112.02201	1.9
115.08630	1.2
116.01674	2.3
116.98627	1.1
119.04955	11.5
122.03532	17.8
123.01960	1.4
123.04343	7.5
124.05098	1.5
125.05842	5.1
126.05540	2.3
126.06637	6.3
127.03925	2.1
127.05011	4.1
128.98616	1.3
130.05014	17.6
130.06499	2.6
131.99327	2.1
134.05963	1.6
134.09195	1.3
135.04366	1.4
137.05983	100.0
140.01598	2.7
141.05333	16.8
144.06566	2.7
144.08054	1.9
147.04382	2.5
154.08653	10.6
158.02692	4.6
160.07591	1.7
164.07025	6.0
165.38699	1.4
168.04054	24.4
169.03516	2.0
169.04842	24.3
170.09419	2.1
171.09995	2.3
172.07587	1.6
172.10878	1.3
183.10027	4.1
184.10757	2.4
185.03828	5.9
186.05539	12.9
186.12509	1.3
188.07057	3.3
191.04872	6.9
193.06407	4.3
197.11583	3.8
198.05701	1.3
198.12698	3.5
199.13132	13.7
200.07080	32.0
200.10693	1.5
201.10989	2.1
204.03256	1.2
215.08159	8.9
217.09714	12.9
219.01741	2.2
225.03789	1.4
225.11031	2.7
226.12164	1.3
227.12602	2.2
231.04324	11.3
231.07732	3.2
234.12381	26.5
237.02606	1.5
243.07649	12.1
243.11938	2.0
249.03708	2.5
257.05743	1.6
258.08713	1.4
260.10300	13.9
261.08752	14.2
271.11731	6.7
277.12952	4.0
278.11313	4.1
289.12628	19.9
304.09259	29.1
321.11862	53.4
321.15253	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	320.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.4
58.06589	1.6
58.87490	1.6
59.87384	1.2
71.04974	5.7
71.57050	2.5
72.04507	1.7
72.08154	3.9
84.04513	1.8
85.02873	1.6
91.05474	2.2
115.05461	3.2
117.05723	1.4
128.06177	2.3
129.07022	9.2
130.06509	5.8
132.08009	1.9
134.05988	1.3
141.06932	2.7
143.07263	5.2
144.08037	4.6
153.06993	1.4
154.06473	4.3
154.07651	1.3
155.07338	3.1
155.08548	7.6
156.08105	24.1
157.06511	1.8
158.09674	31.3
160.07506	1.5
165.06978	2.6
167.07320	17.3
168.08093	18.4
169.08830	3.0
170.06021	3.0
170.09631	2.8
172.07596	3.5
172.11156	2.1
175.08647	2.0
180.03705	1.5
180.08081	4.2
181.06413	1.8
182.06013	3.7
182.09654	22.8
183.06709	4.9
183.08131	3.4
184.07596	100.0
185.08385	18.5
186.09155	13.7
192.08055	10.2
193.08955	2.4
194.09605	4.3
196.07643	6.8
197.08359	1.9
198.09158	12.6
199.09898	6.7
200.10727	93.7
202.12207	3.2
208.07704	1.5
210.07298	3.0
210.09157	40.7
211.09830	1.9
212.07005	4.0
214.06741	2.0
214.08646	25.1
221.09181	3.4
225.07791	2.6
226.08589	4.0
227.09433	3.9
228.10213	33.9
230.11717	2.6
238.08624	25.9
244.09726	3.3
246.11386	8.0
256.09723	41.5
270.11243	22.6
288.12329	63.5
302.15445	2.6
320.14880	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	321.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	12.2
55.01868	9.5
55.05515	25.8
56.96571	6.4
57.03436	21.3
57.03676	3.0
58.06591	4.9
61.02934	7.0
68.99760	3.5
69.03435	80.3
69.07053	3.3
69.15090	3.4
69.43891	3.5
70.06590	8.1
71.01331	4.6
71.04995	11.7
71.55387	6.3
72.04476	3.2
72.08166	5.2
73.02918	25.1
73.06174	5.8
73.06564	91.7
74.00659	4.7
76.02228	8.0
81.02978	5.5
81.03428	70.9
83.01334	3.5
83.04998	4.1
84.04513	41.3
85.02917	75.3
87.00832	19.1
90.05558	16.0
91.05470	9.2
97.02900	61.3
98.06063	3.7
98.97615	16.5
99.04472	35.1
101.06025	68.4
105.01892	4.6
109.02896	38.1
110.97581	5.2
112.02233	4.0
115.03942	3.9
116.01652	4.1
116.07133	4.0
116.98634	7.1
120.04453	3.6
123.42587	3.1
126.05554	5.5
127.03934	100.0
127.04937	7.5
128.98598	4.5
130.05013	25.4
137.06012	17.6
145.05009	7.3
147.04506	3.9
153.09096	3.7
158.02774	9.7
162.05516	6.7
164.06985	4.1
166.05046	3.9
169.08617	5.9
176.03743	3.5
181.01968	3.3
181.08583	6.2
185.03836	5.1
191.04880	7.1
193.06467	12.9
195.04980	3.5
199.09634	12.2
199.12999	4.3
213.03992	5.2
219.01740	5.0
231.05032	24.4
237.02811	14.5
265.86951	3.4
267.11212	9.9
271.11697	3.8
285.09781	6.9
285.12476	11.9
289.12564	7.2
303.10437	6.9
303.13522	12.5
321.11328	7.4
321.15027	33.1
343.33130	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	320.1495
Annotation	(2S)-(-)-7,8-Dimethoxyplatydesmine
Peak:m/z	Relative Intensity
65.66415	0.7
70.17925	3.6
79.05502	1.4
82.06586	0.9
82.33781	0.8
91.05486	3.1
98.97564	1.2
101.00868	1.6
103.05489	1.0
105.07030	1.0
106.06570	1.4
115.05437	1.4
118.06536	1.2
120.08105	1.5
128.06221	1.4
129.07004	3.1
130.06531	3.1
131.96111	1.1
132.08127	2.3
133.03511	2.0
133.08888	5.3
141.07050	4.1
143.08533	1.6
144.08061	5.7
153.07008	1.9
154.06512	2.3
154.07748	2.4
155.07320	1.8
155.08569	2.7
156.08151	4.7
157.08894	4.4
158.09671	1.9
166.07805	1.6
167.07332	2.0
168.08128	8.3
169.08882	7.3
169.10179	2.5
170.09660	14.2
171.10413	7.4
172.11243	9.5
179.08653	1.3
180.08127	1.5
181.08838	2.9
181.10242	1.1
182.09663	19.3
182.11185	1.4
183.10455	13.4
184.07709	1.1
184.11206	6.9
185.08406	0.9
185.12022	2.2
186.12827	3.6
193.08957	1.6
194.09641	1.0
196.11218	11.5
197.11925	5.8
198.09167	2.7
198.12799	68.0
200.10748	18.4
206.09630	2.3
207.10614	1.3
208.11272	5.6
209.08379	2.6
210.09148	2.0
211.09888	1.7
212.10759	2.4
214.12331	1.8
216.13820	1.4
218.02098	1.6
224.10718	17.7
225.11443	1.4
226.12271	12.1
229.01945	0.9
239.50664	0.9
242.11838	8.3
244.13367	5.7
247.03011	2.6
252.10147	1.6
270.11267	29.8
272.67453	0.9
288.12323	100.0
289.12717	1.0
320.14938	56.3
321.12045	1.1
331.63943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1494
Annotation	(2S)-(-)-7,8-Dimethoxyplatydesmine
Peak:m/z	Relative Intensity
69.59506	4.6
72.04505	0.9
84.04494	1.0
91.05457	0.9
93.24193	0.7
98.20719	0.8
101.63493	0.7
117.05782	1.7
117.06989	0.9
129.07028	4.5
130.06528	7.3
131.08667	0.8
141.06949	1.4
142.06477	1.3
143.06371	0.8
143.07298	5.4
143.08359	1.2
144.08087	7.6
153.06990	1.0
154.06514	1.9
155.07361	1.6
155.08595	2.8
156.08104	8.2
157.08929	4.3
158.09660	26.8
165.07018	2.1
167.07329	8.2
167.08594	1.7
168.08084	11.0
169.08882	2.8
170.06126	0.9
170.09651	3.5
171.08043	1.4
171.10458	1.9
172.07559	2.7
172.11192	3.6
181.08835	1.3
182.06161	1.1
182.09668	23.1
183.06735	1.1
183.08165	1.3
183.10426	4.5
184.07602	7.3
184.11220	2.3
185.08382	5.8
186.09178	6.3
192.08177	1.1
193.08934	1.1
194.09610	7.1
196.07581	1.8
197.08337	1.3
198.09192	4.7
199.09933	7.6
200.10715	59.9
201.10916	1.0
210.09140	18.4
211.09935	9.6
212.10699	8.9
214.08662	1.5
226.08699	4.4
226.12234	12.4
227.09430	4.8
228.10173	8.1
238.08603	3.3
241.11050	1.6
242.11745	6.2
244.13301	1.6
256.09717	8.0
261.71088	0.8
270.11313	4.4
280.13522	0.8
288.12311	100.0
289.12900	0.8
297.63522	0.7
320.14917	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45980	0.2
54.95348	0.2
55.01859	0.7
55.05505	0.2
65.93590	0.2
67.05490	0.2
69.07049	0.3
70.09332	0.8
70.09681	0.2
74.59186	0.2
79.05495	0.3
81.07030	0.3
85.02887	0.2
91.05477	0.2
93.07023	0.2
95.08597	0.4
97.02879	0.3
98.21421	0.2
98.97580	0.4
104.04969	0.2
109.02888	0.2
121.01121	0.2
131.06030	0.4
132.04445	0.4
134.00630	0.5
134.05998	0.3
135.01314	0.2
137.05991	0.5
140.84279	0.2
142.05257	0.6
144.05560	0.4
148.02141	0.4
149.00563	1.8
158.04745	0.3
159.05547	13.7
162.00063	0.2
163.00873	0.9
163.98065	0.2
171.05521	0.5
172.06335	1.1
175.00838	0.5
175.03262	5.6
176.01653	3.8
179.02768	0.3
185.08145	0.2
191.04910	0.2
199.31233	0.2
203.02742	100.0
204.03210	1.2
205.04236	0.9
224.06964	0.2
230.03879	0.4
231.02234	17.2
236.85860	0.2
248.04903	0.4
249.03310	4.3
256.07278	0.7
256.60379	0.2
260.04886	2.1
302.05933	4.0
320.06995	29.1
320.18344	0.8
321.07346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.8
55.05490	1.7
56.05013	1.0
57.31882	0.8
58.06579	2.1
59.00295	0.9
61.02908	1.4
69.03432	1.4
69.63341	5.3
70.06564	3.2
71.04987	4.5
72.04491	1.8
72.08145	4.5
76.73473	0.8
84.04472	2.5
84.08122	0.8
85.80489	0.8
87.04428	1.0
91.05434	2.5
98.20837	1.7
107.04935	1.0
107.98895	0.9
115.05396	3.7
116.07047	3.8
117.05720	1.9
120.08064	2.6
123.04436	0.9
128.06207	1.3
129.06992	8.6
130.04994	1.2
130.06528	7.4
132.08014	1.8
134.05997	1.0
135.06781	1.1
137.05930	1.2
138.06279	1.0
141.06923	2.5
142.06456	2.7
143.07236	6.6
143.08347	1.7
144.08081	4.9
153.06917	1.8
154.06438	5.4
154.07602	1.3
155.04927	1.5
155.07317	1.3
155.08514	9.3
156.06770	1.2
156.08080	22.3
157.08730	2.6
158.05946	3.4
158.09663	29.0
160.07483	1.6
165.07021	4.4
167.07312	15.1
167.08540	1.7
168.06824	1.0
168.08083	15.2
169.06413	1.8
169.08772	3.2
170.05904	3.6
170.09567	2.9
171.06770	1.1
171.08060	1.7
171.10191	0.8
172.07521	3.7
172.11140	2.8
175.08566	3.6
180.07973	3.5
181.06326	1.0
181.08878	1.7
182.06078	5.7
182.09650	22.4
183.04271	0.9
183.06642	4.0
183.08124	4.6
183.10379	2.1
184.07581	100.0
184.10927	2.5
185.05827	1.0
185.06839	1.0
185.08348	19.8
186.07770	0.9
186.09129	11.6
192.08116	6.8
193.08788	1.6
194.09665	6.1
196.07584	6.6
197.08295	3.9
198.07652	1.1
198.09158	14.5
199.09909	4.8
200.10709	92.8
201.10999	1.0
202.12251	1.3
203.08154	1.3
208.07555	2.3
209.08276	2.0
210.09142	40.2
211.09818	1.7
212.06966	3.4
212.10606	2.0
214.08635	27.1
221.09132	4.6
225.07779	1.4
226.08542	3.3
226.12215	3.3
227.09451	5.5
228.10196	32.9
230.11592	2.5
238.06303	1.3
238.08612	20.5
240.09888	0.9
242.11644	5.5
244.09595	2.3
246.11279	8.7
256.09674	40.6
270.11227	21.6
286.64624	5.6
288.12296	58.3
295.15854	1.0
300.14917	1.4
302.15167	3.9
320.14777	55.5
320.22226	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	319.0815
Annotation	Acremonidin E
Peak:m/z	Relative Intensity
53.03924	0.3
55.01865	0.3
55.05519	0.3
56.96555	0.4
57.03442	0.3
65.03931	0.4
67.05503	0.4
69.07073	0.6
69.77154	0.5
69.77562	1.2
77.03925	1.8
79.05474	0.3
81.03413	0.4
81.07074	0.4
85.02893	0.5
87.95076	0.2
91.05489	0.4
93.03421	0.5
93.07040	0.5
95.04967	0.7
95.08611	0.6
98.97575	0.5
105.03382	0.4
105.07005	0.4
109.02892	7.6
109.10196	0.4
111.04438	0.3
121.02898	0.4
121.06497	0.3
121.10128	0.4
133.02858	5.6
133.10114	0.3
137.05988	0.3
144.08151	0.3
147.00771	0.9
149.02356	1.5
150.00853	0.3
151.03915	7.5
165.01863	0.8
177.01843	16.3
195.02904	100.0
196.03268	0.9
201.05490	1.0
233.08199	0.4
238.15062	0.3
246.88953	0.3
265.25595	0.3
301.07132	2.7
314.72760	0.3
319.08127	37.8
319.19345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.6
55.01870	1.2
55.05493	1.5
57.03439	1.5
57.07058	0.6
61.01183	0.6
67.05506	2.1
68.99809	1.2
69.03433	25.1
69.07049	1.1
71.04998	20.0
71.55894	1.0
76.02247	1.0
79.05492	0.8
81.03421	100.0
81.07062	1.7
82.71551	0.6
84.04487	1.0
84.08161	1.6
85.02913	3.1
87.00829	4.6
91.05489	2.0
93.07064	1.3
95.04924	0.9
95.08625	1.5
97.02905	3.5
97.10132	0.8
99.04454	11.4
105.01884	1.4
105.07045	0.9
107.04970	2.3
107.08611	1.5
109.02884	29.0
109.10159	1.7
111.04469	0.6
115.03921	0.8
119.08617	1.4
121.10104	0.8
126.05609	0.6
127.03923	18.2
127.04810	1.2
133.10141	2.1
135.11691	1.0
137.05962	1.1
137.09766	0.8
144.06593	0.8
145.04985	2.5
145.10127	1.2
151.03932	1.6
158.02739	1.7
159.02942	1.2
159.08401	4.0
159.11859	0.7
163.11176	0.7
164.07159	0.7
176.03583	1.1
177.52339	0.8
183.02908	1.9
185.04486	1.3
193.06413	1.0
213.05527	0.9
231.05040	3.3
245.08192	1.0
259.10883	0.9
273.07684	1.2
283.10840	0.8
301.11902	5.2
301.15842	6.3
319.09662	0.7
319.13007	3.4
319.16718	1.7
319.23605	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
56.96564	1.3
60.08169	25.4
60.08473	1.4
70.06604	1.0
71.57157	0.7
72.08150	1.3
81.07037	0.7
84.04507	2.5
84.08144	0.7
86.09708	0.8
91.05466	1.2
95.04980	0.6
98.97588	1.0
107.04949	1.6
110.07147	0.6
115.05476	1.5
116.05813	0.7
120.08146	1.0
123.70302	0.5
124.07611	0.7
128.98485	0.5
129.06989	2.6
129.25064	0.5
130.05002	1.0
130.06537	5.3
135.04419	0.7
136.07478	0.7
137.05989	3.1
138.06293	1.9
138.09157	0.5
139.06551	1.5
140.06778	0.9
142.06380	0.6
143.04939	1.3
144.05286	1.1
144.08095	4.4
146.05867	1.1
151.07605	0.7
154.06516	18.7
155.07292	1.2
156.08093	16.1
158.06024	2.9
162.05467	0.5
163.03914	2.0
163.06108	0.8
164.06833	0.5
165.07213	0.9
166.05038	1.2
170.06003	1.0
172.07596	4.6
176.07986	1.4
177.08044	1.1
178.08563	2.9
179.09009	3.6
180.09203	3.7
181.09464	3.4
182.06029	100.0
183.02826	0.7
183.06734	2.9
184.07593	6.9
185.02048	0.6
186.09114	1.8
190.08710	1.5
194.07153	0.6
195.90105	0.6
198.09203	0.7
200.07088	10.7
200.10728	0.8
202.08685	0.5
202.12259	1.4
210.05545	5.0
210.09122	0.9
214.08681	2.9
216.10245	1.8
218.07996	0.6
223.12398	0.6
226.11040	0.8
227.11755	1.0
228.06650	2.5
230.11772	1.0
241.04997	0.9
242.08150	27.0
246.11240	3.9
255.11382	1.5
259.07016	0.8
260.09210	99.9
261.09329	0.6
269.12784	1.6
270.10077	0.6
272.11493	1.3
273.07605	1.3
273.12473	2.3
283.10803	1.2
288.12030	0.6
292.09384	0.5
299.14786	1.3
301.11850	6.0
301.15314	8.6
302.13638	2.8
319.11908	5.0
319.16412	21.7
320.15021	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	318.1703
Annotation	Zaidine
Peak:m/z	Relative Intensity
50.83355	0.4
55.38401	0.4
60.32288	0.4
69.86155	1.9
70.06531	0.4
75.51151	0.3
77.24013	0.4
85.02871	0.7
85.06532	0.8
87.40128	0.4
88.51837	0.4
121.02894	0.7
137.05940	0.6
139.03886	1.0
151.07501	0.7
161.05917	0.5
179.08617	0.9
181.06361	0.4
182.09654	0.5
184.07571	0.4
187.07538	1.0
190.08614	0.6
195.08284	0.4
200.07024	0.7
203.57164	0.4
207.08110	0.7
208.11157	0.8
210.09154	0.7
213.09296	0.6
214.12253	0.7
215.09357	4.7
216.10222	1.9
219.08154	0.5
222.09268	0.7
225.09042	0.8
226.08702	1.2
226.12170	0.5
227.09338	3.0
228.10231	6.0
230.11807	0.8
236.10703	1.4
237.11656	0.6
238.08571	0.7
239.10803	0.9
240.10173	0.5
242.11789	9.4
243.12665	0.8
252.10323	1.1
253.11040	2.6
254.11804	4.1
255.12578	1.1
264.20865	0.4
268.13342	9.8
269.14160	5.0
270.11301	9.6
270.14789	1.4
284.12930	0.7
285.13602	2.7
286.14355	2.8
300.15976	62.5
301.16357	1.0
318.17026	100.0
319.17371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19460	1.1
70.39421	4.0
91.05500	3.1
117.05768	1.7
118.06541	1.6
121.06490	1.3
125.02391	1.3
129.07014	2.9
130.06561	5.9
132.08080	1.8
141.07063	2.5
143.07324	2.1
144.08102	3.8
151.77232	1.2
152.06290	2.4
153.06985	2.1
154.06619	5.8
154.07710	1.8
155.07393	6.7
155.08519	2.4
156.08128	11.5
157.08875	5.1
158.06056	1.2
158.09659	3.4
165.07062	1.7
167.07323	6.6
167.08592	4.3
168.08102	22.4
169.08914	14.2
170.09639	19.4
171.06810	1.1
171.10442	1.7
172.07607	5.0
172.11278	1.6
173.08417	2.0
179.08592	1.3
180.08148	5.5
181.06480	1.6
181.08891	7.2
182.09642	9.0
183.06836	3.8
183.10463	8.3
184.07605	9.2
184.11226	26.1
185.08380	4.9
185.11998	3.8
186.09172	21.0
186.12718	5.4
193.08922	1.9
194.09671	17.5
195.10425	3.5
196.07617	4.1
196.11275	14.0
197.08235	2.2
198.09166	69.2
199.09964	3.3
201.07935	3.6
206.09718	5.2
207.06819	1.3
208.07584	2.6
209.08394	6.1
210.09192	7.0
211.10037	3.0
212.07159	3.9
212.10730	42.9
213.11478	3.3
214.08673	4.0
214.12296	9.0
222.09166	21.8
223.07982	1.2
223.09895	7.0
224.10713	22.8
226.08720	2.5
227.05937	1.8
227.09489	1.4
238.08647	2.8
240.10219	68.2
241.10959	12.7
242.11798	11.5
250.08661	6.1
258.11383	5.4
258.13779	1.2
268.09714	20.0
286.10770	100.0
287.10892	1.2
300.15979	4.8
309.49817	1.2
318.13403	61.1
318.16898	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	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.01845	0.6
55.05479	0.6
56.05015	0.3
56.96546	0.6
57.03445	1.6
58.06557	0.4
60.04487	0.3
61.02933	1.4
61.03162	0.3
67.05472	0.4
69.03423	3.2
69.07039	1.1
70.06580	0.6
70.84175	0.7
71.04963	0.4
72.08118	1.1
73.02910	0.5
79.05453	0.6
81.03378	1.0
81.07031	0.3
82.06548	0.9
83.04919	0.3
84.04497	2.1
84.08057	0.3
85.02451	0.4
85.02908	5.3
86.09711	1.5
86.48581	0.3
87.04446	0.5
91.03929	0.6
91.05475	0.5
93.07017	1.2
95.08570	1.3
96.04514	3.0
96.08134	1.6
97.02907	2.8
97.05270	1.8
97.06549	1.5
98.97578	0.4
99.04440	0.6
100.07597	1.3
109.02882	0.7
109.06492	0.4
110.06046	5.1
110.09682	3.9
111.08057	1.0
120.08097	0.9
121.06492	0.9
123.04465	0.3
125.08388	0.7
126.09161	9.0
127.03896	1.2
129.10243	0.6
130.04967	1.1
137.05997	0.5
138.09148	19.2
139.07529	0.9
145.04965	0.7
151.07512	0.6
152.10637	0.5
156.10210	100.0
157.10550	0.6
159.11301	0.5
162.05582	0.7
168.10202	0.7
173.12962	0.4
180.10190	0.4
183.08069	0.4
186.14711	0.3
198.09131	0.7
198.11307	0.6
211.07593	0.6
222.11288	0.4
226.08696	0.5
240.10219	0.6
242.11813	0.3
255.06509	0.7
256.13455	0.4
266.54608	0.3
268.09903	0.4
268.12979	1.0
272.54675	0.3
282.14966	0.4
284.12949	1.0
286.13556	1.2
300.15973	5.3
317.56274	0.4
318.16940	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	317.1022
Annotation	Pendulone
Peak:m/z	Relative Intensity
51.02390	0.1
53.03950	0.2
55.01875	0.7
55.05508	0.1
58.58834	0.1
65.03944	0.6
67.05509	3.5
68.99794	0.5
69.03439	0.2
69.07054	0.1
70.47446	0.3
77.03919	0.1
79.05494	0.3
81.03432	0.2
81.07060	0.2
83.04977	0.1
83.44448	0.1
85.02876	0.1
86.74380	0.1
91.05476	0.4
92.84953	0.1
94.04213	0.1
95.04974	6.1
95.08604	0.1
98.97581	0.1
105.03401	0.1
105.07051	0.1
107.04974	0.8
107.08574	0.2
109.06525	0.1
111.04477	0.1
115.05463	0.1
119.04939	0.6
121.06509	0.5
123.04434	100.0
124.04759	0.5
125.06017	0.1
134.03664	0.2
135.04410	0.6
137.02348	0.4
137.05988	0.4
140.04674	0.4
147.04417	5.9
149.05956	0.2
151.03925	0.3
151.07561	0.2
155.07039	0.9
161.05954	0.2
163.03905	1.2
164.04756	0.1
167.03427	0.4
167.07008	0.1
168.04176	1.4
169.04976	0.5
169.06343	0.1
171.06552	0.1
173.05966	0.2
177.05475	0.1
179.07040	0.1
183.06541	9.3
185.05817	0.1
187.07591	0.1
192.04192	0.2
193.04930	0.1
195.06523	0.5
197.06004	0.3
201.05432	0.1
207.06461	0.5
211.07680	0.1
213.05537	0.1
214.06194	0.1
215.07109	0.1
223.06068	0.2
225.05515	0.2
225.10181	0.1
229.08577	0.3
242.05846	0.1
243.06271	0.1
253.05045	0.2
257.08069	0.3
270.05106	0.2
271.06052	0.2
274.10532	0.1
276.06638	0.1
285.07562	1.0
287.05594	0.1
289.10699	0.2
299.10196	0.4
299.13950	0.1
302.07785	0.2
317.10202	10.5
317.23007	0.4
318.10349	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	317.1022
Annotation	Cajanol
Peak:m/z	Relative Intensity
51.13361	0.7
53.03945	2.0
54.25381	0.7
55.01867	1.0
55.05514	1.0
58.06596	0.7
65.03939	0.8
67.05501	2.9
68.99789	1.9
69.03432	1.2
69.07080	3.1
70.08612	2.9
70.50562	0.6
71.63597	0.7
77.03896	0.7
79.05507	4.5
81.03413	1.0
81.07065	2.9
91.05499	3.2
92.48996	0.6
93.07041	3.1
93.21844	0.6
95.04988	3.3
95.08630	1.5
97.02831	0.7
97.06540	0.9
98.97597	1.3
103.05485	2.6
105.03385	0.9
105.04539	0.6
105.07006	1.0
107.04962	22.3
109.06563	3.7
110.03661	1.3
113.11706	0.7
119.04985	1.1
121.02850	0.7
121.06528	10.1
122.03676	1.6
122.06031	1.9
122.06857	1.3
122.93555	0.6
123.04436	22.7
125.06010	6.4
127.03951	1.2
133.02838	0.9
135.04457	3.0
135.05563	3.7
137.05989	88.1
147.04453	2.1
149.05988	11.9
150.06828	1.7
151.03949	2.1
151.07542	1.0
153.04306	1.4
153.05482	18.9
153.06770	1.1
160.05252	0.7
161.05968	1.4
162.03133	0.8
163.03937	6.1
163.07506	0.8
164.07088	1.1
165.05490	85.6
167.03409	5.4
175.03922	1.5
175.91595	0.8
177.05486	10.2
178.02646	2.1
178.08545	0.8
183.06648	1.0
191.07072	1.0
193.04979	57.2
243.82071	0.7
249.02908	0.9
257.08261	1.2
273.20383	1.3
283.06000	1.9
288.74509	0.7
289.10828	3.2
291.03900	1.0
299.09167	6.5
299.14639	1.5
311.14044	0.8
317.10208	100.0
317.15466	5.6
317.22739	1.8
318.10718	1.3
339.13120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1023
Annotation	Mucroquinone
Peak:m/z	Relative Intensity
53.03947	0.3
55.01876	0.3
55.05513	0.5
55.24519	0.2
56.96566	0.5
59.13780	0.2
64.51067	0.3
65.03941	0.9
67.05510	2.6
68.99786	1.8
69.03433	1.2
69.07076	0.7
69.39946	1.5
69.40353	0.6
74.58994	0.3
77.03941	0.3
79.05500	1.5
81.03416	0.5
81.07050	1.5
82.04200	0.3
83.05016	0.4
85.02923	1.9
86.09731	0.3
88.68845	0.2
91.05474	1.3
93.03398	0.6
93.07033	0.8
94.04177	0.4
95.04976	3.0
95.08609	0.7
97.06542	2.4
98.97587	0.8
103.05457	0.6
105.07001	0.8
107.04947	4.6
107.08595	0.6
109.06526	0.4
109.10175	0.5
110.03650	1.2
111.04457	0.4
116.98602	0.4
117.07017	0.3
119.04928	1.3
119.08562	0.6
121.02865	0.3
121.06506	1.4
122.05999	0.5
123.04451	3.5
125.06006	7.0
127.15436	0.3
129.07014	0.3
131.04950	0.4
133.02867	0.8
133.20883	0.2
134.03697	0.3
135.04424	9.1
137.02357	0.8
137.06012	1.9
138.03130	4.8
138.06250	0.3
139.03917	1.3
140.04807	0.3
140.26195	0.2
141.05487	3.1
141.07031	0.3
145.06482	0.3
147.04408	1.9
149.06024	1.5
151.03946	1.5
151.07523	0.7
153.05475	100.0
154.05957	0.5
155.07053	0.4
155.08495	0.2
161.06009	0.5
162.03081	1.6
163.03920	4.6
164.07048	0.4
165.05470	1.9
165.07278	0.4
167.03391	0.6
167.07054	1.1
177.05476	14.9
178.06311	0.5
179.07036	0.8
180.07794	0.9
184.07376	0.3
193.04987	3.2
197.06059	0.7
211.07666	0.4
214.06383	0.3
216.17593	0.2
225.05560	0.3
229.08580	2.4
257.08163	1.7
285.07568	1.3
289.10693	3.4
299.09250	0.8
299.14691	0.8
300.12512	0.4
302.04184	0.3
317.06799	0.6
317.10208	13.8
317.15637	2.8
317.22852	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	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03951	0.3
55.01862	0.4
55.05261	0.5
55.05515	4.4
55.53364	0.2
56.05040	4.4
57.03446	0.8
57.07085	2.1
58.02972	0.4
58.06605	1.1
60.04529	100.0
65.03930	0.4
67.05511	8.4
68.05038	0.5
69.03423	0.3
69.07068	4.7
70.02963	0.4
70.06606	0.8
71.08638	1.1
71.28223	0.5
72.04521	2.2
73.02946	0.4
74.06081	2.6
79.05495	4.2
80.05045	1.2
81.03439	0.6
81.07059	7.1
81.07524	0.5
82.06608	1.3
83.04975	0.6
83.08624	2.9
84.04514	0.4
84.08141	0.3
85.06585	0.3
85.10198	0.4
86.06068	0.6
87.04483	1.2
90.05566	1.5
91.05486	2.5
93.07050	3.0
94.06578	0.6
95.04963	0.5
95.07375	0.3
95.08616	7.7
96.08154	0.9
97.06544	0.8
97.10170	1.6
98.06076	0.4
100.07648	0.5
102.05538	0.3
105.07043	1.5
107.08615	1.3
108.08133	0.4
109.06513	0.6
109.10170	3.1
111.08094	0.4
111.11746	0.3
112.07610	0.7
115.05485	0.4
116.07107	0.7
119.08604	1.0
121.10148	1.3
123.04462	0.7
123.08115	0.3
123.11720	1.0
133.10136	1.1
135.11711	1.1
137.05956	0.8
137.13234	0.4
143.04939	0.9
147.11745	0.5
149.05978	0.3
151.07532	0.7
151.14862	0.3
151.46989	0.2
160.05167	0.4
161.05988	0.4
164.07088	1.4
173.20717	0.3
175.07547	0.6
178.08614	1.9
181.33182	0.3
192.43091	0.3
212.23952	0.3
213.07788	0.5
219.21127	0.4
221.64520	0.3
228.75279	0.3
233.22678	0.3
234.22237	0.3
245.22702	0.6
250.25294	1.2
251.23660	0.3
256.26529	0.9
262.25320	1.6
266.11713	0.6
268.26495	0.7
280.26379	12.6
284.12814	0.4
298.14462	2.7
298.27432	13.5
316.15479	7.8
316.28476	56.0
317.21078	0.4
317.28870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1022
Annotation	Cajanol
Peak:m/z	Relative Intensity
51.13361	0.7
53.03945	2.0
54.25381	0.7
55.01867	1.0
55.05514	1.0
58.06596	0.7
65.03939	0.8
67.05501	2.9
68.99789	1.9
69.03432	1.2
69.07080	3.1
70.08612	2.9
70.50562	0.6
71.63597	0.7
77.03896	0.7
79.05507	4.5
81.03413	1.0
81.07065	2.9
91.05499	3.2
92.48996	0.6
93.07041	3.1
93.21844	0.6
95.04988	3.3
95.08630	1.5
97.02831	0.7
97.06540	0.9
98.97597	1.3
103.05485	2.6
105.03385	0.9
105.04539	0.6
105.07006	1.0
107.04962	22.3
109.06563	3.7
110.03661	1.3
113.11706	0.7
119.04985	1.1
121.02850	0.7
121.06528	10.1
122.03676	1.6
122.06031	1.9
122.06857	1.3
122.93555	0.6
123.04436	22.7
125.06010	6.4
127.03951	1.2
133.02838	0.9
135.04457	3.0
135.05563	3.7
137.05989	88.1
147.04453	2.1
149.05988	11.9
150.06828	1.7
151.03949	2.1
151.07542	1.0
153.04306	1.4
153.05482	18.9
153.06770	1.1
160.05252	0.7
161.05968	1.4
162.03133	0.8
163.03937	6.1
163.07506	0.8
164.07088	1.1
165.05490	85.6
167.03409	5.4
175.03922	1.5
175.91595	0.8
177.05486	10.2
178.02646	2.1
178.08545	0.8
183.06648	1.0
191.07072	1.0
193.04979	57.2
243.82071	0.7
249.02908	0.9
257.08261	1.2
273.20383	1.3
283.06000	1.9
288.74509	0.7
289.10828	3.2
291.03900	1.0
299.09167	6.5
299.14639	1.5
311.14044	0.8
317.10208	100.0
317.15466	5.6
317.22739	1.8
318.10718	1.3
339.13120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2274
Annotation	Bremazocine
Peak:m/z	Relative Intensity
53.03941	0.8
55.17543	0.3
57.56604	0.3
58.06583	0.4
70.81093	0.8
80.05013	0.6
81.07044	1.6
82.06586	0.4
91.05492	3.2
91.82966	0.4
93.07047	7.6
95.04990	0.6
95.08608	0.5
98.06104	0.7
98.97541	0.4
103.05458	3.9
107.05005	0.6
107.08589	0.4
108.08124	0.4
110.09690	0.8
110.30933	0.4
121.06508	68.2
122.09690	1.0
123.04395	1.0
123.10471	0.4
123.11696	0.4
124.11217	0.9
136.11195	2.1
137.06000	1.2
143.04918	0.6
150.12784	1.0
151.07671	0.4
152.14351	27.7
161.06032	0.4
164.07098	2.0
175.07602	0.5
178.08650	1.5
196.16985	2.2
200.10724	2.0
200.12787	0.7
218.11810	4.1
228.13916	0.7
242.15453	1.7
260.50192	0.4
272.20090	79.5
273.20398	0.9
284.15417	0.6
298.14355	1.5
298.23898	0.6
299.12811	0.6
310.85574	0.4
316.15308	6.5
316.22717	100.0
317.22986	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1757
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
54.63517	1.3
55.01868	1.5
55.05518	6.1
56.96556	2.8
58.06595	3.9
60.04529	100.0
67.05504	12.4
69.03414	2.0
69.07073	12.4
69.58832	2.8
69.59243	5.5
70.02943	2.1
71.04982	2.0
79.05498	9.6
81.03429	1.6
81.07063	40.2
83.04988	3.4
83.08638	3.7
84.04526	1.2
85.02881	3.2
85.06538	2.7
88.03992	18.5
91.05485	15.8
93.07058	14.2
95.04952	1.4
95.08620	7.8
96.04494	2.1
97.06518	3.5
98.97581	4.9
99.08079	1.5
101.71758	1.2
103.05444	4.3
105.07037	17.4
106.05036	82.3
107.04952	2.4
107.08622	6.8
108.99258	1.2
109.02891	1.6
109.06532	2.1
110.06030	1.1
115.05444	4.1
117.07001	1.8
119.04930	2.4
119.08570	14.6
121.06514	62.3
121.10153	10.0
123.04418	4.9
123.08086	2.3
123.11716	12.9
127.07535	1.7
133.10126	3.2
136.11229	2.6
137.05984	9.9
137.09599	1.4
137.13234	1.3
143.04929	7.8
147.11690	29.2
149.05952	1.5
151.07562	5.2
152.14354	26.4
152.68431	1.1
155.08609	1.2
157.10153	1.9
158.99739	1.5
160.05054	1.1
161.06015	4.6
164.07088	19.8
165.12776	14.3
175.07495	2.7
178.08653	13.0
183.13844	1.7
193.12181	1.4
196.17033	2.1
197.04471	4.3
200.10672	1.9
206.15421	5.2
207.08206	1.5
213.07726	1.6
214.08838	1.9
218.11707	2.8
220.54773	1.0
226.08766	1.9
229.14375	1.9
234.14928	17.4
240.12239	1.8
252.10364	1.8
252.13374	2.4
252.15985	32.2
252.18507	1.2
266.11719	4.0
267.12289	1.5
268.12491	1.6
270.17059	9.8
272.20099	77.2
279.28830	1.4
280.15454	17.9
284.12708	2.3
284.15561	6.5
294.64951	1.2
298.16776	54.7
299.12698	3.5
308.91589	1.1
316.09039	2.4
316.15366	60.0
316.22736	93.4
317.10272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99507	0.8
53.03940	1.2
54.65315	0.9
55.01854	1.1
55.05509	6.2
56.96554	2.3
57.03440	4.6
57.07084	1.6
58.06596	3.3
60.59017	0.9
65.03953	1.3
67.05167	1.3
67.05508	17.6
68.25960	1.1
69.03429	2.3
69.07086	7.1
71.04979	3.2
73.02916	1.1
77.03946	1.0
79.05499	70.2
81.02984	1.5
81.03425	21.6
81.06647	1.3
81.07066	15.7
83.08620	2.4
91.05488	12.7
93.07043	14.7
95.04968	2.7
95.08617	40.6
97.06499	1.2
98.09694	2.5
98.97591	4.4
103.05466	3.0
105.06377	1.6
105.07040	19.6
107.04959	1.4
107.08603	100.0
109.06483	4.8
109.10163	17.3
114.75933	0.9
115.05465	1.9
119.04917	1.5
119.08588	14.0
121.06517	90.9
121.10161	6.7
123.04411	4.9
123.08083	12.9
133.10132	9.0
135.11717	2.4
136.07574	1.7
137.06006	10.1
137.09587	2.0
137.13263	1.3
138.09142	17.4
139.61975	1.0
143.04953	6.1
145.31618	1.0
147.04411	1.3
149.05992	2.5
149.13272	72.8
151.07570	4.7
151.11182	1.9
151.14842	15.9
161.05984	4.8
161.13272	27.3
164.07082	18.5
166.08672	4.2
173.05948	1.1
175.07599	2.4
178.08629	10.2
179.08562	1.3
179.14343	16.6
192.12840	1.2
207.08177	1.6
213.07785	1.1
214.08681	1.8
218.15414	21.5
226.08559	1.2
234.15059	1.1
236.10658	1.4
246.14919	1.8
250.08638	1.4
252.10432	1.8
266.11649	4.1
267.10019	1.1
267.12485	2.4
268.12436	1.3
284.06918	1.1
284.09857	1.2
284.12701	2.8
284.15576	5.0
298.14386	18.1
299.09186	1.7
299.12607	1.6
316.12613	1.8
316.15445	46.4
316.19324	3.3
316.22723	85.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1544
Annotation	Oxycodone
Peak:m/z	Relative Intensity
55.74606	0.3
57.73671	0.2
69.79803	1.0
69.80200	0.5
71.04978	0.3
80.46629	0.3
81.34593	0.3
83.04983	0.3
85.06548	0.6
85.52464	0.3
91.05479	0.4
99.88853	0.2
135.04437	0.6
136.92215	0.3
137.06030	0.4
144.49393	0.2
149.06006	0.7
153.06967	0.4
155.08475	0.4
156.08093	0.5
157.06441	0.3
159.04453	0.5
165.06990	0.5
167.08441	0.6
169.10077	0.5
172.05099	0.3
173.05988	0.7
174.05563	0.3
176.07065	0.4
178.08667	0.6
179.08620	1.7
181.06532	0.8
182.56767	0.2
183.08063	0.5
184.69392	0.3
185.06050	1.3
187.07510	0.4
188.07130	0.5
191.08574	0.5
193.06483	0.5
195.08064	0.6
197.09651	0.8
199.07564	0.7
207.08075	1.1
208.11179	0.8
209.06021	0.3
209.09514	0.4
210.07138	0.3
210.09227	0.6
211.07851	1.3
212.07069	0.4
213.07620	1.5
214.08609	2.7
215.09457	0.9
219.08070	1.0
219.10384	0.3
222.06876	0.5
223.07516	1.1
224.07025	0.6
225.09283	1.4
226.08589	2.0
227.10687	0.6
228.10220	0.7
229.08618	0.5
236.10725	1.1
237.09200	1.5
238.08589	0.3
239.07118	0.4
239.10782	0.5
240.10233	1.4
241.08635	0.6
241.11003	0.3
252.10307	0.3
254.11710	0.5
255.10248	1.1
266.11758	3.9
267.12643	0.4
269.11743	0.4
284.12811	6.1
298.14389	7.2
316.15448	100.0
317.15842	1.3
317.19287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1545
Annotation	Nororientaline
Peak:m/z	Relative Intensity
69.19962	0.5
69.20107	0.8
69.20540	4.6
85.06532	0.6
89.86575	0.5
91.05490	1.0
94.04201	0.8
98.20734	1.0
99.58267	0.6
109.06515	0.7
109.70752	0.6
115.05455	6.9
122.03640	1.5
122.94263	0.5
137.05991	32.9
143.04938	18.7
151.07550	2.6
154.08646	0.7
160.05220	2.1
161.06012	0.9
163.06268	5.2
164.07103	2.2
166.07756	0.8
175.07567	14.5
178.08652	70.2
179.08603	3.5
191.08478	0.6
194.07214	0.9
206.09698	1.3
207.08092	4.8
213.07877	3.9
214.08621	1.7
219.08058	1.0
224.08426	1.1
226.08553	3.7
228.10181	1.6
234.09171	1.5
235.07552	1.7
239.10838	2.9
240.10196	1.6
241.08751	0.8
250.08754	2.3
251.09378	2.9
252.07906	0.7
252.10216	2.4
259.15515	0.6
266.11755	8.3
267.10214	3.0
267.12595	2.9
268.13422	1.9
284.12988	2.6
298.14404	48.5
299.12747	13.2
316.15451	100.0
317.15814	1.4
319.16257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1544
Annotation	Oxycodone
Peak:m/z	Relative Intensity
55.01872	0.3
56.05040	0.5
57.05818	0.4
58.06603	29.6
66.96569	0.3
71.00394	0.8
71.07371	1.2
71.30473	0.3
72.08145	0.6
76.82650	0.3
79.75903	0.3
88.06691	0.3
91.05474	1.2
91.34543	0.3
96.60069	0.3
115.05463	5.3
119.04979	0.5
123.04433	31.2
123.39850	0.3
133.06487	1.0
135.04387	1.6
137.05986	4.9
143.04929	12.1
145.06480	0.4
147.04398	0.4
149.05940	0.8
161.05983	13.9
162.06842	0.7
163.07497	1.7
165.07961	0.4
176.10724	0.4
178.08627	0.4
179.09523	0.9
180.10179	1.0
192.10164	0.6
193.11018	0.6
207.08020	1.1
209.09570	0.4
225.09157	1.2
227.10562	0.4
235.07494	1.0
253.08598	1.8
255.10156	0.3
256.07471	0.4
271.09668	6.1
273.11230	1.2
316.15436	100.0
317.15866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1544
Annotation	Oxycodone
Peak:m/z	Relative Intensity
69.88519	1.8
75.17183	0.3
85.06542	0.9
91.05502	0.6
98.20872	0.5
115.05453	1.1
123.08125	0.6
137.05980	3.5
143.04918	2.4
149.05904	0.4
151.07565	0.7
163.06294	0.4
164.07066	1.3
165.06992	0.8
166.07822	0.5
175.07576	1.2
176.07039	0.4
178.07518	0.4
178.08696	5.5
179.08595	2.2
181.06493	0.5
185.06110	0.4
191.08586	0.8
194.07315	0.8
195.08070	0.5
206.09644	2.0
207.08037	2.8
208.11264	1.2
212.07050	0.4
213.07845	5.8
214.08629	2.0
215.09396	0.9
219.08083	1.3
222.09129	0.4
223.07678	0.5
223.09874	0.4
224.08400	1.0
226.08441	4.2
228.10118	1.5
233.08337	0.8
234.09177	1.3
235.09990	1.1
236.08598	0.4
236.10747	1.5
237.07649	0.5
238.09920	0.5
239.09077	0.7
239.11140	0.4
240.07040	0.4
240.10217	2.0
250.08617	2.7
251.09229	2.5
252.10170	4.1
256.13498	0.5
266.11786	12.6
267.09842	0.5
267.12540	6.2
268.13266	2.5
284.12820	2.7
286.40405	0.4
298.14398	60.9
299.12494	0.7
299.15353	0.5
306.05939	0.4
316.15451	100.0
317.15732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1544
Annotation	(S)-Nororientaline
Peak:m/z	Relative Intensity
53.32689	0.4
57.03422	0.7
58.06603	31.7
61.02919	0.8
65.03951	0.4
69.03411	1.4
70.89799	0.7
71.07372	1.2
72.08153	0.7
81.03428	0.7
85.02907	5.6
91.05482	8.4
95.04951	0.7
97.02891	1.2
103.05459	0.4
107.04945	0.6
109.02897	0.7
109.06509	1.0
115.05459	6.4
117.07007	0.4
119.04946	6.4
122.16422	0.4
123.04435	32.3
127.03887	0.9
133.06476	0.8
135.04391	1.4
136.05165	0.6
136.07545	0.8
137.05983	62.6
143.03787	0.6
143.04924	12.9
145.04985	0.5
145.06465	0.7
147.04555	0.6
149.06001	1.2
150.99158	0.4
154.08636	12.7
161.05983	13.8
163.07588	1.4
165.07951	0.6
176.10724	0.5
178.08728	0.7
179.09668	0.8
180.10236	1.3
192.10167	0.7
193.10959	0.8
197.09579	0.5
207.08076	2.0
210.09122	0.6
225.09164	1.5
235.07710	0.9
241.66870	0.5
253.08658	1.6
271.09665	5.8
273.11359	1.4
284.09235	1.2
316.15466	100.0
317.15903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
57.03432	0.8
58.06587	0.3
61.02917	1.1
69.03438	2.8
71.04985	0.3
71.10213	0.4
73.02921	0.5
77.53626	0.2
81.03413	1.2
81.07047	0.3
84.24303	0.2
85.02911	8.4
87.04458	0.6
91.03948	0.5
91.05486	12.6
92.05788	0.2
97.02903	2.8
99.04456	0.4
108.25548	0.2
109.02872	0.7
109.06510	1.1
119.04955	9.7
123.04490	0.4
127.03918	2.0
132.60562	0.2
136.07597	0.9
137.05984	100.0
138.06290	0.3
145.04993	1.6
154.08635	23.2
210.09181	0.4
234.21587	0.3
284.09137	1.5
298.13132	0.3
299.11243	0.9
316.13889	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	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04286	0.3
53.03940	0.4
55.01854	0.3
56.96574	0.4
57.03428	0.8
58.06585	1.0
60.03267	0.3
61.02932	1.6
65.03937	0.5
69.03429	2.8
69.64059	1.7
73.02907	0.6
81.03425	1.4
81.07044	0.3
81.84429	0.3
85.02903	9.3
87.04503	0.3
91.03944	0.4
91.05484	13.2
97.02888	3.2
98.20846	0.6
99.04433	0.5
107.94341	0.3
109.02860	1.1
109.06492	0.9
113.68847	0.3
119.04947	9.9
123.04428	0.7
127.03938	2.0
136.00766	0.3
136.07565	3.3
137.05978	100.0
138.06360	0.4
145.04961	1.5
154.08630	23.6
161.05913	0.4
207.13446	0.3
215.02563	0.3
245.57355	0.3
272.22614	0.3
298.12827	0.7
299.11237	1.2
316.13773	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	315.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	4.4
59.06922	1.4
71.10411	1.5
91.05474	2.3
96.52428	0.5
109.32808	0.6
109.71825	0.6
110.55709	0.5
119.21739	0.6
130.06540	6.3
138.02676	0.7
154.06554	0.6
165.06989	0.8
167.07312	1.5
168.08066	0.9
179.07344	1.0
180.08131	3.3
180.09438	0.8
181.07536	1.3
182.09734	1.1
183.06966	0.6
192.08197	1.4
193.07562	1.7
193.09096	3.2
194.08098	3.0
194.09947	3.9
195.09102	1.0
196.11351	0.7
204.08084	1.2
205.07526	0.8
206.08366	2.4
207.09187	8.1
209.10753	0.7
210.07744	1.7
210.09195	2.2
219.09198	1.3
220.09976	2.1
221.10756	25.4
222.11513	10.7
223.08607	1.3
223.12215	1.1
224.09480	4.4
237.10280	5.1
238.11018	0.9
239.11807	100.0
254.10538	7.7
265.09457	0.6
270.08502	3.2
271.14407	7.6
281.23898	0.7
283.10971	0.6
299.11041	1.0
312.88837	0.6
315.13947	11.0
315.17996	0.8
315.19226	0.7
316.15405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
55.01873	0.8
58.06583	2.3
61.02925	0.9
63.98129	0.5
66.25368	0.6
68.78667	0.4
69.03429	0.7
70.97051	0.8
70.97377	0.8
73.02845	0.5
76.92100	0.5
81.03403	0.5
85.02898	3.4
85.22089	0.5
91.04973	0.7
91.05491	7.6
97.02879	1.9
107.41162	0.5
108.92180	0.5
115.05437	0.8
116.38651	0.4
119.04951	3.6
123.04424	2.8
127.03917	0.9
129.06998	1.0
136.07600	1.7
137.05984	37.7
141.06999	0.7
143.04913	1.0
145.04915	0.6
154.06601	1.0
154.08653	9.6
155.07364	0.6
155.08571	1.5
156.08069	0.9
161.06006	1.2
165.06995	1.7
167.07318	6.8
167.08578	1.0
168.08096	3.4
169.08871	1.8
170.05989	1.0
172.97697	0.5
180.08138	1.3
181.06534	0.8
181.08864	1.5
182.06035	0.5
182.09660	15.2
183.06703	0.6
183.08127	1.2
183.10422	2.5
184.07544	1.2
184.11188	2.8
192.08063	5.0
193.08939	0.8
194.09628	1.6
195.06723	0.7
196.07593	3.0
197.08376	1.2
207.06787	0.6
208.07616	1.3
210.09148	16.9
211.09969	2.7
212.07027	0.5
212.10693	4.1
213.07797	0.6
220.07436	0.6
222.09164	2.1
224.07129	1.2
227.05817	0.5
228.10320	0.9
232.99632	0.6
234.80775	0.5
236.07129	1.3
238.08624	17.8
238.11032	0.9
239.09358	2.0
240.10191	2.2
242.04474	5.8
244.06096	1.6
255.05180	0.8
256.05783	0.5
256.09644	1.3
266.08206	1.0
268.06116	0.7
269.06799	1.1
280.01880	0.5
282.07452	1.1
284.09177	100.0
285.09515	1.2
297.37161	0.6
316.11761	9.8
316.15265	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	315.1227
Annotation	2,3,9-trimethoxypterocarpan
Peak:m/z	Relative Intensity
51.02386	0.2
53.00353	0.1
53.03947	0.6
55.01872	0.1
55.05524	0.2
56.96590	0.1
58.06594	0.1
62.43037	0.1
65.03948	0.3
66.04731	0.5
67.72620	0.1
68.73096	0.1
68.99789	0.1
71.40436	0.2
77.03952	0.3
79.05498	3.9
81.03428	0.2
81.07061	2.0
91.05496	0.6
94.04198	2.0
95.04973	0.6
98.97566	0.3
103.05482	0.2
105.03391	0.5
105.04496	0.2
105.07033	0.3
107.04971	0.3
108.05673	0.1
109.06527	13.3
116.98641	0.1
118.04190	0.2
121.06513	0.6
124.05265	0.2
130.95839	0.1
131.04892	0.2
133.06503	0.7
135.08080	0.6
137.05984	100.0
138.06308	0.4
139.07529	0.3
146.03642	0.3
147.04425	0.3
149.05994	0.8
151.07530	0.4
153.05560	0.2
155.07059	1.3
160.86572	0.1
161.05991	11.2
162.06718	0.3
163.07556	0.6
167.07047	25.9
168.07419	0.2
175.07579	0.1
176.04704	0.3
177.05493	1.1
179.07104	0.6
191.07030	1.1
192.07858	0.1
207.06621	0.6
212.08308	0.2
239.11894	0.2
240.07826	0.1
252.13416	0.1
255.10181	0.2
265.10535	0.2
267.12064	0.2
283.09470	0.2
283.15076	0.9
285.07571	0.2
287.12708	0.4
300.09860	0.2
315.12219	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	315.0502
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
55.05511	0.3
56.96571	0.9
57.03449	0.3
58.06604	0.9
61.82621	0.3
67.05502	0.5
68.99809	1.1
69.07077	0.5
79.05490	0.3
81.03419	0.4
81.07064	0.7
83.28571	0.3
85.02887	0.4
91.05499	1.0
93.07037	0.3
95.08611	0.5
98.97577	1.6
105.07030	0.5
107.08589	0.3
107.18262	0.2
112.99174	0.2
115.05471	0.3
116.98650	0.5
121.06480	0.5
123.04455	0.4
124.13255	0.3
130.06554	0.3
131.01288	2.0
134.06050	0.4
137.06007	1.1
143.04993	0.2
147.04457	0.3
147.11679	0.3
151.07518	0.6
153.01810	0.6
154.01717	0.2
155.04962	0.4
160.05209	0.4
171.04431	0.4
171.48480	0.2
173.01230	0.4
173.02637	0.3
175.03790	0.3
180.08873	0.3
187.03987	0.5
188.04730	0.7
190.07404	0.3
190.27937	0.3
199.03938	0.7
200.04591	0.3
202.02620	0.9
203.03629	0.3
207.09938	0.3
207.21442	0.2
213.02068	0.3
215.03519	0.8
216.04164	2.7
218.06934	0.4
219.01913	0.3
221.10742	0.7
225.10960	0.3
227.03473	1.6
228.04192	0.7
235.09352	0.5
236.07791	0.4
237.10989	0.9
239.09233	0.6
239.11972	2.0
241.01323	0.4
243.02858	0.8
244.03687	19.7
251.10274	0.5
251.12753	1.1
252.13359	1.1
253.10713	0.8
254.11266	0.6
255.02902	8.1
256.03729	0.4
259.06024	3.7
265.10541	1.1
266.11978	0.5
267.12115	2.4
268.12946	0.5
271.02386	3.0
271.05460	0.4
272.03174	5.3
274.89163	0.3
281.13748	0.4
282.14966	0.6
283.02386	49.9
283.11697	0.9
283.15176	8.6
284.02948	1.4
287.05518	8.9
287.08505	0.3
297.13312	0.4
299.11093	0.8
300.02664	18.1
300.11853	0.4
315.04980	100.0
315.14175	5.5
315.17880	2.8
316.05374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
56.96542	0.2
64.30617	0.2
65.79338	0.2
69.03410	0.3
70.68336	0.5
81.07019	0.3
91.05470	0.3
95.01282	0.3
98.97548	0.5
107.08617	0.2
109.02910	0.2
116.98555	0.3
121.06471	0.2
125.02307	0.3
129.03300	0.2
133.02776	0.2
134.02632	0.3
134.03629	4.7
135.04344	0.2
137.02290	0.4
137.05907	0.5
138.03130	2.9
139.05385	0.2
141.06905	0.2
149.05951	0.2
151.06047	0.1
151.07521	0.3
157.02917	0.4
161.02296	0.6
163.03897	0.7
166.01292	0.3
166.02618	3.5
167.03412	12.6
168.05688	0.4
169.06459	0.3
171.08031	0.4
173.05981	0.2
175.03920	0.4
177.05408	0.2
184.03639	2.1
184.05203	0.5
185.06041	0.2
187.07547	0.4
188.08301	0.5
197.05997	0.3
199.07533	0.9
201.05557	0.9
204.86575	0.2
212.04720	1.7
215.06998	1.3
216.07834	1.8
217.05061	0.4
221.10861	0.3
226.06276	0.2
227.07005	3.2
229.04927	0.3
237.10722	0.2
239.11996	0.5
240.04182	3.6
243.06531	13.1
244.07315	4.7
251.12715	0.2
252.13524	0.3
253.10846	0.2
255.06528	10.6
257.04376	0.4
259.09686	1.7
265.10529	0.3
266.12067	0.2
267.12024	0.8
268.03632	1.2
270.05301	0.3
271.06055	2.2
272.06851	1.6
281.14105	0.3
282.05264	0.3
283.06021	14.4
283.15170	2.2
287.09055	0.5
299.05499	3.4
299.10800	0.3
300.06284	25.5
305.33926	0.2
315.08615	100.0
316.08914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99001	0.2
69.24393	0.8
69.24806	1.9
91.05474	1.2
105.07011	0.3
128.48187	0.3
134.06003	1.6
135.04378	0.4
143.04997	0.5
144.05273	0.5
150.06766	0.3
151.07542	1.6
153.09154	0.7
156.04414	0.7
165.06982	0.8
165.09113	1.0
174.05492	0.6
175.06247	0.4
175.07570	0.4
178.07765	0.9
179.08563	2.8
182.15347	0.3
186.05469	0.3
189.06970	2.0
190.07753	0.8
190.66756	0.3
191.08562	1.1
193.06488	0.7
195.08109	0.3
196.11255	0.3
203.08554	1.0
205.06618	0.3
205.08633	0.4
206.09622	3.3
207.08092	3.1
207.09958	0.5
208.07413	0.3
208.11078	1.5
209.06407	0.4
209.08226	2.3
210.09102	2.5
214.08548	0.3
214.18277	0.3
217.06535	2.0
218.07283	1.5
219.08051	2.0
219.10271	0.5
220.09166	0.3
220.11250	1.4
221.05948	0.5
221.09605	1.2
221.12003	1.8
222.10645	0.4
222.12535	0.4
223.07843	0.4
223.09920	1.3
224.07249	0.6
224.10706	1.5
226.08527	0.5
228.10255	0.4
233.09651	0.7
234.09004	2.5
234.10480	2.7
235.07587	6.0
235.09760	0.5
236.08401	0.6
236.10707	9.3
237.09261	0.6
237.11267	1.4
238.08563	2.5
238.12254	8.6
239.09285	0.5
240.10330	0.4
247.07530	0.7
248.06815	0.4
248.10709	1.0
249.07875	0.7
249.11510	0.6
250.09842	8.6
250.12291	9.6
251.09505	0.8
251.13055	13.1
252.10185	6.4
253.10893	3.8
254.11749	0.8
262.08673	0.7
264.10193	7.2
265.12347	4.6
266.11758	32.2
267.12567	8.1
280.13348	2.6
282.11481	6.5
282.14865	100.0
287.38040	0.4
314.13879	5.5
314.17487	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.175
Annotation	Laurifine
Peak:m/z	Relative Intensity
70.12690	1.6
70.13030	0.4
79.67883	0.5
91.05585	1.0
100.25697	0.5
134.06155	1.2
151.07626	1.1
156.04599	0.7
162.05540	0.5
165.07141	0.5
165.09210	0.9
178.07831	0.8
179.08549	2.8
189.07114	1.6
190.07791	0.8
191.08717	1.0
193.06580	0.9
206.09605	3.5
207.08003	2.3
208.11203	0.9
209.08389	1.2
210.09221	1.5
217.06572	1.4
218.07368	1.0
219.08118	1.5
220.11342	1.4
221.09941	0.6
221.12106	1.7
223.09959	0.8
224.08803	0.6
224.10776	1.6
226.08841	0.9
234.08951	1.5
234.10580	2.1
235.07591	4.4
235.09796	0.7
236.10709	8.1
237.11426	1.1
238.08774	1.7
238.09947	0.6
238.12253	6.4
240.10268	0.5
247.07552	0.7
249.07719	0.8
249.11508	0.6
250.09900	7.3
250.12361	8.8
251.10236	0.6
251.13077	9.4
252.10234	4.8
253.10959	2.7
264.10214	6.3
265.12347	5.0
266.11771	26.8
267.12527	5.8
280.13348	1.6
282.11475	6.0
282.14880	100.0
283.15253	1.0
314.13846	5.6
314.17432	24.7
328.40454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1387
Annotation	Pessoine
Peak:m/z	Relative Intensity
56.05041	0.6
69.87529	0.8
69.87931	1.6
74.99029	0.6
81.06982	0.4
91.05501	1.3
91.80220	0.4
109.70891	0.5
123.42992	0.5
123.75785	0.5
132.04445	1.7
135.04414	0.6
149.05994	0.5
153.06979	0.6
161.04698	0.7
162.05507	1.0
164.04826	0.6
165.07054	3.8
166.07768	5.0
174.05513	0.7
178.07793	6.1
179.08557	17.4
180.05769	0.6
180.08057	0.6
181.06464	1.3
184.28751	0.4
189.06970	3.3
190.07838	1.2
191.07181	0.7
191.08603	8.3
192.08049	0.7
193.06520	2.2
193.08788	0.8
194.07286	7.4
195.07930	1.0
196.11270	0.6
201.07013	0.6
204.08115	2.5
205.06400	0.9
205.08891	3.5
206.09662	31.5
207.06245	1.0
207.08076	14.9
207.10081	1.0
208.11208	1.0
209.05963	4.2
210.06851	0.8
210.09291	0.9
211.07527	0.6
213.07898	1.5
216.08003	0.9
217.06503	1.5
217.08841	2.7
218.07350	0.8
218.09615	0.8
219.08131	6.4
220.07553	3.3
222.06798	2.0
223.07558	2.9
224.08403	10.3
224.10666	1.7
226.08630	1.7
233.08313	3.5
234.09146	11.1
235.07500	3.3
235.09897	1.5
236.08308	6.1
236.10715	1.9
237.09236	4.7
238.08682	1.9
239.09431	1.5
240.09943	0.5
248.07150	0.5
249.07286	0.4
249.09207	6.3
250.08533	1.0
250.12201	0.6
252.07874	0.6
252.10217	2.3
253.10956	1.1
254.11861	1.8
256.09647	0.9
263.09457	1.8
264.10217	14.5
265.10992	8.3
266.11813	8.0
282.11273	4.1
282.14572	1.1
297.13544	1.0
314.13864	100.0
315.14200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1388
Annotation	(+)-Claviculine
Peak:m/z	Relative Intensity
50.55535	0.4
57.02567	0.5
58.06603	34.2
64.22167	0.5
70.58669	0.9
70.58995	0.6
72.08157	0.7
86.08665	0.5
95.18959	0.5
101.16457	0.5
102.43726	0.5
107.04938	0.9
115.05515	0.6
123.04433	9.1
123.31257	0.6
127.03913	0.6
131.04900	2.5
133.06479	0.8
137.02348	26.3
137.03398	1.9
137.05988	0.7
143.04918	2.0
147.04390	2.0
152.06168	1.1
153.07037	0.6
159.04413	0.8
161.05963	2.7
165.06953	0.8
167.08595	5.2
177.06990	2.3
181.06503	0.6
191.09390	0.5
195.08067	9.6
198.06694	0.7
205.06464	3.1
208.05118	0.9
213.09163	1.4
223.07535	16.6
225.09201	0.6
226.06262	2.2
233.06149	1.0
236.04778	0.9
241.08592	11.6
241.69785	0.5
251.07059	7.1
253.08578	0.7
254.05750	3.0
268.07593	0.6
269.08093	100.0
270.08511	0.7
271.09756	4.1
283.09702	3.0
285.11295	1.2
298.10797	1.6
299.11453	0.6
314.13864	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	314.1387
Annotation	Cepharatine B
Peak:m/z	Relative Intensity
51.00780	0.3
58.06611	2.1
58.23646	0.3
69.21854	0.3
69.22080	1.5
69.22495	1.3
78.63233	0.3
98.20673	0.4
105.07014	0.8
108.05750	0.4
119.76476	0.3
123.04423	0.6
133.06401	0.4
136.05185	0.6
137.05946	0.7
138.05522	0.4
146.06010	0.4
151.07550	9.2
152.07094	2.5
162.05505	0.7
163.06302	0.6
164.07097	0.6
165.09134	1.5
175.07541	0.3
176.07094	0.6
217.49040	0.3
222.56415	0.3
236.10683	0.4
238.08661	0.5
252.10240	0.6
253.10934	0.4
255.08826	0.4
256.09726	0.8
264.10168	0.4
266.08096	0.7
268.09622	0.3
268.13297	0.6
269.08136	0.5
270.07565	1.0
280.09586	0.7
281.10590	0.5
282.11267	0.9
283.08340	1.6
284.09256	1.7
285.09973	1.6
296.12897	0.9
298.10757	49.5
299.11533	23.3
314.13876	100.0
315.14194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01871	9.9
55.05516	21.3
56.96560	5.6
57.03431	13.3
57.07067	13.2
58.06597	19.0
59.30253	4.3
67.05505	46.0
69.03429	5.0
69.07069	17.2
71.04998	11.0
71.08640	55.2
71.55547	6.5
79.05490	25.0
81.03407	5.2
81.07063	38.1
83.04976	13.8
83.08622	15.7
85.02893	7.0
85.06558	5.5
85.10175	5.6
91.05484	15.9
93.07045	31.1
95.04993	6.7
95.08613	26.5
97.06538	6.9
97.10188	6.6
99.08096	51.2
105.03412	4.6
105.07031	11.3
107.04982	7.1
107.08591	17.5
109.10139	21.2
119.08582	11.1
121.02905	8.2
121.06488	6.6
121.10126	13.7
123.11786	4.5
125.09649	6.1
127.11232	8.5
133.10167	10.8
135.11711	11.3
137.05963	12.2
141.12743	50.3
143.04909	18.6
145.10118	9.6
147.11696	9.8
147.52521	3.8
149.02292	7.0
149.13261	6.2
151.03903	45.7
151.07556	23.1
151.11212	19.0
153.12708	4.3
161.13274	10.6
163.11189	15.1
165.12741	9.7
167.03384	4.6
169.04857	4.3
169.12257	15.7
175.07549	12.0
176.07063	4.9
179.14285	9.3
206.09541	6.2
235.07378	5.9
237.10223	9.8
250.12059	4.5
259.20596	8.9
264.10211	9.3
264.13391	4.3
266.11783	14.6
267.06555	9.4
269.08215	7.3
277.21613	63.5
282.11786	8.6
282.14890	35.3
284.06769	13.3
295.06012	7.8
295.22687	97.2
298.10522	7.1
313.07095	100.0
313.12744	15.1
313.14972	3.8
313.23892	4.6
313.27332	8.9
314.13858	44.9
314.17538	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41622	0.4
53.00291	0.4
55.05514	6.4
57.03440	15.4
57.07077	47.3
58.06596	0.5
63.37735	0.4
64.43399	0.4
65.59520	0.4
67.05508	8.4
69.07073	7.9
70.94980	0.7
70.95317	0.5
71.04993	0.5
71.08633	30.0
75.04488	0.7
79.05472	1.0
81.06576	0.9
81.07057	13.2
81.50769	0.5
83.08622	8.3
85.06552	0.6
85.10182	15.5
89.06046	2.3
91.05460	0.9
93.07065	0.6
95.08607	16.8
97.06509	0.4
97.10168	4.8
99.11729	1.2
103.07574	1.8
109.10162	7.5
111.11746	1.0
117.09149	0.7
123.11713	3.3
125.13253	0.6
135.11717	0.4
137.06032	0.4
137.13261	1.6
138.98860	0.4
139.11139	0.5
151.07553	0.8
239.23685	3.5
257.24738	4.8
282.14865	0.8
298.27261	0.5
313.07092	2.7
313.27374	100.0
314.13794	1.0
314.27744	0.9
315.76520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.64536	1.0
51.99917	1.0
52.97977	1.1
53.03948	2.2
55.01875	7.6
55.05514	26.5
56.96567	2.0
57.03442	6.4
57.07080	5.9
58.06610	5.3
59.05002	2.2
65.03919	1.4
65.59553	1.1
67.05506	44.3
69.03422	2.3
69.07072	15.8
71.04993	13.7
71.08631	29.2
71.56267	1.5
72.08119	1.1
79.05499	18.4
81.03430	2.2
81.06583	1.7
81.07060	34.2
83.04977	14.3
83.08622	18.3
85.02888	1.9
85.06556	5.4
85.10165	1.8
91.05483	10.8
93.07047	21.4
95.04967	3.3
95.08611	20.5
97.06536	7.5
97.10175	21.7
99.08094	22.4
105.07052	8.9
107.04955	2.5
107.08587	21.6
109.06544	2.2
109.10153	19.9
111.08076	5.2
113.09648	1.4
117.07049	2.2
119.08562	6.4
121.06527	2.7
121.10162	9.1
123.08093	1.3
123.11720	4.7
125.09631	15.7
127.11224	7.2
131.08537	2.7
133.10135	7.6
135.08040	2.0
135.11681	13.5
137.05960	1.5
137.09613	1.8
137.13240	1.2
141.12746	51.0
141.13858	2.4
143.04919	2.5
143.08485	1.3
143.10727	1.2
145.10112	6.0
147.11659	6.2
149.13220	4.5
151.07547	3.3
151.11176	4.4
153.09128	1.8
153.12761	7.8
159.11707	2.4
161.13303	5.9
163.11206	6.4
163.14848	1.3
165.12758	3.4
169.12225	20.0
171.10152	1.4
171.11745	1.7
175.07573	2.3
175.09775	1.7
175.14862	1.7
179.08496	2.2
179.14342	3.9
181.12231	6.5
185.13208	1.4
189.11237	22.7
189.12807	1.2
207.08136	1.0
219.09279	1.1
221.15222	1.3
231.21109	4.5
237.10257	1.9
241.19565	3.7
249.22089	2.7
250.12294	1.4
251.13095	1.1
259.20609	6.0
264.10144	1.5
266.11789	3.6
267.06580	1.9
269.08069	1.7
277.21643	61.0
282.11243	3.5
282.14908	9.0
283.05908	1.7
284.06781	4.4
295.05972	1.9
295.22696	100.0
298.10773	2.8
313.07089	24.1
313.12827	4.1
313.20291	2.5
313.23743	6.2
313.27365	3.0
314.07559	1.3
314.13947	10.7
314.17316	2.0
317.17816	1.7
326.14178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03942	1.7
55.01865	8.6
55.05515	21.5
56.96558	2.9
57.03434	6.8
57.07080	7.3
57.07303	1.2
58.06610	6.2
65.03938	1.6
67.05509	46.6
69.03437	3.5
69.07077	16.2
70.06667	6.1
71.05001	13.3
71.08636	34.5
79.05498	19.5
81.03445	3.2
81.07062	34.3
83.04980	12.4
83.08621	21.1
84.49436	1.3
85.02916	2.2
85.06541	4.3
91.05488	14.8
92.75111	1.2
93.07050	28.4
95.04980	6.3
95.08611	15.7
97.06540	7.2
97.10176	20.2
98.21467	1.5
98.97591	1.6
99.08104	26.1
105.07037	11.8
107.04958	1.8
107.08598	19.0
107.71895	1.4
108.09884	1.4
108.80023	1.4
109.06535	1.8
109.10157	22.2
111.04417	1.6
111.08096	5.2
113.09632	1.4
117.07018	3.5
119.04937	1.2
119.08565	8.7
121.02880	2.2
121.06522	2.6
121.10162	10.6
123.08044	2.0
123.11698	3.9
125.09641	16.1
127.11245	7.8
129.06993	1.9
131.08580	3.3
133.10162	11.6
135.04367	1.5
135.08041	3.7
135.11705	12.5
135.62321	1.3
137.06001	2.4
137.09601	1.7
139.11284	1.3
141.12750	50.7
143.04944	2.4
143.08617	1.7
145.10109	5.0
147.11703	7.0
149.02388	1.8
149.09711	1.3
149.13281	4.0
151.07576	5.1
151.11172	5.5
153.12755	7.0
157.10187	2.3
159.11708	3.1
161.13258	7.2
163.11163	10.4
165.12729	3.4
167.03445	2.1
169.12259	22.6
171.10287	2.4
171.11691	3.0
173.13306	2.2
175.07446	2.1
175.09753	1.7
175.14780	1.6
177.12856	1.9
179.14331	4.9
181.12236	2.5
185.13287	2.4
187.13271	1.6
189.07150	1.4
189.11235	19.9
191.04933	1.9
193.15808	1.6
231.21172	3.1
234.09154	1.5
235.07608	1.9
235.16968	1.3
236.10793	1.6
237.10344	1.4
237.69014	1.6
238.12291	1.8
241.19473	2.9
242.05598	1.5
249.22142	1.9
250.09792	1.6
250.12137	1.8
251.13066	1.8
252.10158	1.7
259.20642	9.4
264.10367	3.1
266.11801	5.1
267.06601	5.7
267.12320	1.8
270.05267	2.7
277.21643	55.3
282.11694	2.2
282.14835	17.3
283.06058	3.9
284.06821	7.3
285.07410	1.7
285.11218	1.7
295.06009	4.6
295.22696	100.0
298.10583	2.1
313.07089	56.9
313.12589	2.6
313.19604	2.8
313.24011	6.1
313.27191	1.9
314.13904	9.3
314.17545	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0695
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
52.22134	0.1
53.03926	0.2
55.01870	0.2
57.03424	0.2
58.06577	0.3
65.03945	0.7
67.01857	0.2
67.05489	0.1
68.99794	0.6
69.87088	0.3
70.06570	0.1
81.03411	1.1
83.04971	0.1
85.02421	0.1
85.02901	0.8
89.45361	0.1
91.05464	0.5
91.51534	0.1
93.03407	0.5
93.07066	0.1
95.04971	0.1
97.02875	0.1
98.97548	0.1
103.05482	0.1
105.03402	0.2
107.01282	0.1
107.04944	0.2
109.02869	0.9
109.10135	0.1
111.00754	0.1
111.04463	0.1
113.08405	0.1
115.05446	0.5
118.04195	0.1
119.04944	1.6
121.02870	5.0
121.06535	0.1
123.04428	0.2
124.01543	0.1
125.02335	0.2
127.03866	0.1
131.03181	0.1
131.04918	0.1
132.04419	0.2
133.02867	0.5
135.00847	0.1
135.04440	0.2
136.05168	0.1
137.05995	0.4
138.03139	0.3
139.03931	0.1
143.04927	1.3
145.02841	1.7
145.06520	0.1
147.04381	0.2
149.02345	3.7
149.06001	0.1
151.03882	0.3
151.07544	1.8
152.01067	0.1
152.06226	0.1
153.01820	0.7
153.07019	0.1
157.06474	0.1
160.05208	0.2
162.05479	0.2
163.03909	0.7
165.01839	1.0
165.06996	0.7
165.09056	0.1
166.02582	0.5
166.07784	0.5
167.03409	5.0
169.06493	0.1
170.02136	0.1
171.08049	0.1
173.05992	0.1
173.98393	0.1
174.05460	0.1
174.06830	0.1
175.03976	0.1
175.07542	1.2
177.01845	2.3
177.55910	0.1
178.07732	0.7
179.08551	1.9
180.08138	0.1
181.06487	0.2
182.07260	0.1
183.02896	0.2
183.08011	0.2
184.03687	0.2
185.06015	0.1
187.03889	0.2
187.62190	0.1
189.06992	0.4
189.09055	0.2
190.07814	0.1
191.08591	0.7
192.08134	0.1
193.06482	0.2
194.07253	1.0
195.02898	3.0
195.07962	0.2
196.05168	0.2
196.30371	0.1
197.05948	0.3
202.06288	0.2
204.08113	0.2
205.06560	0.1
205.08855	0.3
206.09656	3.4
207.08041	1.4
208.11220	0.1
209.06027	0.5
210.06757	0.4
211.05814	0.1
211.07584	1.0
213.03815	0.1
213.05573	0.1
213.07652	0.1
215.07059	0.2
217.06662	0.1
217.08847	0.3
219.07999	0.7
220.07599	0.3
221.05898	0.2
221.07991	0.1
222.06770	0.2
223.07556	0.3
224.08377	1.2
224.10576	0.1
225.09166	0.1
226.08672	0.1
227.07066	0.5
228.07808	0.2
229.04959	1.6
233.08322	0.4
234.09084	1.2
235.07617	0.3
235.09764	0.1
236.08325	0.6
236.10750	0.2
237.09090	0.6
238.06204	0.3
238.08617	0.3
239.07050	2.2
239.09233	0.1
240.07948	0.1
240.10101	0.1
241.04863	0.1
241.08577	0.2
242.05774	0.8
243.06456	0.1
247.05992	0.2
248.07014	0.1
249.05608	0.1
249.06535	0.1
249.09109	0.8
250.09634	0.1
250.12289	0.1
251.13042	0.1
252.10095	0.4
253.04823	0.2
253.08606	1.4
253.10905	0.1
254.09244	0.1
254.11765	0.2
255.06497	1.2
255.10181	0.2
256.07291	1.6
256.09760	0.1
262.08643	0.1
263.09320	0.3
264.10196	1.6
265.10974	1.0
266.05783	0.2
266.09186	0.1
266.11700	0.9
267.06528	10.7
268.06943	0.2
269.04434	0.6
269.07504	0.1
270.05228	4.5
271.05753	0.1
281.11053	0.1
281.13947	0.1
282.11749	0.5
282.14972	0.5
283.06015	9.2
283.58380	0.1
284.06787	13.6
285.07581	1.2
285.10864	0.1
295.06006	7.2
298.04645	0.3
313.07050	100.0
314.07526	0.8
314.13855	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	312.1961
Annotation	Spiradine A
Peak:m/z	Relative Intensity
58.06590	0.2
58.67443	0.2
62.91866	0.2
65.03932	0.9
69.27000	0.5
69.27405	1.2
69.37344	0.2
79.05486	0.3
81.07063	0.6
87.82218	0.2
91.05483	41.3
99.22947	0.2
109.06532	2.2
110.05611	0.2
113.16219	0.2
118.06549	5.2
118.78286	0.2
119.04945	24.7
132.08083	1.3
133.08858	1.1
134.09644	0.4
137.05978	65.6
138.06337	0.4
146.09663	1.7
147.10463	0.4
160.11316	0.2
176.14349	76.1
177.14699	0.4
228.26733	0.2
242.02267	0.2
268.58087	0.2
270.26608	0.2
312.19568	100.0
313.20001	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1959
Annotation	Spiradine A
Peak:m/z	Relative Intensity
50.30878	0.3
54.12322	0.3
58.06594	0.4
58.66297	0.3
65.03950	1.0
71.00513	0.7
71.00854	0.5
77.47981	0.4
79.61163	0.4
81.07053	0.9
91.05486	36.9
94.60094	0.4
102.17565	0.4
105.97735	0.3
109.06534	2.4
118.06538	5.3
119.04948	22.3
119.37710	0.4
132.08081	0.9
134.09676	0.4
137.05984	63.9
138.06332	0.4
146.09642	1.0
176.14354	75.1
177.14674	0.4
192.05667	0.3
222.04678	0.3
226.05074	0.4
235.05542	0.4
269.24866	0.4
280.09662	0.5
288.19476	0.3
312.19577	100.0
313.07047	0.4
313.19940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01870	0.9
55.05514	27.8
56.05851	8.3
57.03440	11.7
57.07077	14.1
57.47790	0.4
58.03775	2.3
58.06618	0.9
58.07416	3.5
60.18576	0.4
61.92937	0.5
67.05508	4.3
68.05821	1.7
69.07072	30.9
70.07407	10.4
71.06094	0.9
71.08640	9.0
72.08974	3.0
73.02915	0.9
79.05498	2.4
79.37758	0.4
79.68474	0.4
80.05822	1.2
81.07063	5.2
82.07394	2.7
83.04987	0.5
83.08622	23.6
84.08953	12.0
85.10202	2.8
86.10508	1.3
91.05479	0.7
93.07037	3.2
94.07374	1.8
95.08607	3.6
96.08944	1.8
97.06524	3.0
97.09543	0.8
97.10174	15.1
98.06876	1.1
98.10504	9.0
101.05963	0.5
107.08570	1.7
108.08913	1.5
109.10157	1.7
110.10497	0.6
111.08076	0.9
111.11716	5.3
112.08401	0.6
112.12044	2.5
121.10132	2.5
122.10495	2.5
122.54907	0.5
123.11717	0.8
124.12031	0.5
125.13277	0.9
135.11676	2.0
136.12021	1.6
139.11194	0.5
144.49942	0.5
149.13249	0.6
150.13620	1.3
164.15175	0.9
165.32332	0.5
220.21535	0.9
238.11436	0.5
238.22368	0.7
246.14908	0.4
267.06567	0.5
280.09775	0.5
297.09848	0.7
312.12439	4.4
312.26151	100.0
313.07062	0.7
313.27350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24443	0.3
55.05484	0.4
58.06601	2.2
59.04966	0.3
63.99910	0.3
65.03913	0.6
67.05486	0.4
69.29565	2.5
71.95802	0.3
76.12762	0.3
79.05465	0.5
81.07032	0.6
91.05482	16.5
93.06987	1.1
95.04955	0.3
95.08584	0.3
95.76283	0.3
97.02913	0.3
98.97523	0.5
109.06497	0.4
118.06557	0.4
119.04947	16.9
121.06483	2.8
123.04420	0.4
125.05143	0.3
130.02872	0.5
130.06529	0.4
131.04861	1.0
132.04491	1.4
135.04367	0.9
137.05042	0.4
137.05983	5.3
149.05984	35.8
158.05940	0.5
165.06950	0.9
174.05548	0.4
176.07115	0.4
176.14348	3.3
177.06866	0.3
179.08603	0.5
184.63861	0.3
192.13799	1.0
193.06462	0.7
194.09691	0.7
195.08086	0.6
204.08096	1.8
205.06499	2.2
216.06528	0.4
221.05972	0.3
221.08408	0.4
222.06946	0.4
222.09142	8.2
223.07478	0.6
232.07527	0.8
233.05983	1.1
233.08170	0.4
234.09099	1.1
235.07443	0.9
235.09821	0.6
237.05536	1.4
237.07649	0.5
250.08658	3.5
251.07019	1.2
251.09399	0.6
252.10275	0.9
254.08177	0.7
262.08652	1.9
263.06650	0.7
263.09384	9.5
264.10107	0.5
266.21222	0.4
268.09698	0.3
278.08063	1.7
279.08896	3.5
280.09686	100.0
281.09964	1.1
284.12958	0.8
294.20654	1.0
297.10059	1.1
300.23691	0.3
312.12311	68.7
312.19217	7.9
313.07040	0.9
313.12808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1233
Annotation	Annocherine B
Peak:m/z	Relative Intensity
55.05494	0.4
55.20128	0.3
55.30247	0.3
55.59422	0.3
56.96543	0.4
58.06604	3.5
65.03928	0.9
67.05466	0.6
69.07056	0.7
70.06561	0.7
71.16238	0.3
72.08161	0.6
74.10001	0.3
79.05450	1.1
81.03388	0.3
81.07050	2.2
83.08615	0.3
84.08125	1.4
91.05486	22.9
93.06997	0.8
95.08583	1.4
98.09143	0.5
98.97572	0.6
106.06562	0.4
107.08586	0.7
109.06510	1.0
116.07065	0.5
118.06561	3.4
119.04958	11.8
130.06496	1.3
131.04959	0.4
132.08084	0.6
133.02808	0.4
135.04422	2.7
135.05260	0.5
137.05983	34.8
137.13272	0.6
146.09616	1.1
147.04424	4.8
149.02307	0.5
149.13170	0.4
152.06239	0.4
153.06947	0.4
160.03894	0.9
161.04712	0.5
165.07014	14.5
167.08527	0.8
174.05504	0.5
174.09169	0.4
176.14359	37.2
181.06496	0.4
182.15352	0.9
186.05551	0.7
187.06351	0.6
192.08130	1.2
193.06499	14.4
194.09671	5.7
196.13319	0.8
202.05014	2.9
203.86679	0.3
204.08104	2.1
205.06494	1.5
207.06837	1.6
220.07536	1.9
221.08246	0.7
222.05641	0.6
222.09148	6.0
223.07584	8.7
223.09731	0.7
224.06862	0.4
224.20068	0.5
232.07500	0.8
233.05975	0.5
236.07048	0.6
237.07768	1.7
240.06558	1.5
241.07259	0.5
248.07141	1.3
249.08125	0.4
250.04904	0.5
250.08658	6.6
251.05733	4.9
251.09500	0.5
252.06645	0.5
252.10220	3.8
262.08636	5.0
263.09378	0.5
264.06583	3.4
264.10220	0.9
265.07321	4.9
266.11679	0.4
267.06573	0.4
269.07861	0.5
277.07434	0.6
278.08133	10.8
279.08459	0.5
280.09702	100.0
281.10010	0.7
284.06760	0.5
284.13000	1.0
284.19919	0.8
297.10330	0.9
312.12354	19.2
312.19586	55.0
312.25467	1.8
313.07034	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	311.2946
Annotation	omega-Cycloheptyltridecanoic acid
Peak:m/z	Relative Intensity
55.05265	1.7
55.05515	24.1
56.96560	1.6
57.07078	17.5
66.70881	1.2
67.05180	2.2
67.05513	31.8
69.07074	54.4
69.33361	11.3
71.04989	1.8
71.08625	7.0
79.05510	11.6
81.07063	92.5
83.04953	1.3
83.08625	35.6
85.06543	14.3
85.10172	3.5
88.46671	1.5
91.05481	4.2
93.07047	17.2
95.08613	100.0
96.43082	1.2
97.06540	1.6
97.10178	20.9
98.20786	2.5
98.97554	2.6
99.08099	8.1
100.11255	1.8
105.07059	2.8
107.08597	17.7
109.06491	1.6
109.10165	53.3
111.08083	3.6
111.11736	17.8
113.09649	1.7
119.08590	2.1
121.10160	11.4
123.11713	28.3
125.09538	1.9
125.13280	7.8
129.12761	2.2
135.01163	1.4
135.11716	9.8
137.06001	1.6
137.13263	12.3
139.14845	2.1
145.10013	1.2
149.13266	22.3
151.14828	19.4
153.16301	1.4
157.15938	1.7
163.14832	12.4
164.19232	1.3
165.16406	7.4
177.16393	3.6
179.17947	4.6
183.17531	1.3
191.17828	1.9
193.19548	2.1
205.19547	2.2
219.21088	3.2
249.25801	4.4
251.10341	1.4
267.26855	2.0
275.20062	5.7
275.27377	10.7
279.09634	1.3
293.28424	15.3
311.05588	2.2
311.18344	3.5
311.29489	20.4
312.12247	2.3
312.19275	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	312.1231
Annotation	Annocherine B
Peak:m/z	Relative Intensity
51.24443	0.3
55.05484	0.4
58.06601	2.2
59.04966	0.3
63.99910	0.3
65.03913	0.6
67.05486	0.4
69.29565	2.5
71.95802	0.3
76.12762	0.3
79.05465	0.5
81.07032	0.6
91.05482	16.5
93.06987	1.1
95.04955	0.3
95.08584	0.3
95.76283	0.3
97.02913	0.3
98.97523	0.5
109.06497	0.4
118.06557	0.4
119.04947	16.9
121.06483	2.8
123.04420	0.4
125.05143	0.3
130.02872	0.5
130.06529	0.4
131.04861	1.0
132.04491	1.4
135.04367	0.9
137.05042	0.4
137.05983	5.3
149.05984	35.8
158.05940	0.5
165.06950	0.9
174.05548	0.4
176.07115	0.4
176.14348	3.3
177.06866	0.3
179.08603	0.5
184.63861	0.3
192.13799	1.0
193.06462	0.7
194.09691	0.7
195.08086	0.6
204.08096	1.8
205.06499	2.2
216.06528	0.4
221.05972	0.3
221.08408	0.4
222.06946	0.4
222.09142	8.2
223.07478	0.6
232.07527	0.8
233.05983	1.1
233.08170	0.4
234.09099	1.1
235.07443	0.9
235.09821	0.6
237.05536	1.4
237.07649	0.5
250.08658	3.5
251.07019	1.2
251.09399	0.6
252.10275	0.9
254.08177	0.7
262.08652	1.9
263.06650	0.7
263.09384	9.5
264.10107	0.5
266.21222	0.4
268.09698	0.3
278.08063	1.7
279.08896	3.5
280.09686	100.0
281.09964	1.1
284.12958	0.8
294.20654	1.0
297.10059	1.1
300.23691	0.3
312.12311	68.7
312.19217	7.9
313.07040	0.9
313.12808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.85796	0.4
51.39530	0.5
52.73139	0.4
53.03931	0.9
55.01866	1.0
55.05513	39.4
56.01869	0.5
57.03440	17.6
57.07077	18.8
59.04992	0.6
67.05505	6.6
69.07071	42.7
70.93387	1.3
71.08635	10.7
73.02895	1.0
79.05488	3.8
81.07063	8.4
83.04993	0.7
83.08620	37.0
85.06522	0.6
85.10184	4.4
87.08144	0.4
93.07055	5.0
95.08611	5.1
97.06561	3.9
97.10173	27.6
107.08570	3.3
109.10127	2.1
111.08090	2.1
111.11040	0.6
111.11731	8.2
121.10155	5.3
123.11700	1.7
123.81249	0.5
125.09623	1.5
125.13275	1.6
135.11696	3.1
137.13252	0.7
139.11172	0.9
149.13260	2.0
163.14853	0.7
181.15962	0.6
204.94327	0.5
209.11679	0.6
219.21165	0.5
226.65419	0.5
237.11221	0.6
237.21977	0.6
302.01514	0.5
311.25809	100.0
312.26205	1.4
328.32019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2946
Annotation	2Z-Phytenic Acid
Peak:m/z	Relative Intensity
51.72189	1.3
53.03945	2.3
55.05513	23.0
55.24913	1.2
56.96548	1.9
57.07079	15.2
60.50051	1.3
63.56340	1.5
65.02998	1.6
67.05170	2.0
67.05511	30.4
69.03432	1.4
69.07072	53.2
70.05817	4.0
71.08627	6.5
79.05499	7.5
81.07062	85.8
83.08148	2.4
83.08628	31.2
83.64630	1.4
85.06539	9.8
85.10169	2.4
91.05489	5.9
92.05843	1.6
93.07038	12.4
93.90638	1.4
94.41318	1.3
95.08613	100.0
97.10184	20.0
98.20726	1.6
98.97556	3.4
99.08092	7.1
100.11240	1.8
102.04437	1.5
105.07024	3.8
107.08601	14.3
108.08122	2.0
109.10167	53.2
111.08099	2.0
111.11740	14.3
113.09651	2.9
121.10137	10.1
123.11723	32.5
125.13280	7.1
127.11169	1.6
133.82668	1.4
135.11687	6.6
137.05956	4.8
137.13263	15.2
139.14746	1.5
143.14328	1.7
149.13283	18.6
151.14838	17.3
157.15921	2.0
163.14809	9.1
165.16429	9.4
179.17946	4.8
183.17438	1.4
191.18018	2.4
193.19540	3.7
196.07574	2.2
199.47791	1.5
202.57838	1.9
219.08054	2.1
219.21088	4.1
225.07762	1.5
225.36201	1.3
226.08633	2.5
238.35295	1.7
245.58127	1.5
249.25851	5.9
252.02179	1.4
253.10626	4.4
267.26874	3.1
269.37479	1.4
275.20178	2.1
275.27292	8.2
279.09610	1.4
280.09845	4.6
281.13803	2.2
283.06073	3.3
293.28378	11.5
311.05478	3.5
311.12805	3.3
311.18335	50.4
311.29520	16.5
312.12363	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	30.2
57.07079	22.6
65.03951	6.1
67.05515	41.4
69.07073	55.8
71.05005	6.3
71.57013	6.0
79.05513	35.8
81.07069	44.1
83.04979	6.6
83.08625	21.9
88.61828	6.4
91.05475	41.7
93.07055	100.0
95.04977	68.4
95.08608	78.2
97.06546	26.0
105.07051	69.1
106.86459	5.8
107.08604	48.0
109.06563	13.4
109.10175	40.4
111.04446	8.7
115.05473	7.8
117.07021	15.6
119.08581	62.6
121.06519	19.5
121.10157	51.0
123.08083	14.1
123.11739	14.9
131.08589	21.0
133.10147	51.3
135.04419	24.6
135.08058	11.0
135.11728	17.2
137.09656	8.4
138.45439	5.8
142.07820	6.3
143.08598	16.6
145.10112	34.3
147.11690	18.4
153.05457	11.6
157.10164	25.9
159.11723	58.1
161.09636	33.0
161.13278	13.0
169.10182	10.4
171.11719	15.9
173.13307	14.1
177.16376	25.5
189.16365	15.7
197.13254	10.5
199.14813	8.4
201.16418	11.7
209.11671	36.3
209.13368	6.0
213.16443	8.5
215.17999	8.8
223.14966	8.0
237.11337	42.2
237.16455	7.3
239.15671	6.1
255.12257	9.9
255.17284	6.2
255.21237	9.2
267.21298	6.8
311.16260	9.6
311.23505	46.1
311.31192	6.8
312.12125	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03941	2.9
55.01867	4.2
55.05519	31.7
56.96568	2.9
57.03439	4.7
57.07069	10.6
67.05511	53.5
69.03426	4.5
69.07078	34.5
71.04986	5.2
71.07079	2.3
71.07378	2.7
73.00344	2.5
79.05499	33.0
81.07066	75.4
83.04975	5.6
83.08630	25.7
85.02905	3.0
85.06536	9.8
91.05490	35.1
93.07049	40.9
95.04967	10.1
95.08614	61.2
97.06523	8.0
97.10152	14.6
98.83527	2.5
98.97576	5.9
99.08094	5.9
105.07036	38.5
107.04942	4.8
107.08600	30.8
109.06530	8.4
109.10159	32.4
111.08085	6.2
117.07005	10.9
119.08595	34.1
121.06495	5.1
121.10170	22.4
123.08060	5.3
123.11729	12.9
125.09608	10.5
125.13337	3.0
127.03921	3.1
131.08588	15.1
133.10139	33.7
135.08052	6.9
135.11688	10.5
137.05995	6.0
137.09583	5.4
137.13278	7.4
139.11209	3.8
143.08633	3.8
145.10164	17.2
147.11697	14.9
149.09631	12.8
149.13246	10.9
151.11163	4.3
157.10139	3.5
159.11719	8.7
161.13213	5.2
163.11218	9.6
163.14801	2.6
165.12827	3.9
165.21451	2.4
169.10037	3.0
171.11633	3.7
173.09711	2.4
173.11766	5.2
173.13206	4.2
175.11217	3.5
177.12669	4.0
183.11830	2.8
189.11211	4.7
197.13179	3.0
209.16570	2.7
215.17780	3.0
229.19583	3.5
229.67308	2.7
235.17027	3.8
235.55106	2.8
239.17897	6.5
247.20448	5.0
251.10768	4.8
257.19012	11.5
275.20084	100.0
279.10123	4.0
283.06039	4.8
293.21240	18.2
293.28156	6.1
311.05515	6.9
311.12729	4.0
311.18253	43.0
312.19742	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	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.34389	3.6
53.03941	5.8
55.01868	17.1
55.05519	23.4
56.96577	3.4
57.03426	8.9
57.07073	25.6
67.05505	56.1
69.03429	21.8
69.07056	20.1
69.94919	15.1
71.04987	12.8
79.05492	39.8
81.03402	4.2
81.07056	100.0
83.04974	19.8
83.08627	18.4
85.02885	14.1
85.06537	5.9
85.37184	3.9
91.05481	45.4
93.07050	38.2
95.04961	12.1
95.08606	41.8
97.06506	13.9
97.10151	7.9
98.20858	4.4
99.08086	6.3
105.07045	52.5
107.04971	6.9
107.08594	45.4
109.06509	16.8
109.10160	43.4
111.04441	18.1
111.08074	8.2
113.06046	4.9
117.07008	7.4
119.08592	36.1
121.10124	19.3
123.08057	10.6
123.11684	13.7
125.05997	6.4
125.09615	11.7
127.07532	3.8
131.08577	15.2
133.10126	58.5
135.11693	9.8
137.05960	4.9
137.09636	11.0
139.11147	4.7
145.10121	17.2
147.11687	16.1
149.09618	9.7
149.13318	3.8
151.11166	28.0
153.05482	16.6
153.12694	4.7
157.10085	6.1
159.11700	9.2
161.09604	6.4
163.11183	10.4
165.09126	4.0
169.10110	5.1
169.12256	8.8
173.13231	3.9
181.04991	4.9
181.12196	13.4
191.10709	6.9
194.72929	3.4
195.13852	10.5
201.16454	5.6
209.09761	6.6
209.11725	84.1
219.17305	4.0
229.19501	4.0
235.16948	19.0
237.11186	72.6
239.17978	5.9
247.20506	6.8
255.12216	23.6
257.19037	14.6
275.20078	83.6
283.06085	6.1
293.17731	9.0
293.21094	40.5
311.05295	4.4
311.18671	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	311.2218
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01863	0.8
55.05304	0.6
55.05515	6.7
56.96539	0.6
57.03435	1.4
57.07075	5.8
62.16306	0.5
67.05508	7.5
69.03407	0.9
69.07069	2.8
71.08632	9.9
71.41648	0.9
79.05508	6.3
81.07063	8.1
83.04968	1.8
83.08615	3.6
85.06554	0.6
91.05492	3.4
93.07031	4.3
95.04948	2.5
95.08623	6.1
95.96614	0.7
97.06518	1.8
97.10165	4.1
99.08105	4.9
105.07021	4.9
107.04954	2.8
107.08595	4.6
109.02882	0.8
109.06502	1.5
109.10139	2.0
111.04459	4.6
111.08060	0.9
117.07017	0.9
119.08553	1.8
121.06506	4.2
121.10138	1.7
121.54992	0.6
123.08052	0.7
125.05997	1.1
125.09679	2.7
131.08566	1.6
133.10106	2.2
135.04391	1.3
135.08028	1.4
135.11717	0.8
135.79437	0.5
137.09572	0.7
139.11211	0.7
145.10153	2.2
147.11742	1.0
149.09641	0.6
149.13203	0.8
151.11188	0.6
153.05499	2.8
159.11717	0.8
161.09630	0.8
163.11192	1.4
165.12775	3.0
167.10616	0.7
173.13222	0.7
177.12750	1.1
181.04907	0.7
181.12186	1.6
189.11147	1.1
191.10680	2.3
209.11732	18.0
225.10739	0.7
237.11229	16.5
255.12273	4.1
257.19040	0.9
275.20096	5.5
283.06009	0.8
292.02365	0.5
293.21106	100.0
294.21307	0.7
311.05533	1.8
311.18558	1.9
312.12268	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03962	2.7
55.01875	32.4
55.05264	3.7
55.05515	50.7
57.03434	5.5
57.07071	3.8
59.18664	2.1
65.03931	4.4
67.05177	3.0
67.05510	45.0
69.03430	7.1
69.07072	27.0
70.66541	2.4
70.66906	5.5
71.04997	11.5
73.02872	2.3
79.05064	3.6
79.05497	53.0
81.03410	5.6
81.07064	77.6
83.04985	32.0
83.08624	36.3
85.06535	4.8
87.04457	2.7
91.05480	29.5
93.07056	34.4
95.04991	15.4
95.08608	34.4
97.06545	42.9
97.10166	40.4
99.08086	3.8
105.07028	32.2
107.04966	4.8
107.08602	100.0
109.06543	5.8
109.10170	10.9
111.04443	9.5
111.08114	6.2
113.06001	12.5
117.07022	8.5
119.08582	11.8
119.46797	1.9
121.06500	4.6
121.10146	13.9
123.08066	6.0
123.11725	4.8
125.05997	10.7
125.09641	93.5
131.08589	14.3
133.10136	12.6
135.08057	10.5
135.11688	14.1
137.09604	2.8
139.11166	8.6
143.08531	3.2
145.10158	13.9
147.11731	12.8
149.09605	8.1
149.13271	3.5
153.09079	3.6
153.12769	13.8
157.10147	2.4
159.08124	2.2
159.11755	11.0
161.13260	6.4
163.11177	16.8
167.10733	8.0
169.10182	4.2
169.12167	2.5
171.10172	7.3
171.11501	2.0
173.13268	4.4
175.11168	3.9
177.12756	11.8
181.12259	10.3
187.11142	3.0
189.11234	35.7
189.12912	2.3
191.10648	2.7
195.13795	4.9
205.12270	8.4
211.13316	6.5
213.14873	5.0
219.17415	2.5
223.13301	23.7
229.19463	3.8
239.18001	3.7
241.14371	4.3
251.16516	2.4
257.19070	9.8
266.34317	2.1
275.20074	98.3
293.21140	84.6
311.22354	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	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03942	5.3
55.01877	30.0
55.05264	4.5
55.05513	46.8
57.03441	4.7
60.00901	2.2
65.03944	4.4
67.05510	42.4
69.03428	6.4
69.07076	23.7
70.80077	7.7
71.04984	11.0
75.66003	2.5
79.05074	3.1
79.05502	54.7
81.03445	3.2
81.07063	75.2
83.04993	34.6
83.08626	28.5
85.02914	3.2
85.06543	4.7
87.04469	2.8
91.05486	28.5
91.71071	2.4
93.07048	32.5
95.04973	13.4
95.08610	34.5
97.06538	38.8
97.10181	36.2
105.07028	24.2
107.04951	5.9
107.08604	100.0
109.06548	5.4
109.10166	12.4
111.04442	8.8
111.08099	8.2
113.05997	10.9
113.92001	2.2
115.15660	2.4
117.01871	2.7
117.07024	6.8
119.08607	15.9
119.67639	2.2
121.06496	4.3
121.10130	12.3
123.08100	6.1
123.11685	5.0
125.05994	7.7
125.09640	82.0
129.06978	2.9
131.08577	10.4
133.10135	15.9
133.56586	2.4
135.08046	6.8
135.11681	18.5
139.11191	7.5
145.10117	12.7
147.11702	8.2
149.09686	14.0
151.11157	2.9
153.12762	14.1
159.11751	8.1
161.09671	4.9
161.13268	3.6
163.11206	11.1
167.10690	6.9
169.10115	4.6
169.12219	2.7
171.10175	6.8
171.11676	4.1
173.13139	3.2
177.12740	7.8
181.12262	8.5
187.11096	3.9
189.11259	28.5
193.12187	3.5
195.13882	3.9
205.12221	10.1
209.11743	5.3
211.13264	6.2
213.14879	6.1
223.13303	19.2
237.11427	5.8
241.14336	6.0
251.16486	3.9
257.19000	9.9
275.20084	86.4
293.17828	4.6
293.21112	78.8
311.22217	8.5
317.72281	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	311.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
56.05025	1.0
58.06596	2.7
59.04997	2.9
60.43702	0.6
61.22881	0.7
67.05530	0.8
69.07086	1.6
70.06583	2.2
70.61306	1.4
70.61642	0.7
72.04532	4.1
72.32101	0.6
74.02428	0.8
79.05499	3.2
80.05019	1.5
81.03444	0.7
81.07053	2.1
82.06609	1.1
86.09716	1.4
87.05583	2.5
88.04010	0.9
89.06039	3.8
91.05486	1.5
93.07056	7.3
94.06584	1.0
95.08590	1.9
96.04504	0.7
105.07040	1.6
106.06541	0.9
107.04961	0.9
107.08612	3.4
108.08127	61.5
109.06575	0.7
109.10144	1.2
109.26665	0.7
110.09695	3.0
111.08100	0.9
117.07045	0.8
119.08565	1.3
120.08072	1.2
121.08891	5.8
122.09676	10.4
123.10471	1.0
123.11716	0.8
124.07586	1.1
133.08627	1.3
133.10176	1.1
134.09674	2.2
135.10529	1.4
135.11693	9.2
136.11200	3.6
137.13283	1.1
141.10204	1.0
148.11331	0.8
150.12793	18.0
151.13596	5.0
152.10777	1.1
152.14359	4.3
153.15187	0.8
162.12785	2.4
164.14368	23.3
165.07886	16.7
166.08636	1.7
166.15941	3.7
178.15948	2.1
179.09393	1.2
179.11852	1.3
179.14331	1.3
180.13771	1.0
190.12292	1.8
195.12332	0.8
196.09741	1.6
204.13831	0.7
206.15430	2.1
208.13344	26.6
208.16980	2.2
210.14896	11.0
213.12384	1.5
221.16528	5.1
223.18056	12.0
235.60176	0.8
240.50859	0.6
249.16016	2.5
249.19633	2.4
250.11908	0.9
250.14450	11.4
251.10800	0.9
251.17545	0.6
252.15938	2.0
267.17062	100.0
268.17258	0.9
269.18719	5.1
279.10107	1.4
284.12787	0.8
293.18564	1.6
294.17050	2.2
311.05496	2.6
311.19666	90.6
312.12369	3.3
312.15659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01875	4.8
55.05514	17.2
56.96596	2.2
57.03437	3.5
57.07079	29.8
67.05506	19.1
69.03412	3.2
69.07073	14.2
69.54559	13.0
71.04996	3.9
79.05502	18.3
81.03419	3.1
81.07064	33.0
81.46581	2.0
83.04976	9.7
83.08627	10.8
85.02914	3.6
91.05488	17.2
93.07050	20.9
94.59624	2.2
95.04971	7.1
95.08606	19.1
96.49483	2.5
97.06540	5.4
97.10194	3.2
98.20838	4.4
99.08083	2.4
105.07034	16.4
107.04976	3.7
107.08606	16.8
107.13503	2.1
109.02888	3.8
109.06519	4.8
109.10160	11.3
111.04433	22.0
111.08141	2.8
117.07033	6.8
119.08585	16.4
121.06487	4.5
121.10145	11.1
123.08071	6.1
123.11677	2.5
125.06000	6.0
125.09640	3.4
129.06946	3.5
131.08563	8.5
133.10133	17.8
135.04382	4.6
135.08057	4.5
135.11679	6.7
139.11131	3.4
141.07028	2.8
145.10132	6.5
147.11690	7.8
149.02354	3.2
149.09608	5.4
149.13301	2.5
151.11142	2.2
153.05484	19.0
155.10684	2.8
157.97163	2.3
159.11713	5.9
163.11201	9.6
167.10565	2.5
173.11723	4.4
173.13266	2.9
181.05009	5.5
181.12225	9.5
189.11234	2.1
191.10616	13.1
193.04924	3.6
197.13124	2.8
209.09773	4.9
209.11746	100.0
235.17003	3.2
237.11230	82.9
239.17976	3.6
247.20699	2.4
255.12312	27.1
257.19006	8.7
257.22079	2.4
275.20056	42.3
283.05917	3.8
293.17459	10.0
293.21121	16.5
310.10645	3.3
311.05511	8.3
311.11096	4.8
311.18494	8.4
311.21793	2.6
311.24072	2.6
312.12085	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	310.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.05514	10.3
56.05025	4.5
64.33601	2.8
65.03955	4.3
67.05507	93.3
69.07069	16.4
71.04974	6.1
71.08654	3.9
71.56116	2.8
79.05489	36.9
80.05037	3.4
81.07061	75.4
82.06574	6.3
83.08634	8.3
91.05478	20.4
92.04990	5.5
93.07048	50.0
94.06575	6.6
95.08610	30.5
97.10159	3.8
97.56582	3.0
103.02018	2.9
105.07037	13.9
106.06567	7.8
107.08584	20.6
108.08118	3.7
109.10184	9.9
111.08100	3.1
117.07032	18.5
120.08137	11.8
121.06569	3.6
121.10143	7.8
122.09656	6.3
131.08589	11.8
133.10176	8.5
134.09637	6.7
135.11710	12.9
149.13284	13.3
150.12802	17.5
153.79715	3.3
159.11717	12.9
167.33676	3.0
176.14362	12.9
194.15384	4.1
198.31535	3.0
204.13892	5.2
209.11967	3.2
209.14290	2.9
222.14896	100.0
237.11311	4.1
292.19543	5.6
292.22699	79.3
295.08148	2.9
310.10733	14.5
310.14151	5.7
310.17981	5.9
310.23697	3.1
310.31024	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.128
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01873	1.9
55.05511	1.1
65.03946	1.0
67.05496	1.6
69.07057	1.5
71.56868	0.8
77.63040	0.8
79.05493	4.6
81.07053	4.1
84.04534	0.8
85.02949	0.9
91.05479	5.5
93.07051	2.5
93.68013	0.8
94.04208	3.8
95.04971	1.7
95.08620	2.2
98.66609	0.8
98.97585	0.9
103.05452	1.1
105.07044	10.2
107.04961	2.4
107.08624	2.8
109.06536	7.2
109.10244	1.0
115.05486	3.3
117.03423	0.8
119.05034	0.8
119.08601	1.7
121.06533	2.7
121.10229	1.2
122.03661	10.4
122.06033	1.3
123.04594	0.8
128.06276	1.6
129.07022	3.6
130.36743	1.0
131.04929	1.7
133.06523	7.1
134.03679	1.0
135.04457	1.1
137.05988	100.0
139.08670	2.0
141.06975	1.3
143.05022	1.0
144.05733	3.3
145.06522	1.9
149.05983	6.2
149.13266	1.4
151.07549	1.9
155.04918	8.3
155.06039	1.1
156.05649	0.9
157.06482	1.2
159.08063	9.6
161.05988	18.5
161.07240	1.4
163.07491	1.3
165.07085	3.0
172.05228	2.4
173.05887	0.7
175.07585	4.5
178.07933	1.0
179.08546	1.5
180.09398	1.2
187.07550	30.3
189.07074	5.9
189.09044	1.4
190.07790	25.3
191.08571	50.9
193.06491	1.7
201.07051	1.8
202.07803	2.4
203.08595	1.1
205.06543	3.4
205.10109	1.2
206.07146	1.0
207.08081	6.6
208.08839	7.1
211.07475	1.1
218.07263	15.8
219.08075	67.9
220.08817	7.2
221.06032	3.0
223.11255	1.5
225.09213	0.9
229.07660	1.7
231.08043	1.6
233.09654	2.2
235.07579	8.6
236.08351	15.8
236.10608	1.2
237.09166	2.3
246.06891	3.0
247.07574	28.6
248.08456	3.6
249.05438	1.2
249.09421	0.9
251.10707	98.7
253.08655	7.5
261.09250	4.0
263.07010	2.1
264.07837	8.8
264.10364	1.5
265.08676	4.3
267.12219	5.5
268.11026	1.4
278.09506	1.2
279.10220	79.7
280.10773	4.3
281.08093	8.9
282.14511	3.5
283.06110	2.9
283.13446	1.9
295.09674	1.7
296.10501	13.1
311.05746	5.7
311.12833	88.3
311.17990	8.4
312.13052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1074
Annotation	Aristolactam BIII
Peak:m/z	Relative Intensity
53.03923	0.6
55.05491	2.1
56.96541	2.3
57.03406	0.7
57.07049	0.7
67.05479	2.3
69.07056	1.7
70.21987	1.6
72.08155	4.6
73.35815	0.5
79.05473	2.4
81.03413	0.8
81.07066	3.6
82.07388	0.8
83.04990	0.9
83.08603	1.3
85.02880	0.6
85.06522	0.6
85.95108	0.6
89.03884	0.5
91.05460	1.6
92.05791	0.6
93.07023	2.2
94.07360	0.9
95.04961	0.8
95.08589	2.3
96.08913	0.6
97.10146	0.5
98.97556	1.5
105.07015	1.0
107.08580	1.2
109.10138	2.0
113.05986	1.1
114.03425	0.6
119.08522	0.6
121.10191	0.9
128.13512	0.5
135.11723	0.6
137.05934	1.7
149.13153	0.6
151.11240	0.9
165.06976	1.8
167.07193	1.0
168.08005	0.6
172.03949	4.7
174.05467	1.6
190.05037	3.0
191.07384	2.5
192.08115	4.3
193.08896	0.8
194.09706	1.5
196.07620	3.8
201.90779	0.5
204.08101	2.1
204.10344	0.5
220.07581	15.0
222.09076	1.6
224.07042	1.3
226.04968	0.9
230.06050	1.2
232.07616	1.5
236.07048	1.0
238.08633	2.6
239.09355	0.6
248.07094	13.8
249.07823	0.7
250.08643	35.0
251.09207	0.7
252.06595	3.8
252.10069	0.9
260.07086	8.9
261.07846	11.1
264.06390	0.8
264.10785	0.6
266.08167	3.9
267.08932	4.1
269.09607	0.7
269.12262	0.7
276.06540	7.3
277.07471	2.9
278.08127	100.0
279.08667	0.5
280.09674	1.0
281.10577	0.7
282.11353	4.5
282.18488	1.3
286.10730	0.8
287.10236	2.3
287.13437	0.7
289.10318	0.7
292.09686	1.0
292.19824	1.6
295.08417	1.1
305.11371	2.1
310.10745	97.7
310.17453	9.3
311.11188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91370	1.8
53.03951	10.2
55.01860	5.6
55.05515	73.5
57.07056	4.5
59.04988	3.3
65.03934	6.0
67.05508	100.0
69.03415	6.0
69.07078	17.5
69.77831	9.7
70.06590	5.8
79.05077	2.1
79.05495	30.8
80.05020	30.6
81.05814	9.5
81.07059	76.0
81.78455	1.8
82.06597	16.2
83.05019	3.8
83.08631	28.5
91.05482	16.3
93.05763	2.1
93.07034	3.2
94.06572	25.4
95.08590	6.3
97.10172	59.7
105.07034	15.5
106.06585	3.1
107.07352	5.4
107.08597	12.8
108.08111	5.9
109.10165	4.5
120.08105	3.7
121.10112	2.3
122.09658	4.7
123.11640	2.9
125.08756	4.0
125.09636	58.0
125.10552	2.9
133.10130	3.0
140.14360	10.8
143.10667	11.6
150.12785	88.0
191.15411	2.2
204.13829	2.5
222.14931	2.2
254.52649	2.1
282.11771	2.1
282.18469	3.4
292.22733	67.4
295.08499	2.9
295.11835	2.5
310.10730	7.5
310.14334	3.4
310.17880	2.8
310.23764	19.0
310.31021	5.7
334.69070	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.279
Annotation	Labdenediol
Peak:m/z	Relative Intensity
55.01857	1.8
55.05514	20.0
57.07088	8.5
58.30958	1.4
59.05006	16.2
67.05170	2.5
67.05510	37.2
67.37241	1.5
69.06731	2.0
69.07076	31.1
71.08620	3.9
71.57204	2.0
71.57566	1.8
79.05499	14.4
81.07062	100.0
83.08627	15.0
85.02920	2.0
85.06548	34.2
91.05474	6.5
93.07047	34.3
95.04990	2.5
95.08614	82.7
97.06519	4.9
97.10182	12.1
98.97596	2.4
99.08103	24.0
102.14720	1.7
102.16555	1.5
105.07031	9.9
107.08596	32.0
109.10163	65.4
111.08089	9.1
111.11713	6.4
113.09646	4.9
117.05506	9.7
119.04961	3.0
119.08601	9.2
121.02882	3.7
121.10155	26.6
123.00790	6.0
123.11721	31.5
125.09629	5.4
125.13201	2.1
129.12744	2.6
133.10156	7.4
134.74686	1.5
135.11696	18.3
137.13257	10.1
139.11169	3.7
141.12708	1.8
141.92113	1.8
147.04457	2.6
147.11690	4.7
149.13281	29.9
151.14824	3.7
153.12737	3.7
155.14355	1.8
158.99553	1.8
161.13277	7.2
163.03954	4.0
163.14824	20.2
165.16449	1.8
167.14308	3.0
175.14757	2.7
177.16420	12.8
179.17967	1.7
181.15826	2.4
189.16370	2.3
191.17918	5.3
203.17918	2.8
205.19519	2.3
207.56613	1.7
209.00920	7.9
217.19563	4.4
221.18892	1.7
231.21234	1.9
235.20552	4.2
247.24263	5.1
265.25317	5.6
273.25745	12.8
281.08084	5.4
291.26816	26.7
292.64325	2.8
309.03928	14.4
309.07550	30.9
309.11121	6.4
309.27927	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	Viteagnusin D
Peak:m/z	Relative Intensity
53.03939	1.9
55.01874	2.1
55.05258	2.2
55.05513	27.0
57.03450	9.9
57.07082	22.5
59.05003	2.1
65.03922	1.8
67.05509	48.5
69.06726	2.9
69.07074	44.7
69.24686	7.0
69.25114	6.7
71.05012	8.4
71.08347	1.3
71.08642	15.2
79.05500	30.6
81.03412	2.3
81.07062	100.0
83.04987	4.6
83.08627	32.6
85.02907	2.7
85.06562	8.0
85.10187	7.7
91.05489	18.4
93.07050	45.1
95.04963	12.6
95.08614	97.7
97.02888	1.7
97.06531	5.7
97.10178	20.4
98.97604	2.2
105.07043	32.4
107.08601	33.7
109.06522	8.1
109.10168	54.0
111.08103	7.0
111.11720	8.9
113.06016	18.5
117.07057	1.6
119.08598	26.1
121.06557	1.6
121.10156	29.4
123.08086	11.9
123.11716	23.7
125.09638	4.3
125.13278	3.7
129.05399	1.6
131.08582	2.7
133.10139	21.2
135.11713	22.3
137.09631	11.2
137.13232	10.7
139.11192	3.6
141.09038	1.8
143.08565	1.4
145.10104	2.6
147.08043	2.2
147.11688	28.8
149.13269	19.0
151.11189	4.9
151.14815	5.9
155.10658	3.3
155.14336	1.5
159.11818	1.7
161.13278	19.9
163.11093	2.1
163.14841	11.1
165.09074	1.5
165.12785	9.1
165.16412	4.6
175.14828	11.6
177.00818	1.7
177.16400	8.0
179.14322	3.1
179.17946	4.2
185.06528	1.3
189.16397	9.1
191.17952	4.2
193.19542	2.3
203.17943	8.1
217.19579	7.6
227.13446	1.5
231.21231	1.9
233.22722	2.3
235.15123	1.8
247.24249	4.8
273.18521	4.0
273.25787	41.6
289.15259	2.5
291.19653	10.9
291.26874	29.0
309.07550	4.8
309.10849	1.8
309.20804	3.3
309.27902	30.2
310.18015	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	309.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
53.17067	2.1
55.01881	5.3
55.05519	18.5
56.73098	2.4
57.03436	7.8
57.07067	3.2
64.47762	2.3
65.03946	5.2
67.05506	35.3
69.07073	25.2
71.04968	4.1
79.05498	34.1
81.03444	5.4
81.07058	51.9
83.04990	5.9
83.08608	7.9
91.05486	47.8
93.07049	70.6
95.04976	53.5
95.08046	4.4
95.08614	47.2
97.06535	22.2
97.10176	3.0
99.08072	3.0
103.05440	2.3
105.07041	85.5
107.04987	4.1
107.08594	34.8
109.06538	9.9
109.10172	22.8
115.05478	2.6
117.07027	20.6
119.07793	4.4
119.08587	60.4
121.06533	11.3
121.10152	100.0
123.08054	9.9
123.11710	6.9
125.79473	2.0
128.06232	6.3
129.06978	12.6
130.07793	7.7
131.08588	34.8
133.07506	2.4
133.10141	40.9
135.08067	6.6
135.11688	14.6
141.07014	4.3
142.07790	16.9
143.08580	32.3
144.09341	8.0
145.06461	2.8
145.10138	45.5
147.08063	5.3
147.11632	13.2
149.09583	2.5
151.11104	2.6
154.07782	2.9
155.08569	9.5
156.09358	6.1
157.10143	31.2
158.10875	3.5
159.08102	3.7
159.11717	35.7
161.09653	7.6
161.13277	8.5
163.11215	2.6
165.07071	3.2
167.08546	4.0
169.10138	16.7
170.10942	3.0
171.11716	16.4
173.09683	4.4
173.13246	19.6
175.11142	3.5
175.14813	9.3
179.08582	4.5
181.10060	5.6
182.10902	3.2
183.11702	7.8
185.13298	10.9
187.11176	11.7
187.14810	18.1
188.11922	2.9
193.10287	4.0
193.12236	3.0
194.10901	3.3
195.11737	4.1
196.12503	3.8
197.13277	7.7
199.14836	11.1
201.16370	2.5
206.11058	3.3
207.11700	3.7
209.13307	8.2
211.14783	6.9
213.12534	2.7
213.16408	3.7
221.13396	5.1
225.16437	5.8
235.92485	2.4
237.16341	2.6
239.18071	2.9
249.16354	3.3
253.15878	3.5
253.19611	3.3
281.22546	4.7
291.19308	4.9
309.07553	4.8
309.22028	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2214
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03933	8.3
55.01866	4.9
55.05514	19.1
57.03433	6.8
57.07076	4.5
67.05510	36.6
69.07069	20.7
69.60690	2.8
69.79875	9.3
69.80283	5.5
71.04974	2.6
79.05121	3.3
79.05502	35.9
81.03445	6.3
81.07061	53.5
83.05003	4.2
83.08614	6.5
84.12042	2.6
91.05489	46.1
93.07050	80.3
95.04974	56.9
95.08054	3.6
95.08614	46.3
97.06535	19.8
97.10173	2.9
98.21394	4.4
103.05459	5.2
105.07037	88.5
107.05009	3.0
107.08600	39.4
109.06522	15.3
109.10162	24.1
115.05456	5.9
117.07042	21.6
119.08592	70.9
121.06493	10.5
121.10152	100.0
123.08051	13.2
123.11700	10.9
128.06215	10.5
129.07010	14.4
130.07806	6.5
131.08575	39.3
133.10135	42.8
135.08051	6.2
135.11729	14.0
141.07039	4.2
142.07787	14.9
143.08585	31.6
144.09351	6.5
145.10132	52.5
147.07996	3.4
147.11705	13.0
149.09599	4.1
152.58659	2.9
155.08531	8.5
156.09334	10.4
157.10141	38.4
159.08139	3.5
159.11708	47.0
161.09631	9.1
161.13278	7.4
167.08588	4.9
168.09351	5.6
169.10114	22.4
170.10898	3.6
171.11667	18.1
173.13277	22.8
175.14835	10.6
179.08557	3.9
181.10104	5.2
182.10921	4.1
183.11703	20.5
184.12531	4.0
185.13228	15.2
187.11159	12.6
187.14836	19.3
193.10162	4.8
194.10873	5.2
195.11729	8.4
196.12471	5.2
197.13226	11.6
199.14749	14.3
200.15575	3.7
201.12862	3.1
206.10773	4.0
207.11685	4.0
209.13249	7.3
211.14731	7.1
212.93610	4.0
213.16364	4.8
215.14359	3.6
220.12543	3.8
221.13205	5.5
223.14844	5.0
225.12740	2.7
225.16483	3.3
235.14824	6.6
241.15733	2.4
251.17789	3.3
253.15871	8.1
253.19646	2.9
273.89465	2.7
281.22519	5.5
291.20950	11.5
309.07623	3.6
309.22113	82.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03944	5.8
55.01865	7.3
55.05514	22.0
57.03439	55.3
57.07070	4.1
59.04998	8.7
67.05508	40.2
69.03423	6.4
69.07080	19.0
69.68395	11.6
70.11716	2.3
71.05004	13.7
71.08640	2.7
72.71925	2.1
79.05065	3.2
79.05499	46.1
81.03423	10.4
81.07064	76.7
83.04974	6.5
83.08606	13.9
85.02917	7.5
85.06545	22.5
91.05490	32.7
93.07053	54.0
95.04974	16.2
95.08616	32.4
97.02888	2.0
97.06544	12.0
97.10170	10.4
98.21571	3.2
98.97589	4.2
99.08099	100.0
100.02223	1.9
102.42377	1.9
102.96883	2.9
103.05486	2.5
105.04518	2.7
105.07038	22.8
107.04954	14.6
107.08607	33.9
109.02847	2.5
109.06526	9.5
109.10165	26.0
111.08087	9.3
113.05993	10.9
117.07041	13.9
119.08589	23.4
121.06518	12.0
121.10141	21.8
123.08077	17.0
123.11708	8.8
125.09634	7.8
127.07561	41.4
128.06265	2.7
129.07011	7.0
131.08595	20.6
133.06483	3.7
133.10124	16.1
135.08087	10.7
135.11717	11.2
137.06010	5.9
137.09607	7.8
137.13278	3.2
143.08583	6.4
145.06477	4.7
145.10127	13.1
147.04410	3.6
147.08061	9.3
147.11703	6.9
149.09633	9.1
149.13274	6.1
151.11168	4.6
157.10144	5.5
159.08177	3.0
159.11714	6.4
160.11223	3.9
161.09645	6.2
161.13258	5.3
163.03897	2.8
163.11206	4.6
163.14813	3.2
165.09120	3.0
168.09441	2.2
171.11717	4.5
173.01349	2.8
173.02901	2.0
173.11909	2.1
173.13263	8.3
175.11198	7.0
177.12814	2.8
177.16461	2.3
179.14325	2.6
183.11703	3.2
185.13223	3.0
189.11192	5.2
191.14297	5.6
193.12332	3.1
195.13661	2.6
199.14793	3.9
201.12779	4.9
207.13837	3.3
217.15857	10.6
219.13760	7.7
221.15369	3.9
223.13373	4.6
227.18034	3.2
231.13780	2.9
235.16914	2.7
245.19075	2.8
249.14935	4.7
255.17499	5.8
263.20059	4.7
273.18494	40.6
273.21231	3.2
277.08517	3.5
282.18549	42.8
291.19565	76.9
291.26730	3.1
309.07532	17.7
309.11346	6.8
309.20657	31.2
309.27829	6.8
310.10770	2.3
310.18066	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03944	5.8
55.01875	16.4
55.05511	30.5
56.96561	2.0
57.03429	6.5
57.07064	3.8
59.05003	2.1
65.03937	3.7
67.05506	78.9
69.03413	3.9
69.07066	31.0
69.88949	3.4
69.89297	10.2
70.07380	2.2
71.04987	8.7
79.05054	3.8
79.05489	44.5
81.03407	3.6
81.07057	86.4
82.07393	3.0
83.01347	2.7
83.05000	14.2
83.08622	10.5
85.02893	4.0
85.06535	9.1
91.05483	48.3
93.07047	44.9
95.04971	14.6
95.08611	34.1
97.02889	3.4
97.06518	5.5
97.10162	5.6
98.21390	2.5
99.04427	7.4
99.08155	2.3
105.07030	56.4
107.04951	8.8
107.08594	62.0
108.08928	2.6
109.06498	14.5
109.10155	83.4
111.04470	5.6
111.08079	10.4
113.06015	7.0
117.07021	7.4
118.99535	2.0
119.08585	14.7
121.06467	9.7
121.10159	8.9
123.04469	3.8
123.08080	6.3
123.11699	16.1
125.09623	4.8
127.07544	4.8
129.06973	4.9
131.08575	16.8
133.06465	8.9
133.10129	100.0
135.08064	7.4
135.11723	6.9
137.05969	3.4
137.09625	3.8
137.30292	2.0
139.07486	5.7
143.08591	5.7
145.10158	11.3
147.08064	10.5
147.11693	5.9
149.09616	7.8
151.11185	73.0
153.09146	2.7
157.10118	4.8
159.11757	4.5
161.09663	13.6
161.13255	3.8
163.11180	3.3
165.09172	3.8
169.12239	24.7
171.11670	5.5
175.11194	6.6
177.09189	2.7
177.12825	3.0
179.10739	4.1
181.08745	2.5
182.39735	2.1
185.13171	2.9
189.12791	2.2
192.49673	2.0
197.32372	2.1
203.14352	4.0
207.13803	2.3
215.12791	9.3
223.15254	3.1
227.17964	3.7
231.13832	2.5
233.15308	2.3
245.18962	16.3
255.17383	3.6
263.19998	14.5
273.18460	40.7
291.19379	64.0
309.13318	3.1
309.20557	29.1
317.17914	3.5
328.15564	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03933	1.5
55.01871	3.6
55.05513	21.3
57.03433	1.3
59.04993	1.0
61.02898	0.6
62.94560	0.6
65.03923	0.6
67.05182	0.9
67.05508	16.3
68.05818	0.8
69.03425	3.6
69.07069	14.0
70.07386	1.4
71.04974	1.4
71.56166	1.1
73.02848	0.6
74.56303	0.6
79.05067	1.0
79.05495	15.0
80.05038	0.7
80.05808	0.6
81.03395	2.2
81.07059	16.9
82.07379	1.4
83.04977	3.1
83.08144	0.8
83.08620	10.9
85.02909	3.1
85.06561	0.5
87.04446	0.6
91.05484	8.2
93.07047	13.4
94.06566	0.8
94.07354	1.3
95.04960	6.1
95.08610	8.2
96.08944	0.9
97.02878	2.2
97.06531	2.0
97.10167	17.0
105.07045	7.1
107.04956	2.8
107.08603	8.9
108.08891	0.5
109.06499	2.1
109.10165	4.3
111.04450	1.7
111.08041	1.6
113.05962	0.7
116.32245	0.6
117.07039	3.1
119.04931	0.6
119.08572	6.7
120.08111	0.9
121.06503	2.7
121.10164	3.7
122.95028	0.5
123.08047	4.8
125.09634	11.8
129.06995	1.6
131.08578	5.0
133.06479	2.0
133.10129	3.1
135.08023	1.8
135.11636	1.1
136.11952	0.8
137.05965	1.2
137.09608	2.2
143.08534	1.2
145.10135	3.6
147.08049	3.5
147.11679	2.7
148.11147	0.6
149.09601	1.9
149.11459	0.5
149.13239	0.6
150.13605	0.7
151.11203	0.6
153.09077	1.1
157.10158	1.4
159.11671	1.3
160.12024	1.0
161.09590	1.8
161.13292	0.5
162.10400	1.2
163.11172	2.0
165.09106	2.0
171.10188	1.1
171.11588	1.1
175.11191	1.9
176.14310	0.7
177.12868	0.6
177.14685	1.6
185.13202	0.9
189.11217	7.0
189.12726	0.9
193.12222	1.5
212.93332	0.6
217.19550	0.5
222.14900	1.1
223.13231	6.2
223.15233	4.3
225.15727	0.5
229.63538	0.7
240.75380	0.6
245.14806	0.5
245.18996	1.6
249.14859	1.7
255.17413	1.6
263.20065	1.0
273.18491	10.4
291.19485	100.0
292.19934	1.1
301.19955	1.1
309.07291	1.2
309.13269	0.8
309.20462	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	Albocycline
Peak:m/z	Relative Intensity
53.03960	1.5
55.01876	5.8
55.05511	2.0
56.96573	1.2
57.03439	30.8
57.07058	2.4
59.70037	1.3
62.87035	1.2
65.03933	1.6
67.05507	24.6
68.67902	1.6
69.07053	4.6
69.52872	6.7
71.04984	4.2
79.05490	10.7
81.07059	10.2
83.04992	1.2
83.08642	2.1
84.50508	1.2
85.02905	4.3
85.06540	30.1
90.18523	1.2
90.29291	1.1
90.89676	1.1
91.05482	8.8
93.07054	9.9
95.04389	1.6
95.04979	32.6
95.08607	6.1
97.06552	1.6
105.07022	5.7
107.04956	3.2
107.08614	7.7
108.93753	1.4
109.06524	34.8
109.10207	1.4
113.06010	100.0
117.07022	5.3
119.08581	5.1
121.06474	2.0
121.10156	2.8
122.03641	2.8
123.04002	2.9
123.08103	2.8
124.04205	1.9
125.04474	1.4
129.06996	3.1
131.08566	5.4
133.10124	4.3
134.10382	1.4
135.08064	28.4
135.11708	3.2
137.05986	30.5
138.06322	51.1
139.06532	50.4
140.06760	28.3
143.08615	3.0
145.10149	2.8
147.11740	1.3
149.09607	4.1
157.10168	3.0
159.11678	1.8
161.09622	4.7
163.11131	1.9
171.11784	2.0
171.15785	1.3
173.13177	2.2
175.11241	1.4
183.15701	1.4
187.14958	1.6
195.11731	1.9
195.13622	1.7
199.14873	2.3
201.12807	1.8
217.15855	10.7
223.13605	1.2
255.17480	2.8
273.18527	14.3
291.19550	74.8
309.07498	2.1
309.21017	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	309.2063
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03931	11.1
54.29675	4.8
55.01864	14.2
55.05508	31.1
57.03457	22.4
65.03928	8.4
67.05512	71.4
69.03426	9.1
69.07064	19.2
69.32262	31.0
71.04987	14.9
75.04454	4.9
79.05492	58.8
81.03416	12.1
81.07063	66.0
83.04975	17.2
83.08615	14.1
85.02901	19.3
85.06545	12.4
91.05492	30.6
93.07056	51.7
95.04979	73.3
95.08598	30.0
97.06545	12.0
98.21531	8.9
98.38786	4.5
99.08081	6.3
105.07037	40.8
107.04948	17.9
107.08614	29.3
109.06524	57.3
109.10163	10.8
111.04429	19.3
111.08070	6.3
113.06007	20.8
117.06996	10.0
119.08585	30.1
121.06473	9.2
121.10147	16.5
123.08058	13.0
129.07010	9.4
131.08588	28.0
133.06548	8.3
133.10112	12.0
135.08069	49.6
135.11684	13.6
137.09633	7.8
143.08559	12.0
145.10112	20.5
147.04488	6.0
147.08076	10.0
147.11726	7.1
149.09631	10.7
153.12776	5.8
157.10109	9.5
159.11705	13.2
161.09653	9.6
163.11124	12.4
171.11726	8.3
172.17075	4.5
175.11256	4.9
177.12889	5.7
181.12219	9.2
185.13356	5.9
191.10571	8.3
199.14803	7.6
217.15858	11.6
227.12750	5.6
255.17439	6.8
263.19974	6.1
273.18497	41.4
291.19568	100.0
309.07486	10.3
309.20578	5.4
309.25571	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	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03927	1.3
53.96694	1.0
55.01879	5.7
55.05512	5.9
56.96553	1.2
57.03440	34.3
57.07075	1.4
62.90644	0.8
65.03920	1.2
67.05507	29.2
69.07051	3.1
69.30209	7.3
71.04997	4.1
79.05492	12.6
81.07057	13.5
83.04948	1.2
83.08616	1.4
85.02902	1.8
85.06548	34.4
91.05485	12.0
93.07040	10.6
94.29259	0.8
95.04972	45.3
95.08611	8.7
97.06523	2.3
99.08116	0.8
105.07050	8.3
107.04934	3.4
107.08588	8.6
109.06523	38.6
109.10133	2.3
111.08101	1.5
113.06009	100.0
117.07025	7.1
119.08588	6.6
121.06474	1.6
121.10136	4.6
123.08051	2.5
129.06987	3.5
131.08577	8.8
131.55115	1.0
133.06442	1.2
133.10126	3.8
135.08063	32.7
135.11670	4.5
141.06940	0.8
142.07751	1.1
143.08543	4.4
145.10147	4.6
147.08020	2.0
147.11676	1.5
149.09598	2.9
157.08867	0.8
157.10109	4.4
159.08112	1.4
159.11688	3.7
161.09605	5.6
161.13219	1.0
163.11220	1.4
171.11678	3.0
173.13263	1.1
175.11099	0.9
175.58362	0.8
177.12767	2.0
183.11726	1.6
185.13293	0.9
189.12732	0.9
199.14793	2.9
201.12695	1.6
207.13882	0.9
217.15872	12.5
227.17953	0.8
245.18970	1.2
255.17537	1.6
273.18494	16.5
291.19553	50.0
309.20538	2.7
315.59265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03952	12.1
55.01855	5.8
55.05513	43.5
57.03437	14.3
57.07092	1.8
59.05004	1.9
65.03935	2.3
67.05505	39.8
69.03414	6.1
69.07076	17.9
71.05006	8.7
72.70770	1.4
73.02901	1.6
79.05498	81.4
81.03423	15.5
81.07061	54.2
83.04973	6.4
83.08208	2.0
83.08623	23.3
85.02885	6.4
85.06544	9.9
91.05486	38.3
93.07047	100.0
95.04974	23.9
95.08041	2.4
95.08606	22.3
96.18820	1.4
97.06527	18.6
97.09552	1.8
97.10173	33.7
98.97583	2.2
99.04466	1.6
99.08069	7.4
105.04500	2.0
105.07034	23.8
107.04959	12.0
107.08601	26.2
109.06526	16.5
109.10181	8.7
111.08048	4.2
113.06012	27.8
113.09666	2.3
113.28053	1.6
117.07016	10.1
119.08585	21.2
121.06491	5.9
121.10151	37.8
123.08073	21.8
123.11718	2.8
125.09637	31.5
129.06978	3.9
131.08572	13.7
133.06522	2.8
133.10129	12.2
135.08043	10.9
135.11684	9.6
137.09605	5.4
141.06961	2.6
143.08577	4.7
143.10686	2.0
145.10138	11.1
147.08022	5.9
147.11659	5.5
149.09619	3.9
149.13246	4.3
151.11136	3.5
153.09145	2.5
157.10165	8.7
159.08026	1.9
159.11681	9.7
161.09630	4.3
163.11156	4.0
165.09151	3.1
169.10193	2.0
171.10197	2.3
171.11661	4.1
175.11255	3.2
177.12755	5.0
185.13182	2.3
187.11217	6.3
189.09618	2.4
189.11235	25.4
189.12758	1.6
189.16377	2.2
195.13814	3.9
199.14810	5.0
205.12164	3.6
217.15906	9.5
219.13914	2.1
221.15388	4.2
223.13286	14.0
227.17816	1.8
233.15230	2.3
245.19080	2.3
249.14835	2.3
255.17494	4.4
263.20081	3.5
273.18530	22.8
291.19562	47.3
309.07468	4.8
309.17371	3.0
309.20612	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03935	4.1
55.01869	10.5
55.05263	2.1
55.05513	32.3
56.96551	1.7
57.03439	30.5
57.07071	2.1
59.04998	2.6
67.05508	29.6
69.03429	4.0
69.07076	11.9
70.51985	3.0
70.52358	3.3
71.04980	3.5
77.55865	1.5
79.05496	43.1
81.03422	3.3
81.07057	52.8
83.04982	4.4
83.08623	18.3
85.02887	2.7
85.06537	5.0
86.76689	1.4
91.05482	32.1
93.07049	24.0
95.04964	9.3
95.08618	17.7
97.06520	5.5
97.10181	21.6
98.20730	1.6
99.08085	6.2
102.54076	1.4
105.03400	1.5
105.07034	22.9
107.04949	22.6
107.08608	23.2
109.06513	21.9
109.10154	9.3
111.08077	3.7
113.06000	2.1
115.05463	2.4
117.07012	24.5
119.08579	44.5
121.06508	11.7
121.10162	8.7
123.08059	11.7
125.09638	17.2
129.06995	5.4
131.08572	14.7
133.06499	2.9
133.10159	7.8
135.08089	13.4
135.11687	3.2
137.09598	3.2
137.65018	1.6
142.07712	1.9
143.08566	7.7
145.06512	2.2
145.10120	21.4
147.08055	24.2
147.11658	5.3
149.09616	4.6
149.13248	1.6
153.09148	2.9
155.08534	2.4
157.10126	7.6
159.08005	3.2
159.11699	6.4
161.09634	8.5
161.13281	2.4
163.11159	2.9
165.09041	2.4
169.10091	3.1
171.10327	2.4
171.11710	4.2
173.13304	5.9
175.11194	3.5
175.14923	2.2
177.12755	2.0
183.11703	3.2
185.13229	2.3
189.11220	12.3
189.12773	2.0
189.16347	2.0
191.14302	2.6
199.11092	1.9
199.14839	2.9
201.12761	3.6
203.14345	1.4
216.25137	1.3
217.15891	4.8
219.13834	10.4
223.13281	4.3
227.17982	3.2
235.16885	2.7
245.18999	3.4
249.14969	7.3
255.17465	5.7
263.20132	2.2
272.19952	1.6
273.18494	51.5
273.25607	1.3
291.19543	100.0
309.07486	3.1
309.20398	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03938	6.8
55.01866	10.8
55.05513	26.0
56.96566	7.4
57.03440	76.9
57.07061	3.5
57.87650	3.6
60.10294	2.9
61.19820	2.9
61.71576	2.8
67.05508	60.2
69.03422	7.2
69.07075	30.3
70.03065	12.9
71.05009	16.1
75.04481	6.4
76.39168	2.7
76.97361	3.2
79.05496	65.2
81.03400	11.5
81.06584	5.0
81.07060	100.0
83.04974	12.0
83.08607	13.0
85.02901	4.7
85.06553	18.7
89.92149	2.8
91.05486	68.9
93.07046	89.0
95.04974	25.7
95.08610	52.4
97.06529	53.4
97.10152	8.5
98.97605	4.0
99.08092	43.3
103.05466	3.1
105.07038	56.4
107.04948	24.5
107.08600	55.2
109.06530	28.7
109.10141	23.1
111.04451	3.9
111.08070	8.3
113.05969	11.4
115.05444	3.7
117.07024	30.8
119.04887	3.6
119.08601	43.5
121.06524	15.0
121.10164	33.0
123.08057	14.6
123.11698	5.0
125.09634	5.9
127.07525	15.1
128.06178	5.1
129.07010	17.7
131.08577	37.2
133.06511	7.7
133.10143	35.6
135.08066	28.5
135.11746	15.6
135.62613	3.2
137.05911	3.4
137.09613	8.9
139.07521	3.3
141.06964	6.3
142.07788	5.6
143.08568	13.5
145.10132	33.8
147.08028	16.8
147.11708	14.6
149.09634	16.4
149.13257	6.6
151.11150	9.3
155.08565	6.0
157.10132	19.6
159.08070	6.2
159.11705	17.0
161.09608	14.3
161.13251	5.8
163.11156	8.2
165.09065	6.2
167.10658	3.9
169.10258	4.1
171.11684	9.9
173.09621	5.6
173.13271	15.3
175.11176	7.5
179.10664	4.5
183.11629	7.3
185.13322	6.5
187.11111	4.7
187.14873	3.3
189.04340	3.3
189.12740	4.8
189.16284	4.1
193.12265	4.2
195.13739	2.9
199.14862	15.0
201.12756	10.8
213.07947	10.7
217.15872	35.2
219.13884	18.4
221.15417	6.1
223.13388	6.0
227.17874	7.8
231.09013	10.3
233.15291	9.4
235.16974	3.9
237.16560	6.5
245.19089	10.2
249.14935	6.0
251.16333	4.1
255.17432	10.5
263.20102	13.1
271.90445	3.4
273.18491	59.7
291.19568	86.8
298.96420	3.2
309.07376	5.0
309.20642	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.02369	1.4
53.03936	4.6
55.01668	1.1
55.01873	13.1
55.05512	56.1
56.96543	3.7
57.03441	9.3
57.07067	2.8
59.04993	2.9
61.02923	1.3
64.54781	1.0
65.03931	1.7
67.05506	48.4
69.03425	9.9
69.06726	1.6
69.07069	22.3
71.04998	7.4
71.08608	2.0
71.56059	1.9
79.05494	47.0
81.03065	1.2
81.03428	13.8
81.07058	79.9
83.04975	16.4
83.08143	1.9
83.08622	35.8
85.02898	12.5
85.06522	5.2
91.05476	22.5
93.07047	51.1
95.04970	29.6
95.08607	49.3
97.02905	1.4
97.06525	9.1
97.10173	49.1
98.97579	2.7
99.04457	2.6
99.08066	2.5
101.09663	2.1
105.04485	1.4
105.07034	28.7
107.04964	7.3
107.08596	31.6
109.06498	8.8
109.10161	16.2
111.04461	10.2
111.08080	8.2
113.05991	3.4
115.05412	1.6
116.98650	1.6
117.07010	9.1
119.04955	1.8
119.08582	24.4
121.06503	5.5
121.10135	17.9
123.08070	81.1
123.11694	12.3
125.09631	39.8
129.05431	1.6
129.06992	3.9
131.08562	12.5
133.06459	3.0
133.10153	14.7
135.08098	7.8
135.11726	7.9
137.09612	9.9
139.11185	3.1
142.07828	1.2
143.08620	3.1
143.10693	2.2
145.06487	1.5
145.10136	13.6
147.04390	1.6
147.06540	1.9
147.08034	9.5
147.11699	7.9
149.09607	6.4
149.13271	5.3
151.11172	3.1
153.09084	4.6
153.12756	3.6
155.08574	1.6
157.10138	7.5
159.08116	2.0
159.11688	4.3
161.05968	1.3
161.09622	6.7
161.13184	2.2
163.11186	16.0
163.14885	1.6
165.09106	9.3
165.12782	1.3
169.10144	1.6
169.12276	7.8
171.10228	2.8
171.11626	2.2
173.09566	1.3
173.13226	2.5
175.11195	5.1
175.14912	2.1
177.12674	1.7
181.12222	6.1
185.13219	1.6
187.11313	1.8
187.13287	8.6
189.11221	32.4
189.12814	1.7
191.10657	3.8
193.12309	8.7
199.11201	2.0
199.14891	2.5
209.11644	1.9
211.13329	6.3
213.16243	1.4
217.15910	3.5
223.13367	9.2
227.12708	2.7
227.17960	2.9
231.13876	1.2
233.15417	1.6
237.16441	1.7
245.18996	4.1
247.08536	1.3
247.16905	1.7
248.06998	1.8
249.18410	1.3
250.08575	2.2
255.17345	5.8
255.51102	1.2
263.20062	3.4
265.17819	1.4
267.09158	1.3
268.09335	2.5
273.18512	42.0
273.25748	3.3
278.08109	5.1
285.10226	1.6
286.10367	5.3
291.19550	80.7
303.11200	1.8
304.11432	5.5
309.07739	6.0
309.16696	100.0
309.20517	24.8
309.50897	1.2
310.10748	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.1
55.01855	5.8
55.05513	43.5
57.03437	14.3
57.07092	1.8
59.05004	1.9
65.03935	2.3
67.05505	39.8
69.03414	6.1
69.07076	17.9
71.05006	8.7
72.70770	1.4
73.02901	1.6
79.05498	81.4
81.03423	15.5
81.07061	54.2
83.04973	6.4
83.08208	2.0
83.08623	23.3
85.02885	6.4
85.06544	9.9
91.05486	38.3
93.07047	100.0
95.04974	23.9
95.08041	2.4
95.08606	22.3
96.18820	1.4
97.06527	18.6
97.09552	1.8
97.10173	33.7
98.97583	2.2
99.04466	1.6
99.08069	7.4
105.04500	2.0
105.07034	23.8
107.04959	12.0
107.08601	26.2
109.06526	16.5
109.10181	8.7
111.08048	4.2
113.06012	27.8
113.09666	2.3
113.28053	1.6
117.07016	10.1
119.08585	21.2
121.06491	5.9
121.10151	37.8
123.08073	21.8
123.11718	2.8
125.09637	31.5
129.06978	3.9
131.08572	13.7
133.06522	2.8
133.10129	12.2
135.08043	10.9
135.11684	9.6
137.09605	5.4
141.06961	2.6
143.08577	4.7
143.10686	2.0
145.10138	11.1
147.08022	5.9
147.11659	5.5
149.09619	3.9
149.13246	4.3
151.11136	3.5
153.09145	2.5
157.10165	8.7
159.08026	1.9
159.11681	9.7
161.09630	4.3
163.11156	4.0
165.09151	3.1
169.10193	2.0
171.10197	2.3
171.11661	4.1
175.11255	3.2
177.12755	5.0
185.13182	2.3
187.11217	6.3
189.09618	2.4
189.11235	25.4
189.12758	1.6
189.16377	2.2
195.13814	3.9
199.14810	5.0
205.12164	3.6
217.15906	9.5
219.13914	2.1
221.15388	4.2
223.13286	14.0
227.17816	1.8
233.15230	2.3
245.19080	2.3
249.14835	2.3
255.17494	4.4
263.20081	3.5
273.18530	22.8
291.19562	47.3
309.07468	4.8
309.17371	3.0
309.20612	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	309.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03675	0.6
53.03932	2.7
55.01871	5.8
55.05511	22.3
56.72020	0.7
56.96569	3.8
57.03442	4.7
57.07058	3.1
59.04991	1.1
63.22824	0.7
65.03947	1.3
67.05505	21.9
68.99787	0.6
69.03427	3.6
69.06729	0.8
69.07071	11.3
70.20879	0.6
71.01350	0.6
71.05003	3.6
71.08617	2.2
71.56205	0.9
72.08152	0.7
73.53417	0.6
75.04488	1.0
77.03914	0.7
79.05495	20.0
81.03421	7.1
81.07062	34.5
83.04988	5.7
83.08147	0.8
83.08621	13.5
85.02905	7.6
85.06540	2.1
87.35331	0.6
91.05482	13.2
93.07045	23.1
95.04970	15.4
95.08613	22.1
97.06543	3.7
97.10175	17.8
98.97580	1.3
99.08090	2.7
105.04496	0.9
105.06381	1.1
105.07030	13.5
107.04959	3.4
107.08595	14.5
109.06521	4.4
109.10168	9.8
110.97601	0.9
111.04464	3.9
111.08099	4.7
113.05994	2.8
116.98595	1.2
117.07033	4.5
119.08589	11.0
121.06528	3.2
121.10155	8.7
123.08070	25.1
123.11705	4.6
125.09626	13.3
129.05489	0.9
129.06993	2.9
131.08568	5.7
133.06480	0.8
133.10139	8.1
135.04411	0.6
135.08116	3.4
135.11688	3.9
137.09615	4.1
137.13280	1.0
139.11179	1.4
143.08569	2.4
143.10626	0.8
145.10141	5.3
147.06541	0.8
147.08066	3.1
147.11679	4.7
149.09636	3.2
149.13232	2.5
151.11176	2.7
153.09113	1.3
153.12706	1.7
157.10150	3.1
159.08076	0.8
159.11690	2.0
161.03020	0.7
161.09653	2.0
161.13232	1.8
163.03925	0.7
163.11227	5.8
163.14819	1.1
165.09085	4.4
165.12737	1.1
167.10588	0.8
169.10081	0.8
169.12286	2.7
171.10184	0.8
171.11652	1.5
173.09621	0.9
173.13171	1.0
175.11165	3.8
175.14867	1.6
179.10725	0.8
181.12245	2.1
185.13210	0.8
187.11362	1.5
187.13298	3.2
189.11240	11.0
189.12766	1.0
189.16399	1.0
191.10680	1.7
193.12277	2.9
199.11375	0.7
199.14789	2.1
205.12300	1.1
211.13269	3.2
213.16484	0.9
217.15887	2.7
222.09048	0.7
223.13339	3.5
227.12637	1.1
227.17926	1.2
240.09816	1.1
245.19070	1.4
249.18544	1.0
250.08604	1.3
255.17531	2.8
260.07172	0.8
263.20215	2.2
268.09500	3.6
273.18500	16.6
273.25839	2.8
277.08585	0.8
278.05472	0.8
278.08023	3.6
285.10159	1.7
286.10461	9.4
291.19540	31.9
291.22827	1.6
291.26624	1.3
303.11145	1.8
304.11536	9.2
309.07617	3.6
309.16754	100.0
309.20496	10.8
309.27969	2.7
310.10815	3.8
327.13104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2221
Annotation	Paniculine
Peak:m/z	Relative Intensity
53.03939	9.0
55.01875	4.4
55.05269	3.2
55.05515	43.9
56.05040	4.6
58.06597	2.0
63.21309	1.7
65.03932	7.7
67.05507	39.5
68.05043	3.2
69.03430	2.6
69.07071	76.6
69.07449	3.8
69.81686	11.6
70.06587	3.0
79.05497	61.3
80.05041	13.2
81.03409	3.3
81.07063	38.1
82.06582	5.8
83.04992	4.5
83.08623	22.7
84.67966	1.9
85.02903	2.8
91.05481	35.4
92.05009	12.9
93.05799	12.6
93.07047	39.6
94.06564	7.8
95.04958	8.0
95.08601	12.1
96.04475	3.1
96.08164	2.5
97.10175	26.4
98.06056	3.5
103.05489	2.2
105.07047	12.2
106.06557	21.3
107.07375	4.3
107.08596	18.0
108.08107	6.3
109.06549	2.7
109.10164	5.0
110.06055	2.4
115.05421	3.0
117.07037	13.1
118.06546	8.0
119.07310	3.8
119.08575	6.1
120.08107	12.5
121.10159	12.2
122.09664	3.5
124.11181	2.6
125.09639	26.0
129.07141	3.0
131.08577	18.7
132.08063	5.4
133.08882	4.4
133.10118	1.9
134.09659	9.2
135.11693	2.2
137.05995	4.6
138.12805	5.5
144.08151	3.0
145.10156	3.2
146.09668	3.4
148.11209	74.7
159.11688	9.0
163.03911	3.4
165.12732	3.0
166.13127	4.4
176.14354	24.6
179.38182	1.9
184.19141	2.6
186.12785	5.7
204.13834	30.7
222.14917	39.5
274.36511	2.1
290.21155	100.0
301.20120	6.7
308.18973	2.0
308.22263	34.3
317.17963	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	308.2221
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
51.02375	1.8
52.43736	0.9
52.45482	1.1
53.03947	10.5
55.01876	6.6
55.05516	68.9
56.05023	2.9
56.54039	0.9
56.96560	3.7
57.03411	2.7
57.07076	2.2
59.05003	3.8
61.02923	2.1
65.03953	5.2
65.41508	0.8
67.04259	1.0
67.05171	1.6
67.05511	25.2
68.05041	2.0
69.03453	5.2
69.07074	22.7
70.06582	1.3
73.02917	1.3
77.03944	1.0
79.05499	100.0
80.05019	7.6
80.06264	1.1
81.03419	2.2
81.07067	23.5
82.06594	14.3
83.04976	5.2
83.08627	25.7
85.02905	2.5
85.06522	1.1
91.03952	2.3
91.05488	35.3
92.05018	12.4
93.05794	4.1
93.07050	66.3
94.06590	7.6
95.04990	7.4
95.08604	8.2
96.04481	1.8
96.08156	1.2
97.02894	2.5
97.10179	42.2
98.20763	3.6
100.49728	0.9
101.06009	1.1
103.05457	2.1
105.04533	4.1
105.07044	11.1
106.06564	17.2
107.07358	1.7
107.08605	18.2
108.08112	3.1
108.08862	1.1
109.06445	1.0
109.10130	1.7
110.06070	1.3
115.05466	1.7
116.06232	2.9
117.07018	3.3
118.06544	4.8
119.07317	2.8
119.08594	4.1
120.08105	6.7
121.10156	18.8
124.11233	1.6
125.09641	47.2
129.06992	3.4
130.06531	0.9
131.08582	13.1
132.08134	5.9
133.08885	3.3
133.10139	1.7
134.09644	3.7
137.05949	1.8
138.12791	3.9
143.10722	5.3
145.10184	1.2
146.09596	4.7
147.10435	1.2
148.11217	37.4
152.81633	1.1
159.11777	1.8
160.11171	1.0
162.12772	3.0
164.07100	2.1
175.07458	1.4
176.14374	6.4
177.07867	1.0
186.12775	2.2
202.62581	3.0
204.13939	6.8
204.15591	1.1
215.20859	0.9
222.14900	9.4
260.16245	1.5
262.03299	1.5
262.18079	1.3
267.09119	1.1
271.13782	1.1
272.20120	2.3
272.82028	1.0
276.20447	2.3
285.10095	1.1
290.21164	36.7
291.21796	1.4
301.20233	1.9
308.19189	1.5
308.22217	14.7
310.08939	1.1
317.17938	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	308.222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.02395	0.2
55.05508	0.5
56.96561	0.6
57.07067	0.5
58.02952	0.2
60.64709	0.2
63.55030	0.2
67.05496	0.4
69.07056	0.6
71.08629	0.7
79.05496	0.7
81.03397	0.2
81.07059	1.6
86.09687	0.3
87.54308	0.2
91.05466	0.6
93.07069	0.2
94.04179	1.5
95.08607	0.7
97.02871	0.2
99.08100	0.2
107.04933	0.3
107.08577	0.3
109.06517	0.7
109.10114	0.2
110.70100	0.2
111.11723	0.3
117.07034	0.3
121.10125	0.2
122.03648	6.0
128.10768	0.3
137.05980	100.0
137.13235	0.5
138.06358	0.4
142.97708	0.2
155.14323	0.6
163.03877	0.3
165.12744	0.3
172.16963	1.6
184.16974	3.1
199.06540	0.2
259.86966	0.2
261.71609	0.3
267.09152	0.4
271.13745	0.4
280.84134	0.3
285.10068	0.4
290.21255	0.4
291.23245	0.9
301.20056	0.3
308.22382	0.5
308.25897	0.5
317.17627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.01871	2.5
55.05513	12.8
56.05041	2.8
57.03438	1.6
59.04995	1.1
65.03937	3.8
67.05508	75.3
68.05017	2.2
68.26094	1.2
69.07072	73.8
69.73067	6.7
70.06605	1.5
71.04988	3.8
73.06561	1.4
79.05498	31.6
80.05024	21.6
81.03419	1.6
81.07060	58.8
82.06582	5.5
83.04981	1.7
83.08610	4.8
84.08138	1.4
85.06528	2.8
91.05489	18.5
92.05023	5.5
93.05793	3.4
93.07053	40.5
94.06577	9.8
94.80696	1.3
95.04974	4.7
95.08617	23.5
96.04512	3.2
96.08137	3.9
97.06544	2.6
98.06066	5.3
103.05443	1.8
105.07021	11.1
106.06575	10.5
107.08606	17.3
108.08126	5.7
109.06511	2.9
109.10154	7.7
109.21221	1.2
110.06043	2.4
110.09676	2.4
113.06017	1.4
115.05473	2.2
117.07011	10.4
118.06549	3.5
119.08600	3.8
120.08111	11.0
121.06502	2.5
121.10157	5.5
122.09668	2.4
123.08043	1.3
124.11280	1.6
129.06999	1.7
131.08572	9.2
132.08160	2.6
133.09233	1.2
133.10126	8.8
134.09647	7.3
135.08072	3.3
135.11702	12.1
144.08153	1.4
147.11716	2.4
148.11227	16.5
149.09727	1.3
149.13283	10.1
159.11681	10.7
160.11290	1.7
162.12791	2.2
174.12801	1.3
176.14365	32.6
177.12781	6.5
186.12878	2.2
194.15410	6.5
204.13863	10.8
222.14906	37.1
290.21155	100.0
291.21515	2.2
308.22336	2.7
317.17917	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	308.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01860	0.7
56.05040	0.5
56.96565	1.8
57.00943	0.4
57.03421	1.0
58.06604	5.4
60.04512	0.5
60.53162	0.4
61.02917	1.3
62.24879	0.3
63.82716	0.3
66.82656	0.4
69.03439	1.8
70.06579	1.8
70.17691	0.7
70.18085	0.7
70.98116	0.8
71.01358	0.5
72.08160	22.2
73.02912	1.4
74.06068	0.4
75.09251	2.1
75.69946	0.4
79.05500	0.8
81.03417	0.6
81.84111	0.4
84.04506	0.8
84.08150	6.3
84.76459	0.3
85.02913	2.6
87.04459	0.5
88.03971	0.4
89.03907	2.8
89.10810	0.4
90.05589	0.3
91.05473	0.5
95.01288	0.3
97.02891	1.1
98.05997	0.5
98.97607	2.4
99.04422	0.4
101.00880	0.8
101.02380	0.4
101.10787	0.7
102.00954	0.6
107.04985	1.5
110.07221	0.5
110.97573	0.6
112.11250	14.2
115.02515	0.4
116.98602	0.6
117.03379	6.1
119.01841	1.0
120.02007	0.7
124.22028	0.4
124.87761	0.4
127.03907	1.3
128.98631	0.8
129.10262	0.7
129.13889	6.4
130.06511	1.5
131.01889	0.8
132.04416	0.4
135.04424	12.8
137.06009	1.0
141.34738	0.3
145.01746	0.7
145.02859	11.6
145.04938	0.7
146.16530	6.9
146.99684	0.7
154.96509	0.4
155.11819	1.2
157.07614	1.5
158.06068	0.8
159.09300	0.5
161.02998	0.6
163.03917	100.0
164.04317	0.6
172.97629	0.8
174.99182	0.4
175.08702	1.5
189.02423	0.4
193.00395	0.4
201.25139	0.4
203.04112	0.5
205.04637	0.6
208.02895	1.8
219.03561	0.5
220.09694	4.5
223.12279	1.1
226.03955	2.0
227.04074	0.6
228.03793	0.7
232.03622	0.4
232.99706	0.4
234.11263	11.5
234.13632	0.6
248.03194	0.5
251.13950	1.3
262.03156	0.6
290.04239	0.6
290.11429	1.2
290.18616	0.6
291.17032	9.2
291.64020	0.5
308.19711	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1857
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
53.03963	0.3
55.01867	0.6
55.05519	2.0
67.05490	1.1
69.07057	1.5
69.55279	2.1
71.04984	0.5
77.85395	0.3
79.05472	1.0
79.28283	0.3
81.07059	1.3
83.08620	1.2
91.05497	2.0
93.07026	1.0
95.08614	1.8
97.10162	0.8
98.20776	0.8
103.05468	7.6
107.08543	0.4
109.10124	0.5
115.05469	1.2
116.76801	0.3
117.07018	5.6
119.04916	0.7
121.06494	0.9
123.04427	6.7
129.06998	1.3
131.04929	21.0
131.08557	1.2
133.06467	0.5
137.05984	8.6
137.09561	0.4
143.04927	0.7
145.06487	14.7
147.04420	5.5
149.05980	67.1
151.07529	1.1
157.06450	2.8
159.08051	3.0
161.06001	4.5
163.07545	19.2
164.07088	1.7
165.05478	5.5
166.08611	2.1
167.08662	0.4
171.08075	1.3
173.05994	3.3
173.09573	0.5
175.07533	7.0
177.07841	5.0
177.09164	2.3
187.07542	1.8
189.09102	2.4
199.07556	1.2
201.09119	0.4
209.13324	0.4
213.09113	0.9
227.14310	0.4
237.12834	0.7
245.15352	0.9
246.14958	2.4
255.13799	3.1
273.14859	7.8
276.58942	0.4
290.17526	3.6
291.15912	7.6
307.66638	0.4
308.18549	100.0
309.18829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	51.1
61.76788	0.4
61.87492	0.5
71.45074	0.5
71.45403	0.7
71.95269	8.1
72.96051	4.7
74.97622	1.0
79.05521	0.4
84.96029	2.4
85.02885	0.4
88.07613	0.5
91.05491	0.5
97.96854	1.2
98.97584	1.0
103.34299	0.4
105.00169	1.3
110.97572	2.0
115.00718	1.1
119.01705	2.3
123.01202	0.8
123.63599	0.4
127.00696	1.0
128.98630	1.5
137.02748	3.5
139.00694	2.1
141.02225	3.5
145.01775	0.6
151.00659	0.9
153.02232	2.6
155.03809	2.3
157.01711	1.3
159.03308	2.6
161.01160	0.5
163.03958	1.0
165.02299	0.6
165.05818	0.6
167.03793	1.6
169.01720	1.1
169.05374	0.5
171.03317	3.4
173.04868	0.8
173.77075	0.4
175.02826	0.8
181.01794	1.2
181.05272	0.9
182.04979	0.4
183.03287	0.5
185.01219	1.5
185.04884	2.6
185.08528	0.4
189.00734	0.5
189.04323	2.3
189.69193	0.5
193.05487	0.7
195.06926	0.7
197.04778	0.5
199.02776	2.6
199.06470	1.5
203.02275	0.8
203.05882	2.1
211.06467	1.6
213.08008	0.9
217.03848	1.2
217.07500	1.5
219.06958	0.6
223.06683	0.4
223.09987	9.9
225.08012	0.8
229.07468	1.2
231.06995	0.8
237.08008	1.7
239.09483	0.9
241.11116	94.8
242.11517	0.6
243.09081	0.7
249.07953	2.4
250.05351	0.5
255.09035	1.2
259.12192	76.5
264.12753	6.4
267.09021	20.3
267.11917	0.8
277.13330	0.5
282.13705	3.6
283.25861	0.4
285.10104	100.0
286.10605	0.5
290.10580	0.5
303.11160	47.1
308.08542	0.6
308.11728	9.7
308.26865	1.6
326.09357	0.5
326.12766	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	308.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38730	1.0
50.61679	0.9
52.00692	1.2
53.03942	5.3
55.01871	6.5
55.05503	2.7
56.67951	1.4
56.96557	4.8
57.03449	7.2
58.06590	4.2
60.04529	19.6
60.45303	1.1
61.02935	8.6
68.99793	2.3
69.03432	38.6
70.06595	5.7
70.50185	2.2
70.50535	2.3
71.04987	4.5
72.07800	1.9
72.08162	24.3
72.93784	1.4
73.02919	9.2
73.06542	1.2
75.09232	2.6
79.05468	1.1
81.03425	24.2
82.92684	1.3
84.04504	2.3
84.08149	11.8
85.02908	100.0
86.09690	1.8
87.00309	1.8
87.00838	35.5
87.04468	2.5
88.04021	1.1
88.11267	4.5
89.03906	1.8
91.03932	2.1
97.02899	31.0
98.97585	10.0
99.04453	12.7
103.00520	1.3
105.01865	29.2
107.04924	2.4
109.02876	25.1
110.97560	2.9
112.11246	15.5
116.98605	2.5
117.01849	1.4
117.03368	4.9
119.01901	1.3
124.70263	1.3
127.03921	58.1
127.12289	1.2
128.98668	1.8
129.01845	2.8
129.10249	2.8
129.13866	7.7
130.06538	1.8
130.08632	2.0
134.05995	2.4
135.04411	16.2
137.05937	1.4
145.02855	13.2
145.04962	27.1
145.06163	1.5
146.16557	6.5
147.02962	4.3
155.04579	1.5
155.11777	1.3
158.99698	4.1
159.02895	14.3
162.05418	3.4
163.03911	99.5
164.05157	1.9
177.00739	2.6
180.06277	3.6
182.09669	1.3
189.04033	3.5
190.05020	3.9
213.03947	1.9
219.01810	4.4
220.09703	4.3
231.04927	10.5
234.11238	9.5
236.07158	1.5
237.02834	2.6
263.10178	2.4
291.09735	1.6
291.16995	7.5
308.04730	1.4
308.12238	14.6
308.19681	89.6
309.08578	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	307.2633
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
51.15990	1.5
53.03946	3.2
55.01871	3.0
55.05519	19.3
56.96572	1.9
57.03432	3.0
57.07081	9.0
65.03944	2.1
67.05174	2.4
67.05508	33.7
69.03416	3.1
69.07077	36.9
70.02297	8.9
71.04985	6.2
71.08623	3.3
72.08138	1.6
73.02901	1.6
79.05502	20.1
81.03405	2.5
81.07063	100.0
82.89111	1.8
83.05025	3.7
83.08631	14.7
83.13026	1.8
85.02899	8.8
85.06541	14.6
85.10154	1.8
86.03230	1.6
91.05483	16.4
91.95823	1.7
93.07047	43.6
95.04944	6.1
95.08614	81.3
97.06522	5.3
97.10176	11.9
98.21388	3.6
98.97575	4.3
99.08104	8.5
105.07040	31.4
107.08596	42.8
109.06496	4.5
109.10168	51.0
111.08064	5.6
111.11720	6.0
112.40158	1.8
113.09676	3.5
117.07008	4.2
118.06464	2.2
119.04957	2.1
119.06988	1.9
119.08595	24.6
121.09325	2.5
121.10147	36.6
123.08083	4.2
123.11723	20.6
125.09628	5.9
126.48150	1.6
127.03902	3.8
131.08569	8.2
133.10144	18.2
135.08035	4.1
135.11710	27.7
137.06024	3.3
137.09647	6.9
137.13260	8.4
139.11166	6.0
145.10155	12.4
147.11676	21.5
149.05972	2.7
149.13257	28.1
151.11150	3.7
151.14749	3.4
153.12756	2.6
159.11700	11.0
161.13257	16.5
163.11145	2.9
163.14844	15.6
165.12733	5.8
169.12326	2.0
173.13249	4.2
175.14839	12.3
176.14362	8.1
177.14677	10.4
177.16389	6.2
179.14322	4.0
179.17964	2.1
187.14841	5.3
189.16426	10.4
191.17955	3.2
193.15910	2.0
201.16379	3.6
203.17938	2.3
207.17453	4.2
215.17970	6.6
217.19313	2.1
229.19417	2.5
245.22740	2.4
249.05301	2.5
263.23700	3.5
266.11774	2.8
271.24268	22.9
277.25208	2.1
278.09015	2.0
289.17804	1.9
289.25287	48.0
292.07480	2.0
306.66406	4.1
307.06152	4.4
307.09683	8.8
307.17487	21.7
307.26321	59.1
318.29889	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.6
55.01869	14.7
55.05519	62.6
57.03431	5.5
57.88187	3.5
59.04983	4.3
60.85559	4.3
62.24140	3.9
62.52028	3.4
65.03913	4.2
66.78941	4.1
67.05511	46.9
69.03429	7.1
69.07072	19.9
71.04996	9.3
79.05495	100.0
81.03422	10.1
81.07063	51.4
83.04987	27.5
83.08623	22.5
91.05486	47.3
93.07048	61.9
95.04979	13.8
95.08626	26.0
97.06539	18.3
97.10182	44.5
105.07030	45.2
107.04965	39.6
107.08610	86.5
109.06549	9.4
109.10159	27.3
111.08076	5.3
113.88992	3.6
117.07048	15.7
119.08600	35.9
121.10153	20.3
123.08101	7.7
123.11736	9.6
125.09637	48.0
125.41438	4.4
129.06938	4.2
131.08569	20.1
133.10129	32.4
135.08066	12.5
135.11667	5.8
136.42384	4.0
137.05923	8.6
137.09634	4.7
138.06328	5.2
145.10139	19.1
147.11644	19.6
149.09631	50.2
149.13252	5.4
149.33116	4.2
153.09116	15.2
155.08508	4.6
159.11707	15.2
161.13283	8.4
169.12364	5.5
173.13332	9.3
179.14291	4.6
187.11003	4.8
203.12788	44.0
209.15390	8.2
219.17477	12.8
229.19527	10.3
247.20531	6.4
257.18982	15.6
275.20035	88.7
307.22711	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	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03940	2.6
53.63602	1.2
55.01875	9.5
55.05515	42.9
55.29744	1.5
56.96558	2.5
57.03440	37.2
57.07067	2.7
61.13853	1.1
65.03933	2.2
67.05508	37.5
69.03405	3.7
69.07072	9.5
70.12505	1.4
70.26740	2.4
70.27133	2.8
71.04991	2.2
79.05495	36.8
81.03409	4.2
81.07060	25.3
83.04988	6.2
83.08626	16.9
85.06548	1.9
91.05479	23.3
93.07043	18.7
95.04980	7.2
95.08611	6.7
97.06511	5.3
97.10175	26.8
98.97593	2.5
98.98449	2.8
105.04433	1.6
105.07030	12.4
107.04964	20.0
107.08592	23.0
109.06521	8.8
109.10164	13.2
111.08074	3.8
115.05454	2.1
117.07031	12.5
118.91552	1.5
119.04953	2.2
119.08585	14.6
121.06519	10.0
121.10117	5.6
123.04413	2.0
123.08076	2.7
123.11739	1.4
125.09635	22.9
128.06241	1.6
129.06995	5.1
129.95824	1.3
131.04927	3.0
131.08585	11.4
133.06514	2.6
133.10095	5.9
135.07114	1.9
135.08057	21.7
135.11650	1.9
137.05962	2.6
137.09604	4.6
143.08585	4.8
144.05699	1.8
145.06502	6.2
145.10135	6.9
147.08035	7.8
147.11684	2.5
149.05989	1.7
149.09618	4.0
153.09138	7.7
155.08543	3.9
157.10141	3.5
159.08061	61.8
159.11646	3.4
160.08852	2.5
161.09604	4.5
163.07568	5.6
163.11156	2.2
165.09055	1.8
169.10101	4.1
171.10214	2.8
171.11690	4.5
173.09637	4.3
173.11745	1.2
173.13271	2.7
175.11205	1.4
177.09145	5.0
179.08618	2.0
183.11694	2.5
185.09633	5.6
187.11143	2.4
187.14822	5.1
189.11201	11.1
189.12735	2.9
193.12157	2.6
197.09618	1.7
197.13246	2.5
199.11168	2.9
211.11163	1.5
215.14311	11.2
225.16351	1.4
233.15379	24.2
243.17422	5.1
253.15915	9.5
261.03174	1.9
261.18466	4.1
267.11884	1.6
271.16940	35.3
275.20078	2.7
289.17987	100.0
306.66287	2.9
307.06067	1.4
307.09348	1.9
307.19269	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	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03955	13.9
55.01871	11.2
55.05515	53.4
56.96568	10.2
57.03438	17.8
57.07072	7.6
59.05000	4.0
65.03946	2.7
65.94250	2.9
67.05167	5.2
67.05508	60.4
69.03430	4.4
69.07071	30.3
69.33456	20.1
69.33881	6.5
71.04979	9.5
73.06534	2.9
79.05501	66.4
81.03404	11.4
81.07065	98.3
83.04985	20.5
83.08632	26.6
84.87945	3.0
85.02910	4.0
85.06527	3.4
88.90446	2.8
91.04913	3.1
91.05485	69.6
93.07053	100.0
95.04987	39.9
95.08612	73.1
97.02916	4.6
97.06529	12.7
97.10162	23.2
98.97604	17.5
98.98453	5.1
99.04472	7.7
99.08128	5.5
103.05485	12.0
105.04533	6.5
105.07037	50.3
107.04965	94.3
107.08610	41.1
109.02876	5.5
109.06507	14.5
109.10164	54.6
111.08076	5.4
111.11679	3.5
115.05463	6.7
116.98644	10.2
117.07044	21.6
119.04932	3.5
119.08579	37.5
121.02872	23.4
121.06516	90.6
121.10150	28.2
123.08067	13.3
123.11704	11.2
125.09629	16.8
127.11166	4.1
128.06165	4.5
129.07010	13.7
131.00195	4.3
131.04909	7.4
131.08578	25.3
132.66768	3.1
133.06511	18.7
133.10153	17.1
135.08080	24.2
135.11720	15.1
137.06001	4.8
137.09612	13.1
137.13249	4.6
139.07558	3.5
141.06978	3.9
143.08543	9.4
143.10684	4.7
145.06494	7.2
145.10161	18.2
147.08083	9.6
147.11682	14.4
149.06018	6.6
149.09618	13.0
149.13264	11.3
150.12794	6.5
151.07559	19.9
151.11191	5.4
151.13072	5.4
151.14862	6.0
153.09109	6.1
157.10147	6.9
158.99683	5.8
159.08086	10.5
159.11716	9.7
161.09619	9.8
161.13258	5.8
163.07559	27.5
163.11185	5.4
163.14815	3.8
165.09171	3.2
167.10692	3.2
169.10233	4.7
171.11678	9.8
173.09599	9.8
173.13260	7.9
175.14842	4.6
177.00734	5.0
177.09090	8.0
181.08669	3.2
187.11208	4.2
187.14667	4.1
189.11229	6.8
189.12822	5.2
191.10719	5.4
192.17516	6.2
193.17856	11.0
197.13268	3.1
199.11235	7.1
203.17982	4.3
205.19424	4.1
215.14389	3.5
217.12335	4.2
219.01820	6.1
219.08049	3.1
219.13788	7.3
233.15399	19.6
235.10939	3.8
235.13319	12.8
243.17403	8.6
244.99786	3.5
252.35300	3.1
261.18591	11.2
263.25665	19.6
266.11676	6.0
267.12183	5.4
271.16956	17.2
271.24326	6.2
275.20035	13.6
282.14923	4.5
289.17993	87.0
289.25082	7.8
306.66428	6.4
307.09570	4.4
307.16171	4.7
307.19101	33.8
307.28711	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	2.6
58.06599	4.6
68.64716	0.4
69.03413	0.5
69.07082	0.5
70.06641	0.5
70.11573	1.7
72.08176	0.6
73.38068	0.4
84.04507	22.6
84.08143	100.0
86.06063	7.8
86.09711	6.0
88.03986	1.5
96.04503	0.9
118.06943	0.6
118.30545	0.4
130.06509	1.0
130.08646	1.3
140.03429	0.6
141.13853	6.6
144.10239	0.5
150.54787	0.4
157.07660	0.8
158.05975	0.9
163.03954	1.3
169.13351	10.7
187.07953	0.4
198.11314	1.6
201.12228	0.6
215.13910	41.1
243.17052	58.1
261.08588	0.7
261.16360	0.8
262.11069	3.3
289.15472	0.4
307.16864	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	307.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.7
55.01862	17.4
55.05503	12.1
56.96565	20.8
57.03428	6.5
58.06595	11.5
58.99564	6.2
59.04989	5.2
61.02937	7.1
67.05487	7.8
69.03419	17.5
69.07059	8.4
70.06599	23.6
71.05008	5.6
71.55109	4.1
72.04514	6.4
72.08150	17.1
73.02915	10.9
73.06545	7.2
74.00688	4.3
76.02222	13.1
79.05491	15.6
81.03437	6.8
81.07063	14.3
83.08604	11.7
84.04485	11.0
84.08155	36.0
85.02908	40.0
85.06550	45.5
86.09695	7.4
88.02204	5.8
90.05542	14.6
91.05463	9.6
94.06551	4.6
95.04970	6.0
95.08585	4.9
97.02901	9.7
97.06541	75.2
98.97572	19.7
98.98481	4.9
101.10768	5.0
102.05524	5.8
103.03301	6.9
103.03953	100.0
104.01690	7.1
107.04953	15.7
109.02879	4.9
109.06511	9.3
110.07136	3.8
115.03843	3.8
116.01670	13.3
116.98639	7.5
118.06536	3.6
119.01933	4.1
122.07137	10.7
123.04458	4.6
124.07542	4.5
127.03903	11.1
127.05029	8.3
127.07539	30.6
128.05383	4.6
128.98598	7.1
129.07021	8.5
130.06531	58.3
130.07414	4.9
132.04442	10.8
133.01752	5.5
135.04482	4.7
137.05974	9.2
144.04752	5.1
145.02841	7.9
145.08617	96.1
145.10483	8.1
146.06047	7.3
154.07030	5.4
155.01031	5.4
155.08505	4.7
156.01089	19.5
156.08916	10.0
157.07617	50.9
158.02739	31.0
158.06009	50.0
158.09370	7.0
163.03882	38.9
163.07622	4.5
166.07368	5.3
168.07715	5.2
169.08510	4.6
175.05354	6.2
175.08665	26.7
176.03757	14.3
182.99614	5.5
183.10016	6.5
187.09453	5.7
191.04842	7.9
193.06448	46.7
200.10606	12.4
201.00702	6.7
201.11052	17.7
203.08170	8.1
211.09406	6.0
212.07991	6.6
219.01776	9.8
221.10779	8.3
223.12329	12.6
229.10410	5.6
233.12939	6.3
234.11337	4.8
237.03044	5.3
243.16974	10.0
245.09390	8.5
245.12720	5.1
257.09900	7.9
261.08670	23.4
261.12457	9.1
263.13962	7.1
268.63272	5.3
271.11017	16.6
275.11044	35.8
279.18924	5.0
289.08249	13.8
289.11890	17.0
289.15085	7.1
307.13461	85.1
307.17206	20.5
307.22260	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05457	0.3
53.03949	0.9
55.05523	1.0
62.74015	0.3
66.35548	0.4
67.05501	1.9
67.06281	0.4
67.87182	0.4
69.03423	0.9
69.07067	1.3
70.95826	0.7
70.96169	0.6
77.03912	0.7
79.05492	1.9
81.07069	4.8
83.08620	0.6
85.02907	1.0
85.06554	0.5
85.08427	0.4
88.30245	0.4
91.05470	2.9
93.07032	2.9
95.04981	0.8
95.08611	3.0
96.08109	0.5
97.06551	0.6
98.97627	0.5
103.03931	0.5
105.07020	1.9
107.08603	1.3
108.08140	0.7
109.10203	1.9
117.07072	0.4
119.04916	0.5
119.08562	1.1
121.10140	1.1
122.06025	2.0
123.06807	1.3
124.07600	7.9
125.68511	0.4
126.05522	0.6
126.09162	4.4
133.10147	1.0
135.11726	0.9
136.07585	53.8
137.06026	0.8
137.07906	1.0
138.09145	52.2
140.07082	1.3
145.02707	0.5
145.10060	0.4
147.09175	0.8
147.11641	0.8
149.05983	0.9
149.13266	1.0
152.07074	14.6
157.10089	0.4
159.11751	0.4
163.14963	0.6
164.07077	100.0
165.07387	0.6
170.08144	4.1
175.15022	0.6
182.08142	20.9
184.09723	0.4
189.01830	2.7
191.08206	2.6
193.06531	0.4
207.02872	1.1
226.08476	0.4
263.13998	0.4
266.11652	0.5
267.12149	0.9
271.19086	0.8
271.24326	0.5
289.15488	5.2
289.25272	1.3
292.07364	1.2
306.63889	0.9
306.66635	0.7
307.06158	6.6
307.09683	1.5
307.12915	4.7
307.16592	3.4
307.26401	1.3
308.06714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87067	2.2
57.76570	2.3
62.91587	2.0
68.81432	2.0
70.14776	8.9
75.50353	2.3
86.40257	2.1
88.02219	2.0
94.92999	2.9
101.00856	3.8
102.20063	1.9
116.65562	2.1
119.01943	2.5
134.25911	2.4
144.21921	2.1
202.89110	9.3
247.03011	3.1
264.36795	2.0
307.07898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69696	2.1
54.37822	2.1
56.96569	21.2
58.14498	2.7
64.39947	2.2
65.74386	2.5
71.10287	5.7
80.93341	2.5
84.96008	4.0
85.02869	3.1
88.99119	2.4
98.97591	62.2
100.99126	3.8
101.00903	13.5
110.97587	21.8
115.02451	5.2
116.98647	15.2
119.01904	16.2
124.99177	3.0
126.19454	2.4
128.98621	11.7
131.01933	2.7
133.03462	6.6
137.05923	2.4
140.98608	4.0
143.00151	6.4
143.01945	5.8
146.99678	5.7
152.98642	7.5
153.27164	2.5
158.99702	7.6
161.01285	2.7
161.02971	11.1
168.99960	3.2
170.95993	2.7
170.99663	5.8
173.03114	2.8
187.00850	4.0
189.00740	4.0
190.05281	3.5
201.00813	2.8
215.00394	7.6
219.01738	22.8
219.03622	2.6
221.05113	2.6
232.99635	3.4
237.02896	16.1
247.02913	12.4
247.05067	5.4
251.00809	4.1
263.00812	4.8
265.05936	40.3
283.07004	8.9
307.07675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50529	0.2
61.99743	0.3
67.05516	0.4
67.92266	0.3
69.03509	0.2
69.07076	1.0
70.94762	0.6
79.05497	0.5
81.07059	0.6
84.03215	0.2
91.05479	0.7
94.04202	1.7
97.06551	0.4
107.04927	0.5
107.08599	0.3
109.10166	0.5
114.09163	0.5
122.03659	5.5
126.09171	0.5
133.10094	1.1
135.11707	1.0
137.05986	100.0
140.12512	0.2
151.11150	0.4
153.12753	1.1
166.55855	0.3
170.15434	2.2
182.15401	3.2
275.45831	0.3
306.20770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	3.2
56.96544	2.1
57.03434	2.9
61.02931	5.1
68.05028	1.9
69.03419	3.6
70.49084	1.6
70.99850	2.5
71.53944	2.7
82.99857	5.6
83.18439	1.9
84.04501	5.0
84.08137	2.2
85.01441	1.9
85.02905	4.7
88.80425	1.5
97.01390	3.3
97.02901	4.5
98.25489	1.5
101.00889	60.0
103.02457	3.4
104.10754	2.3
113.00880	9.7
114.05537	6.8
115.02451	19.9
117.04030	2.9
119.01929	100.0
127.02464	4.0
127.03926	3.9
128.52766	1.6
129.03993	5.8
131.01900	21.2
133.03468	20.2
135.05109	1.9
137.02959	14.4
139.02435	2.2
143.01907	12.2
143.03545	1.8
144.99846	4.3
145.03467	15.2
147.05060	6.9
149.02948	4.3
155.01950	2.7
157.03488	15.7
159.01378	3.1
159.05078	2.3
160.04321	3.0
161.02965	19.6
163.04539	1.9
168.06520	3.3
168.99850	17.0
171.01413	5.2
173.03014	13.4
175.04523	7.3
175.11855	2.4
177.02481	12.4
179.02295	1.8
185.03004	6.2
186.07646	6.4
187.00899	36.2
187.04497	2.5
189.02420	4.0
191.04013	8.3
193.05571	3.4
196.99335	10.8
197.03084	1.8
199.00938	3.4
201.02446	5.7
201.06062	4.5
202.89149	7.5
203.04008	5.6
205.01990	12.6
215.00391	42.4
217.01993	5.2
218.04906	3.2
219.03529	18.3
229.01942	25.4
233.01454	4.6
235.02950	1.7
235.06624	2.1
239.06134	2.1
243.07916	3.6
244.06287	1.8
245.05022	5.1
247.03018	92.8
261.04822	2.3
265.04120	11.7
289.04031	19.2
289.08621	2.7
307.04941	13.8
307.08087	20.7
307.10333	6.3
307.16046	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	100.0
58.07441	0.7
59.42954	0.5
59.99117	11.0
61.78680	0.6
71.08648	1.8
71.56720	0.5
71.57167	1.0
72.08976	0.6
83.94019	0.5
85.07682	2.2
85.10188	1.2
86.06070	18.6
86.10489	0.5
89.06013	0.8
102.03756	3.1
102.99669	1.2
106.06563	66.6
114.51903	0.6
116.05323	46.1
120.73729	0.5
122.03651	0.7
123.84194	0.5
137.05995	10.0
141.13887	0.7
145.04306	10.8
192.60799	0.5
201.10580	77.2
208.05441	4.6
250.10196	3.8
266.11911	1.1
306.16391	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	306.1701
Annotation	Convolamine
Peak:m/z	Relative Intensity
50.32530	0.3
52.84593	0.3
56.96104	0.4
57.03430	2.0
61.83533	0.3
71.01337	1.4
81.07078	0.4
85.02908	34.4
91.05482	0.6
98.20780	0.9
98.97589	0.6
103.03949	0.5
105.01963	0.4
113.02355	1.9
118.06547	12.4
119.07344	0.6
120.08079	0.5
131.03394	1.7
132.08089	4.4
133.08891	1.8
134.09628	0.9
137.05977	0.6
146.09648	4.3
147.10422	0.7
160.11255	0.4
165.09114	0.5
176.14355	76.8
177.14676	0.5
178.82170	0.4
202.15852	1.0
210.42192	0.3
213.73892	0.4
217.21964	0.3
246.14781	0.6
262.10803	0.4
266.11771	1.0
282.14886	0.4
288.15906	1.3
306.17007	100.0
307.17340	0.8
307.79575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85211	0.7
66.43163	0.9
70.06593	1.2
70.70952	2.4
80.05013	1.0
86.87270	0.8
88.11263	1.4
91.05492	1.7
96.04527	1.1
97.80067	0.8
104.04980	0.7
115.05453	2.5
117.05780	1.7
117.07048	1.3
118.06564	1.0
128.06224	2.2
129.07013	9.0
130.06567	7.4
132.08109	1.5
141.07022	2.9
142.06604	1.0
142.07787	0.9
143.07315	6.0
143.08531	2.0
144.08099	9.1
152.06201	0.9
153.07002	2.6
154.06491	3.2
154.07770	0.9
155.07388	1.5
155.08565	9.7
156.08089	10.5
157.08940	4.5
158.09671	34.6
165.06998	2.4
167.07320	10.5
167.08557	1.0
168.08096	6.8
169.06505	1.2
169.08867	3.4
170.05946	1.7
170.09637	5.7
171.08096	1.5
171.10466	2.7
172.07571	2.5
172.11201	5.1
173.05984	1.4
180.08020	1.7
181.06512	1.3
181.08844	2.7
182.09676	25.4
183.08127	2.2
183.10490	2.4
184.07600	13.3
184.11269	3.0
185.08388	16.3
185.10014	1.3
186.09149	16.4
192.08080	3.0
194.09702	2.0
196.07596	3.0
197.08392	2.2
198.09148	8.0
199.09924	18.9
200.10719	80.8
210.09155	18.8
211.09959	3.6
212.10710	8.5
214.08638	15.1
227.09399	9.3
228.10199	20.7
230.11786	1.4
238.08723	3.9
238.12408	1.1
256.09729	13.5
274.10760	100.0
280.03149	0.8
306.13379	64.1
306.16571	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	305.2477
Annotation	Vitetrifolin G
Peak:m/z	Relative Intensity
53.03939	3.5
55.01855	2.5
55.05513	33.2
55.40208	2.5
56.96553	8.0
57.03431	5.4
57.07067	10.8
59.04999	9.8
67.05506	31.6
69.03435	10.0
69.07072	34.5
69.23065	26.4
71.05005	25.3
71.08641	4.3
73.06532	2.9
79.05504	30.0
81.03386	2.9
81.07065	100.0
82.25516	2.7
83.04987	12.3
83.08630	17.7
83.75336	2.9
85.02911	23.4
85.06550	9.8
86.09724	5.3
87.04448	3.1
91.05489	26.8
93.07050	80.6
95.04978	10.3
95.08612	71.9
97.02907	3.9
97.06535	14.3
97.10172	9.1
98.97593	58.9
99.08105	18.2
103.05458	5.0
105.07045	62.0
107.08601	97.9
107.15883	2.7
109.02917	4.2
109.06550	10.0
109.10161	45.8
110.97617	3.7
111.04469	6.1
111.08112	9.1
111.11741	3.7
112.99142	13.0
113.06021	2.6
113.09665	6.8
116.98662	16.9
117.07049	12.6
119.08591	66.1
121.06551	3.6
121.10160	57.1
123.08080	6.0
123.11707	15.8
125.09672	21.4
127.07554	7.0
127.11192	13.8
129.05522	4.0
129.07062	2.8
130.07802	2.9
131.00169	9.2
131.08597	24.9
133.10147	44.0
134.99635	3.1
135.08014	3.8
135.11711	35.3
137.06007	8.5
137.09631	4.8
137.13261	8.8
139.11171	8.5
142.07770	4.4
143.08606	7.6
143.10704	23.4
144.09352	3.6
145.10124	48.5
147.11697	61.3
147.12811	5.4
149.09618	4.5
149.13266	62.3
151.11203	7.8
155.10721	3.4
157.04958	5.5
157.10123	16.1
158.99670	17.4
159.11699	39.2
161.13274	20.4
163.11159	6.3
163.14790	18.6
167.10582	3.0
171.11714	9.4
173.01253	19.1
173.13272	18.7
175.14857	10.7
177.00710	16.7
177.12793	6.5
177.16447	10.3
183.02933	2.9
184.97632	3.2
185.13249	9.7
187.02385	2.7
187.14836	9.7
189.16408	11.3
191.02249	16.7
191.14381	4.3
191.17943	3.3
193.15967	4.2
199.14885	13.4
201.00706	6.7
201.03976	2.9
201.16393	81.7
202.98697	6.8
203.17993	12.8
205.15779	4.1
213.16414	16.2
215.17995	16.0
217.15909	8.9
217.19646	4.1
219.01799	9.2
219.17467	17.8
223.16937	4.5
227.17931	4.4
229.19476	5.5
231.17413	4.6
234.06726	3.7
235.16975	11.2
244.99722	10.0
259.24228	6.6
266.11722	5.1
269.22696	22.9
287.13614	3.4
287.23746	57.6
305.08334	9.4
305.15753	4.1
305.24753	72.7
312.62808	3.2
322.81317	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	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03937	2.9
55.01860	1.6
55.05514	24.7
56.96565	8.4
57.03421	3.0
57.07085	9.2
57.22502	1.4
57.82903	1.7
59.04983	4.7
65.03932	2.4
67.05505	28.0
69.03438	8.2
69.06720	2.4
69.07072	33.6
69.50781	2.8
69.51187	8.3
71.04994	20.1
71.08623	1.7
73.06558	3.1
77.03967	1.6
79.05060	2.8
79.05492	37.9
81.07059	100.0
83.04974	6.3
83.08620	11.8
84.96042	2.4
85.02905	6.7
85.06531	4.5
91.05489	26.4
91.06026	3.0
93.07047	72.7
95.04970	8.5
95.08609	65.4
97.06535	10.9
97.10172	8.8
98.97588	46.3
99.04451	1.7
99.08109	8.2
105.07032	50.9
107.04956	2.1
107.08596	86.7
109.06516	7.2
109.10159	46.3
110.97585	3.6
111.04429	2.1
111.08097	5.7
111.11720	3.1
112.99129	5.9
113.05988	1.8
113.09644	2.3
114.54585	1.6
115.05473	1.9
116.98611	16.8
117.07011	6.8
119.08581	51.7
121.06516	4.3
121.10143	55.0
123.08065	5.6
123.11714	20.9
124.95471	2.9
125.09619	10.9
126.97006	2.0
127.07568	3.1
127.11211	15.0
128.98601	3.5
129.07059	4.1
130.07791	1.7
131.00142	8.0
131.08565	18.5
132.04692	1.6
133.10135	31.6
134.99709	2.6
135.08095	2.8
135.11700	55.0
137.05960	6.0
137.09615	8.3
137.13242	6.1
138.06334	4.2
139.11162	4.8
143.08545	6.0
143.10683	6.7
145.10120	34.7
147.11697	44.1
149.09630	4.8
149.12067	2.0
149.13261	40.8
150.66495	1.7
151.11179	6.3
151.14795	1.9
153.12761	7.8
155.10716	5.4
157.10120	12.0
158.99680	12.4
159.11679	29.2
161.13277	17.8
162.99164	1.7
163.11160	5.0
163.14810	15.9
165.12755	4.4
171.11719	8.1
172.83258	1.6
173.01205	14.8
173.13252	15.5
175.11160	2.2
175.14812	10.5
177.00682	10.8
177.12767	4.5
177.16425	7.3
178.98343	1.5
179.14424	1.7
184.97549	2.9
185.13280	9.1
187.14792	7.4
189.12700	2.0
189.16400	8.4
191.02290	8.3
191.14389	3.2
191.17981	3.6
193.15863	3.6
195.17389	2.1
199.14824	10.5
201.00755	3.5
201.16383	48.7
202.98730	4.5
203.17996	10.8
205.15804	3.6
207.17438	2.2
209.15355	1.9
213.16380	12.6
215.17912	11.4
217.15857	2.4
217.19579	2.7
219.01707	2.6
219.17419	11.5
223.16859	3.5
224.13567	2.5
227.18019	2.9
229.19553	4.4
231.17386	3.5
234.06720	2.3
235.16917	9.8
237.02824	1.6
244.99733	4.4
253.12817	2.9
259.24207	4.8
269.22583	19.9
277.25220	3.8
282.14621	1.7
287.23712	35.5
305.08270	5.9
305.15759	6.2
305.24768	66.8
306.16251	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	305.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01863	2.8
55.05272	1.2
55.05518	19.2
56.05022	3.5
56.91852	0.9
56.96582	1.5
57.03426	1.1
57.06829	1.5
57.07082	21.4
59.04989	1.3
67.05515	5.2
69.03440	1.9
69.07072	7.2
69.48322	2.2
69.48723	4.4
70.02944	1.7
71.04983	4.1
72.04523	2.1
73.02914	2.3
79.05498	4.7
80.88937	0.9
81.07059	9.7
83.04979	2.6
83.08613	1.3
84.04507	2.9
84.08150	1.2
85.01134	5.1
85.02911	7.6
86.00655	1.0
87.02680	3.1
87.08115	100.0
90.05547	5.3
91.05484	4.8
93.07060	9.3
95.04955	2.0
95.08617	6.3
97.02883	1.1
97.06528	1.7
98.02421	2.1
98.06057	2.9
98.09692	7.3
98.97591	16.4
99.08045	1.0
102.03165	1.2
102.03777	10.9
105.07020	5.6
107.08611	15.1
109.06528	1.8
109.10170	4.6
111.04489	1.5
111.08073	1.2
111.11657	0.9
112.99133	2.5
113.04203	3.3
116.01709	2.3
116.07104	13.9
116.98650	6.8
119.08585	5.5
120.08083	1.0
121.06512	1.3
121.10149	5.1
123.08099	1.2
123.11689	2.2
125.09634	2.2
126.05531	9.7
126.09178	1.7
127.03925	1.2
127.11160	2.7
130.06824	2.8
131.00200	2.4
133.10141	3.9
135.08084	2.6
135.11684	5.7
136.07646	1.4
137.02339	1.5
137.05960	3.8
137.09665	1.2
138.06331	1.3
141.04083	1.2
143.08560	1.4
143.10675	1.9
144.06543	2.1
144.10201	4.2
145.10127	2.3
147.11676	3.7
148.11279	1.0
149.01204	1.2
149.09624	1.5
149.13289	4.9
150.09160	1.0
151.11261	1.0
155.10629	1.3
156.08435	4.8
157.10117	1.2
158.02707	4.4
158.99687	5.0
159.11728	2.5
161.13258	1.3
163.11212	1.7
163.14786	0.9
164.07086	1.0
170.11830	5.2
171.11621	1.5
173.01207	3.5
173.13304	1.3
177.00711	3.5
178.07918	1.2
184.97606	1.3
189.79266	1.0
190.12283	2.2
191.02301	2.9
201.06999	1.2
201.16380	2.9
202.05365	4.7
202.98613	1.3
203.04941	1.5
215.17967	2.1
218.11714	1.4
219.01895	1.5
219.08017	32.6
230.08513	10.8
234.06815	1.9
244.99745	1.6
245.12898	1.0
256.09940	1.3
262.06165	1.9
266.11765	1.0
269.06714	1.1
269.22775	1.2
273.12701	92.6
277.08600	1.9
287.10391	1.0
287.13916	1.3
287.23740	3.8
288.13333	3.9
289.12045	8.4
289.62085	1.6
290.05707	2.2
293.10709	1.2
305.08209	7.7
305.11551	1.6
305.15405	32.7
305.19128	1.8
305.24722	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	305.1497
Annotation	NSC 177499
Peak:m/z	Relative Intensity
50.53412	0.5
55.01867	0.8
55.05526	0.5
56.05029	0.6
56.96553	0.8
57.03433	0.5
58.06590	0.8
60.08159	2.2
60.77402	0.4
63.32003	0.4
65.03951	0.8
67.05506	2.6
69.03403	1.1
69.07058	0.5
70.06608	3.1
71.24321	0.6
71.24653	1.0
72.08154	1.1
73.02905	0.4
79.05490	1.4
81.03434	0.8
81.07056	1.4
82.06580	0.7
83.04981	0.5
84.04494	1.3
84.08140	1.4
85.02885	1.7
85.06585	0.4
86.09702	1.9
91.05483	2.1
93.05785	0.7
93.07018	0.9
94.06567	4.0
95.04970	1.0
96.08131	1.0
97.02909	0.6
97.06565	0.6
98.97598	2.4
103.05453	0.8
105.07054	0.5
106.06532	0.7
107.07273	0.6
107.08598	0.6
108.08118	14.9
110.06039	5.7
110.97565	0.5
116.98631	1.0
118.06537	3.9
119.04948	1.3
119.07340	4.8
120.08112	7.7
121.05235	0.4
121.06546	0.7
122.06016	4.4
123.06806	1.8
124.07590	9.3
125.09666	1.1
128.98634	0.5
130.06488	0.8
131.49211	0.4
132.08109	1.1
133.07628	0.8
134.05989	0.9
135.06859	0.5
136.07582	90.9
137.05949	2.4
138.09158	1.2
141.07870	0.6
142.08641	9.7
143.07019	0.5
143.10652	1.0
145.07637	0.7
146.06013	6.4
146.08409	1.4
146.09641	0.5
147.06786	1.5
147.09157	0.5
148.07596	6.1
149.05910	0.6
150.05534	0.5
152.07054	1.0
154.08672	3.5
156.08084	1.3
157.08867	0.5
158.06001	0.7
159.09209	0.6
160.07597	1.7
161.07111	1.8
162.39339	0.5
164.07074	35.5
166.08687	0.8
169.04955	0.5
170.08322	0.8
172.94414	0.5
173.10764	4.7
174.07910	1.3
179.08612	0.6
181.08897	2.6
182.06023	1.8
183.09174	1.5
184.07678	0.9
184.09825	0.9
185.10738	1.5
195.09181	1.3
196.11296	2.7
197.10719	2.1
198.07800	1.0
198.11456	3.2
199.08583	1.2
201.10201	5.3
202.08742	0.7
202.98621	0.5
208.10188	0.5
210.09227	0.7
211.08714	1.8
211.12364	1.2
212.09225	2.8
212.12875	0.5
213.10266	6.3
213.13853	3.7
215.11758	0.6
219.16708	0.5
223.12430	2.2
224.10774	3.2
225.10254	5.2
226.11012	9.0
227.11838	0.9
228.06659	1.1
232.96440	0.7
239.07985	1.1
239.11855	1.6
240.08945	1.0
240.12637	2.4
241.09821	6.2
241.13365	22.8
242.11755	0.7
243.11160	0.6
246.07692	3.1
251.11839	1.3
253.09731	0.9
254.10548	3.8
258.13672	0.9
259.05972	0.6
259.14432	25.0
269.12848	39.7
277.15491	2.1
287.10599	0.9
287.11444	0.7
287.13901	36.6
305.14966	100.0
306.15585	0.6
316.11551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
55.05519	9.3
56.05029	2.0
57.03445	20.1
59.05008	1.8
61.02920	4.4
67.05495	8.3
69.03434	10.9
69.07075	3.0
71.01363	12.2
71.05002	17.8
73.02934	9.7
74.06084	2.2
74.09749	1.6
75.04467	8.1
78.83148	1.7
79.05455	3.7
81.03411	5.1
81.07040	7.7
83.01324	2.1
83.04985	30.7
83.08628	2.7
85.02910	100.0
87.04466	6.0
88.07623	4.2
91.05489	4.3
93.07040	3.7
95.01306	5.2
95.04964	11.5
95.08618	3.5
97.02897	9.7
97.06548	4.4
97.10142	3.8
98.20728	6.2
99.04430	2.2
101.02355	3.0
101.06004	3.9
103.03951	4.3
103.60407	2.1
105.07021	4.8
108.18095	1.7
109.02840	4.3
109.06529	1.9
111.04440	20.3
112.16601	1.6
113.02345	5.4
113.05997	7.7
115.05454	1.9
117.07005	2.1
121.02856	2.0
123.04497	2.4
125.02341	5.2
125.06016	3.0
125.09549	1.8
126.43504	1.9
127.03910	4.2
129.01851	1.8
129.05487	18.5
131.03404	2.5
137.02296	2.3
137.06032	4.6
138.06348	2.4
141.01791	5.4
143.06982	3.7
147.06497	8.9
153.05431	3.3
157.01363	3.6
157.04971	12.6
159.02890	5.8
165.01843	3.5
173.08145	2.7
177.05441	2.4
181.04994	1.9
183.02887	6.8
187.02382	6.0
195.06570	3.1
201.03978	12.9
213.03984	2.4
213.07587	3.5
229.92892	2.0
241.07091	6.1
256.26404	2.8
259.08099	5.6
269.06552	5.7
287.07501	5.5
304.28351	9.7
305.08636	11.5
305.15231	3.4
305.21094	4.8
305.28668	6.9
315.66605	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	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
51.13449	0.3
53.03944	0.7
57.05010	0.3
59.39351	0.3
65.03948	0.3
67.05500	0.9
70.73322	0.6
70.73674	0.4
74.43079	0.3
77.03942	0.4
79.05500	0.8
80.05038	0.3
81.07059	1.3
91.05482	3.0
92.81824	0.3
93.05807	0.6
93.07054	3.0
94.06588	0.5
95.04974	0.8
96.08144	0.5
97.06538	0.4
98.97585	0.5
103.40806	0.3
105.04536	0.4
108.04482	0.5
108.08135	2.2
122.06037	3.9
124.07609	8.6
126.05553	0.9
136.07590	100.0
136.84148	0.3
138.09079	0.4
140.07080	0.8
150.05505	0.6
150.66188	0.3
152.06070	0.2
152.07079	17.6
164.07082	81.4
166.08685	0.7
170.08134	5.0
182.08145	18.8
184.09698	0.4
188.25060	0.3
200.16176	0.3
201.77187	0.3
287.13882	6.1
305.08124	0.8
305.15036	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1549
Annotation	Carinatine
Peak:m/z	Relative Intensity
55.01861	0.9
55.03150	0.5
56.05020	2.3
56.96561	2.4
57.03425	2.4
58.06593	2.1
60.99450	0.6
61.02638	0.6
61.02926	6.8
64.58066	0.5
68.05013	0.7
69.03422	2.7
70.03757	1.0
70.06586	5.5
70.07176	0.5
70.98110	1.2
71.04988	1.2
72.08141	2.4
73.02899	1.6
74.06075	0.5
79.05485	0.7
81.03422	2.0
81.07041	0.9
84.04505	1.1
84.08181	1.2
85.02910	6.9
85.07687	1.2
86.03249	0.8
86.06065	4.6
86.09701	1.5
89.00827	0.5
91.05496	1.1
91.85992	0.5
95.04935	0.5
97.02894	3.0
98.03252	0.7
98.97591	6.8
99.04459	0.5
100.03991	1.7
101.00874	4.1
102.05548	2.7
109.02868	1.5
110.97559	0.9
113.00879	1.0
113.30785	0.6
114.05533	11.9
116.07076	0.7
116.98637	1.8
117.05758	0.7
118.06510	0.6
119.01920	6.4
124.07613	1.7
127.03925	2.4
128.02306	0.9
128.98604	0.6
129.10260	0.8
130.06538	1.3
131.01917	1.2
132.00797	0.6
133.03488	1.2
137.02933	0.9
137.05972	2.7
139.02415	0.8
140.07095	1.8
141.01193	1.6
141.07404	0.9
141.10236	3.6
142.08630	2.6
143.01909	4.6
143.11819	1.4
144.02016	0.6
145.03473	1.9
145.04997	0.8
145.09738	0.7
146.99675	0.6
154.02901	0.8
154.06581	0.8
155.08546	0.7
156.08138	2.0
157.03464	4.1
157.09827	1.3
158.09662	2.4
158.99689	0.8
159.01404	1.2
160.04633	0.6
161.02937	5.0
164.07117	1.7
165.07281	0.9
167.07301	1.2
167.08583	0.7
168.08186	1.4
168.11302	0.8
169.08844	1.1
169.10130	0.7
170.09698	1.2
170.96042	0.8
171.11389	0.9
173.02991	1.1
174.99236	0.6
175.03381	1.3
175.04688	1.2
177.00729	0.6
179.08577	2.6
180.08122	1.6
181.06502	0.7
182.09676	5.9
183.10402	3.2
183.52576	0.7
184.04424	0.9
184.07526	0.9
184.11234	1.8
184.97601	1.1
185.02899	3.3
185.09245	24.7
186.07632	0.9
186.09203	1.8
187.04562	0.8
187.07536	1.3
188.97079	1.1
189.00711	0.8
191.03932	0.8
191.54015	0.6
192.08118	0.8
193.00159	0.7
193.08922	3.5
194.09654	0.9
196.11092	1.8
197.09712	0.9
197.12012	1.6
198.09177	1.8
198.12805	3.4
200.10760	2.3
201.07767	1.2
202.08716	0.8
202.98695	0.9
203.04007	3.1
203.10352	0.8
204.02899	0.8
204.53059	2.0
205.04584	3.9
206.09718	0.8
207.08096	2.2
208.11221	9.6
210.09167	1.7
211.09914	2.7
213.03430	1.1
213.09122	0.8
213.53584	2.8
214.03354	0.6
214.05278	2.5
214.08656	1.5
214.12041	1.2
215.07303	0.6
215.09123	0.6
215.10764	0.6
216.10210	9.6
217.00189	0.6
219.03638	0.7
221.05142	2.2
221.08356	0.9
223.04332	0.8
224.10710	2.3
225.09125	1.4
225.11482	2.9
226.08829	1.2
226.12273	23.2
227.09357	0.6
228.10248	2.1
230.98102	0.8
236.10704	4.9
239.06328	0.8
239.10751	0.9
240.10100	0.8
242.11798	1.9
243.12549	1.0
244.13405	0.9
245.05170	0.9
247.02957	0.5
253.10889	0.8
254.11778	18.3
255.12491	1.3
258.14645	1.3
263.00827	0.8
263.06195	6.8
268.13202	2.0
270.11209	1.2
271.12039	1.1
272.12820	30.1
281.02435	0.7
281.07205	21.3
286.14291	48.3
287.14609	0.6
291.09119	0.7
304.08463	3.2
304.15460	100.0
305.15378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1545
Annotation	Carinatine
Peak:m/z	Relative Intensity
56.16522	0.3
68.04550	0.3
68.43293	0.3
70.79859	0.6
86.09731	0.3
94.08835	0.3
95.04976	0.4
101.27588	0.4
114.21454	0.4
119.04943	0.3
137.05957	0.4
139.15222	0.3
151.07524	0.8
155.08472	0.4
162.40514	0.3
179.08604	1.2
181.06505	0.6
182.09857	0.4
183.08167	0.5
187.07584	0.5
189.09239	0.4
191.08487	0.4
195.08125	0.4
200.10876	0.4
201.09224	0.8
204.10144	0.6
207.08040	0.6
208.11253	0.7
211.07561	0.3
213.09358	0.6
215.09338	0.6
216.10205	16.8
217.11018	0.6
219.08031	0.5
219.27351	0.3
225.09155	0.8
226.12273	0.6
228.10211	3.1
229.10962	0.7
230.11656	0.4
236.10783	1.1
237.11394	0.4
238.08588	0.3
239.10843	0.7
242.11839	1.9
243.12531	1.2
253.11038	0.9
254.11765	0.5
257.11758	0.7
268.13315	3.2
270.11255	2.8
271.11996	1.7
286.14389	41.8
297.97260	0.3
304.15442	100.0
305.15765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.5
55.05513	9.2
56.96558	5.1
57.03442	8.3
57.07076	2.9
59.04961	1.6
67.01856	4.1
67.05507	25.2
68.99793	3.5
69.03423	4.1
69.07076	14.6
70.79985	2.9
70.80339	2.0
71.05019	3.6
78.61326	1.4
79.05492	13.0
81.03426	4.7
81.07061	61.0
83.04996	6.3
83.08620	7.5
85.02921	3.2
85.06561	3.2
89.03934	5.3
91.05492	20.5
93.03430	1.9
93.07050	15.9
95.04985	5.4
95.08616	22.3
97.02927	1.6
97.06528	7.9
97.10165	2.0
98.96993	2.4
98.97576	13.1
99.08083	2.9
101.06030	1.8
103.05459	1.5
105.07034	28.4
107.08589	13.4
109.06546	4.1
109.10161	5.7
113.06020	1.6
116.98646	4.4
117.03386	14.5
117.07038	2.8
119.04922	2.3
119.08595	23.4
121.06564	1.6
121.10150	20.1
122.03651	3.3
123.04412	3.6
123.08092	6.7
123.11712	22.8
125.06024	4.0
125.09673	1.6
127.07555	2.2
129.07057	2.7
131.00140	1.6
131.08589	4.3
133.10149	4.2
134.99686	1.9
135.11728	3.1
137.05989	47.1
145.02850	32.5
145.09155	1.8
145.10095	7.6
146.75374	1.5
147.11694	50.0
149.06030	6.5
149.09587	2.0
151.03961	5.4
151.07584	3.4
153.01830	100.0
153.05443	2.1
157.10159	3.0
158.99689	3.9
159.11739	4.5
161.09607	1.5
161.13367	2.0
163.03934	2.7
165.07072	2.2
165.12750	31.1
168.00533	1.6
171.02888	8.2
173.01250	2.6
177.00764	3.7
177.05484	42.0
179.03407	9.7
181.06593	1.4
183.02997	3.1
183.08110	3.3
183.13841	6.5
187.14786	1.5
191.02411	1.9
193.12184	2.1
201.00732	2.2
201.16501	4.1
211.07603	3.1
229.14378	11.7
243.10342	2.7
244.99814	3.2
257.08133	3.1
260.05859	6.1
262.09674	4.1
267.15933	35.6
271.09818	3.3
285.07733	2.7
285.16965	59.6
288.05310	11.5
303.08554	85.6
303.20401	3.0
303.23349	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	304.1499
Annotation	Nicotianamine
Peak:m/z	Relative Intensity
55.26351	0.6
56.04794	0.8
56.05038	11.5
56.96544	1.1
57.03410	1.5
58.06337	0.7
58.06598	6.6
60.04509	0.9
61.02929	6.3
62.03241	0.8
68.05016	3.5
68.05556	0.7
69.03415	2.5
70.06265	0.7
70.06596	12.9
70.95271	1.7
70.95641	1.4
72.08134	2.2
74.02425	1.2
74.06088	1.4
81.03390	1.3
81.23757	0.9
82.06578	1.4
84.04478	2.7
84.08138	1.5
85.02914	5.1
85.07670	4.9
86.03251	1.1
86.05582	0.9
86.06069	14.2
88.04021	1.1
91.05446	1.4
94.06532	0.7
96.08115	1.4
97.02888	1.6
98.09676	1.8
98.97598	4.3
99.04449	0.8
100.03975	4.6
101.00871	1.6
102.05545	7.7
111.09274	0.8
113.05201	0.7
113.07137	1.5
114.05533	51.0
115.02438	0.9
116.07085	0.8
116.98560	1.4
119.01844	2.2
120.94361	0.8
124.07616	5.0
124.95508	0.7
127.03920	2.1
128.02318	1.5
128.07079	2.0
129.06590	3.0
130.04976	1.7
131.01910	1.1
139.08673	2.1
140.07083	1.2
141.10239	9.9
142.08633	7.2
142.17046	0.8
143.01862	1.8
143.11758	1.1
145.03468	1.4
145.09723	2.1
146.99663	0.8
147.01512	0.7
151.08640	1.3
153.01418	1.3
157.03488	1.2
157.09766	5.9
158.99628	1.6
159.01407	0.9
159.11269	1.1
161.02936	1.0
168.01750	1.0
168.06589	1.4
168.11313	4.2
169.09770	0.9
175.03458	1.2
179.08527	1.0
182.09715	1.7
185.09221	100.0
186.07625	6.1
186.09198	1.1
189.02356	1.0
191.03870	1.1
191.54134	0.8
193.08760	0.8
196.10881	4.6
198.02870	1.1
198.12854	1.1
203.03912	1.0
203.10271	3.5
205.04590	1.2
208.11209	2.6
213.03400	1.8
213.53511	2.3
214.03506	1.1
214.11932	1.6
215.10387	2.4
216.10248	2.9
220.02245	0.8
224.10730	1.1
226.12257	7.3
232.03761	1.3
236.10757	2.1
237.02548	0.9
240.13531	4.0
244.00029	0.8
244.13287	1.0
254.11795	6.0
258.14523	2.0
263.00797	0.8
263.06067	1.0
268.13028	2.8
272.12869	8.9
281.07166	4.0
286.14017	69.8
287.14218	1.1
304.08157	1.6
304.15341	43.1
319.31500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
54.31891	1.2
55.01870	4.8
55.05312	1.3
55.05518	15.6
56.06640	1.3
56.96550	2.5
57.03195	1.5
57.03441	10.8
57.07083	1.6
59.05005	1.5
64.61237	1.4
65.82073	1.5
67.05511	28.5
69.03417	2.4
69.07070	22.7
71.04988	5.5
71.08640	2.3
73.18250	1.2
77.59806	1.4
79.05483	17.9
81.03375	2.7
81.07060	100.0
83.04992	8.2
83.08611	11.3
85.06535	8.6
91.04966	2.5
91.05487	30.5
93.07043	17.5
95.04966	4.8
95.08614	28.5
97.05984	1.2
97.06530	9.3
97.10163	2.6
98.20709	2.9
98.97604	7.6
99.04478	1.6
99.08085	3.7
105.06288	1.9
105.07032	39.9
106.86628	1.7
107.08595	18.0
109.06506	5.9
109.10152	6.2
115.07612	1.3
116.98650	3.3
117.07018	1.4
119.08587	36.1
121.06538	1.7
121.10148	28.6
122.03650	3.4
123.08067	6.4
123.11714	37.0
127.03895	1.5
127.07578	3.1
128.25604	1.3
129.07019	2.8
131.00117	1.6
131.08569	3.8
133.10144	8.5
135.11646	4.2
137.05983	37.5
137.13235	3.7
138.09154	2.9
141.09073	1.6
145.10112	4.3
147.11687	87.9
149.06044	2.0
149.09621	2.0
151.07538	2.0
151.11180	1.8
151.26146	1.4
153.05470	2.2
153.06845	1.6
157.10089	6.0
158.99568	1.5
159.11693	2.7
163.14836	1.8
164.07141	2.5
165.12758	44.0
173.01277	2.2
173.13268	1.7
175.11168	3.8
177.00671	1.7
183.08067	1.8
183.12099	1.5
183.13792	6.4
193.12288	5.7
211.07553	3.4
219.01772	2.0
229.14340	16.1
244.99750	2.1
267.15918	59.0
271.09583	2.6
276.04776	1.4
285.07614	2.1
285.16971	87.1
294.14215	1.6
303.08301	2.6
303.12320	1.4
303.23138	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	303.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.05292	0.7
55.05513	6.0
56.96560	0.7
57.03439	3.7
60.49199	0.8
65.03934	0.9
67.05173	1.0
67.05505	10.9
68.99780	1.5
69.03426	1.2
69.07069	8.5
69.62334	2.0
69.62740	1.5
71.04989	1.4
79.05495	7.4
81.07060	37.2
83.05003	3.3
83.05405	0.8
83.08620	3.9
85.02918	1.1
85.06544	3.5
91.05482	13.6
93.07043	6.4
95.04955	2.4
95.08604	10.5
97.06537	4.5
98.97578	2.6
99.00810	2.9
99.08092	2.3
105.07045	15.0
107.04949	1.7
107.08601	6.6
109.02909	0.8
109.06532	3.6
109.10154	1.2
111.08131	0.6
112.01582	2.4
113.06013	1.1
116.98614	1.0
119.04948	6.2
119.07794	1.1
119.08592	14.5
121.06490	1.5
121.10158	10.5
123.04403	1.3
123.08043	2.9
123.11711	12.7
127.00264	3.3
127.07574	1.7
129.07057	0.8
131.08588	1.1
133.10135	2.5
135.11746	1.2
137.05988	14.9
137.13234	1.1
140.01007	1.8
145.10141	1.4
147.04427	12.2
147.11696	36.6
149.09633	0.9
153.01819	0.8
153.05542	0.7
154.99774	1.5
157.10112	1.6
158.99744	0.7
159.11740	1.2
163.03899	1.5
165.06935	1.4
165.12772	20.0
167.03473	1.4
167.07178	0.8
168.00549	42.1
169.01239	0.7
173.13336	1.0
175.11197	1.9
179.03329	0.9
183.02899	100.0
183.13835	3.3
186.01605	20.1
193.12297	2.1
199.14894	1.1
211.13220	1.1
222.08344	0.7
229.14383	6.1
243.10069	0.9
267.15924	30.3
271.09821	1.4
285.12219	1.3
285.16965	30.4
288.05606	0.7
303.08643	71.5
303.17819	2.0
303.23273	2.6
304.09055	1.5
304.15475	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	5.8
55.01863	1.9
55.05515	41.9
56.96562	2.0
57.03430	2.5
58.06582	1.2
61.02919	1.1
61.67189	0.9
69.03434	37.2
69.07074	1.1
69.88621	4.0
70.06586	1.6
71.04981	3.9
72.08162	11.4
73.06561	100.0
73.08459	1.0
75.31663	0.8
79.72468	0.9
81.03423	21.4
83.01325	1.0
83.97945	0.9
84.04480	1.2
84.08144	1.2
85.02424	1.3
85.02914	16.0
86.09696	1.9
87.00843	4.2
88.13741	0.9
95.04925	1.2
97.02369	1.2
97.02914	13.0
98.97575	3.2
99.04465	12.1
101.06025	92.6
105.01864	2.0
109.02895	7.6
111.04440	2.4
116.98668	1.1
121.06474	1.2
125.02289	1.1
125.40208	0.8
127.03920	14.3
131.07066	1.7
137.06007	4.3
140.07016	1.6
141.05396	1.2
142.40402	0.8
142.48393	0.9
143.03406	7.5
145.04945	2.1
148.52069	0.8
155.06972	2.1
157.08592	2.3
158.99548	1.3
164.07063	1.3
171.02875	2.1
181.08578	5.1
189.03995	1.8
199.09641	6.2
210.56511	0.9
213.04016	5.8
214.18027	7.7
215.18425	4.1
231.05067	6.4
231.20715	1.2
243.08478	1.1
259.11749	1.3
261.05441	3.0
267.11383	2.4
279.06638	1.1
285.09766	16.0
285.12903	2.7
285.25354	2.9
286.25531	2.6
302.28033	4.2
303.10526	13.6
303.14096	14.3
303.28281	4.7
324.45868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0865
Annotation	Alnustinol
Peak:m/z	Relative Intensity
53.80192	0.5
55.01862	1.3
55.05511	4.6
56.02655	0.5
56.96560	0.8
57.03441	2.9
57.07071	0.8
65.03941	1.0
67.05180	0.6
67.05508	9.9
68.99788	0.9
69.03391	0.6
69.07066	5.9
71.04987	1.8
71.56140	0.6
71.56499	0.5
79.05494	4.0
81.03407	0.5
81.07058	27.0
83.04967	2.0
83.08620	3.4
84.02130	0.8
85.02913	0.7
85.06535	1.8
91.05478	9.6
93.07056	3.9
95.04955	1.6
95.08606	7.2
97.06552	2.6
97.10134	0.5
98.97571	1.8
99.00811	3.1
99.04438	0.7
99.08068	1.3
101.06036	0.4
103.05479	0.5
105.07028	12.0
107.04961	1.6
107.08599	5.3
109.06500	1.7
109.10155	1.9
111.04488	0.5
112.01615	2.7
113.05997	0.6
116.98624	0.6
117.06986	0.5
119.04945	5.2
119.08582	10.7
121.06512	0.5
121.10141	7.3
122.03647	0.5
123.04411	1.1
123.08076	1.5
123.11708	9.3
127.00301	3.1
127.07596	0.9
129.07022	0.9
131.08586	0.6
133.10112	2.0
137.02351	0.6
137.05971	10.5
137.13257	1.2
140.01059	1.3
141.09082	0.6
145.10143	1.0
147.04414	13.7
147.11688	23.8
147.41083	0.5
151.03911	0.5
151.07516	1.0
153.01880	0.5
153.06992	0.4
157.10112	0.9
159.11780	0.4
160.69595	0.4
163.03856	0.5
165.06993	0.8
165.12755	14.4
167.03355	0.5
168.00543	40.7
169.01323	0.7
175.11208	1.2
183.02893	100.0
183.13728	2.0
186.01590	20.1
193.12259	1.5
201.03812	0.6
229.05078	0.5
229.14314	3.7
243.10117	0.7
267.15912	19.3
271.09659	0.7
285.07620	0.5
285.16959	21.5
288.05917	0.8
292.08810	0.5
303.08627	74.2
303.17749	1.7
303.23129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0865
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
53.03942	0.5
55.01877	0.8
65.03923	1.0
67.05503	1.8
68.99786	3.7
70.66917	0.5
70.80685	0.9
73.58067	0.4
79.05486	1.7
80.56966	0.4
81.03430	3.8
81.07052	0.9
83.04976	4.0
91.05473	1.7
93.07042	1.2
95.04984	5.1
98.20868	0.4
103.05477	1.2
105.03374	0.7
107.04959	9.0
109.02876	1.4
111.00819	1.0
111.04442	0.6
117.03365	0.6
121.06510	3.7
122.03632	0.7
123.04435	45.8
125.06009	2.7
126.89647	0.4
131.04988	0.6
133.10150	0.5
134.03596	0.4
135.04428	5.1
135.05443	0.7
137.05989	36.2
141.06973	1.1
145.02843	0.8
145.10172	0.5
147.04359	0.6
149.02351	0.9
149.05965	5.4
150.06741	3.0
151.03912	100.0
152.04305	0.7
153.01842	10.4
153.05475	4.6
163.03906	4.4
163.07550	3.6
168.00578	1.2
169.06563	0.9
171.03023	0.5
171.19626	0.5
176.04662	0.8
177.05505	2.8
179.03406	23.9
183.02899	5.5
187.07594	0.9
191.07005	2.9
197.05942	2.4
201.05647	0.5
213.05504	2.6
214.06293	0.7
215.07114	1.3
225.05478	8.5
229.08627	5.1
242.05891	2.3
243.06543	0.7
255.06525	0.7
257.08118	7.2
269.04568	1.2
270.05356	0.7
275.09183	10.0
285.07568	6.2
287.00192	0.4
303.08643	60.8
304.08994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0865
Annotation	Ferreirin
Peak:m/z	Relative Intensity
53.03935	1.3
53.19152	0.7
55.01868	1.6
55.05502	1.5
56.96575	1.4
58.36166	0.7
65.03938	1.3
67.05498	2.4
68.99783	3.6
69.03419	1.9
69.07056	2.5
70.21705	2.5
79.05489	4.5
81.03414	2.0
81.07059	4.6
81.49178	0.8
83.04967	2.5
85.02911	2.1
91.05479	5.6
93.07050	4.0
94.56100	0.8
95.04983	5.8
95.08613	3.3
97.06516	1.3
98.97574	1.9
103.05480	1.4
105.07041	5.4
107.04967	3.0
107.08591	4.0
109.02878	1.2
109.06548	6.2
109.10130	1.5
110.03680	1.5
111.00826	1.2
111.04431	1.7
117.07005	1.2
118.04150	1.1
119.04932	0.8
119.08568	1.8
120.08074	1.4
121.02865	0.9
121.06507	19.0
121.10163	4.9
122.03661	1.7
122.09668	1.7
123.04435	33.4
123.08098	2.0
125.05995	6.8
127.03925	18.4
131.08527	1.4
133.06485	5.0
133.10135	1.6
135.04424	0.9
135.08043	3.0
137.02348	1.4
137.05983	70.9
138.09187	4.4
139.03941	1.1
145.06517	1.4
145.10150	1.4
147.04430	1.0
147.11649	1.9
149.02309	2.6
149.05986	25.9
149.09532	1.0
150.06746	2.2
151.03912	59.7
153.01854	12.1
153.05470	21.1
153.06708	1.3
155.03410	2.1
155.08551	1.5
157.10141	1.0
159.08003	1.2
161.09647	1.0
163.03836	1.5
163.07568	4.6
164.07108	2.3
166.08661	3.5
167.03363	1.4
167.07047	0.9
167.10680	3.1
168.05742	0.8
173.13232	1.3
177.05475	27.7
179.03401	44.0
182.06779	0.8
186.06738	1.3
187.07527	3.5
197.05984	2.7
200.04739	1.4
201.05475	4.5
211.07663	1.1
213.05467	3.5
214.06250	3.5
215.07108	5.9
225.05548	2.3
229.08673	8.5
242.05707	6.1
243.06525	3.1
253.04903	1.5
254.05707	1.7
257.08087	3.1
270.05270	6.9
275.09122	7.8
285.07581	75.7
285.18500	2.7
288.05325	1.3
302.63947	0.9
303.08624	100.0
303.23138	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78283	2.1
52.77130	2.2
56.96559	6.2
60.04523	3.7
66.48052	2.1
69.03433	3.3
69.67432	13.3
70.06587	9.9
73.02905	2.7
77.30885	2.4
81.03404	6.7
84.04498	3.5
84.08147	4.7
86.06036	3.4
96.92816	2.6
97.02913	2.9
98.20823	3.0
98.97568	8.5
101.00888	10.2
106.05042	4.2
106.65439	3.1
109.02874	4.9
109.99150	2.5
112.89614	100.0
114.89330	15.6
116.98606	4.3
118.03498	4.1
119.01918	22.6
119.03613	2.7
120.02079	2.0
124.02507	2.8
125.00259	2.4
128.00194	6.4
129.02110	2.4
130.05034	3.8
131.01849	3.5
133.03436	2.6
137.02927	4.8
142.03523	16.1
143.01898	8.1
145.03561	2.5
146.01231	4.4
152.07072	3.4
153.07359	3.6
154.33238	2.5
157.03488	9.7
158.97258	6.7
160.04558	6.5
161.02992	16.8
161.50627	2.2
162.02933	2.6
167.06691	3.0
171.01485	3.3
171.06198	2.3
172.04512	5.3
173.02864	2.6
174.04135	2.5
175.04582	3.5
175.11870	4.1
176.98314	3.4
177.00990	12.3
177.02391	3.3
177.04224	2.4
183.01485	2.5
184.04530	3.5
184.06189	2.4
184.98770	2.5
185.02986	7.3
188.04144	3.0
189.01923	5.0
192.05359	2.5
196.04689	4.5
196.06320	7.5
196.98724	4.0
200.98338	9.4
201.00949	10.3
203.04016	7.4
206.05072	6.2
207.02870	5.5
213.02472	3.7
213.07272	3.6
213.08966	2.8
214.05542	5.8
214.07373	5.1
215.05162	9.8
219.02003	26.8
221.01772	8.7
221.05000	3.2
222.55168	4.4
227.02455	22.7
231.08206	3.9
241.04094	2.8
242.99345	2.5
243.01868	5.9
243.04564	4.5
256.97552	7.0
257.06110	5.4
261.00284	2.9
261.03070	55.0
262.03116	4.0
263.06094	15.0
267.02164	13.7
280.06161	4.0
281.07208	54.7
283.06824	3.2
285.02988	10.8
285.07794	4.7
293.56439	6.0
302.89404	2.8
303.01425	47.8
303.04108	46.2
303.07239	18.4
303.17590	5.6
321.01981	6.6
321.05334	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	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38089	2.1
51.55389	2.2
56.96567	4.0
57.03432	8.1
61.02927	14.0
69.03432	19.0
69.53796	2.6
70.06610	3.7
71.55540	2.9
71.55880	3.2
73.02911	9.4
76.72125	2.0
77.67445	2.1
85.02908	33.2
86.03220	3.7
87.04421	3.2
90.84147	2.3
94.93000	2.4
97.02901	14.1
98.97585	12.0
99.03802	2.4
99.04445	3.6
101.00849	4.7
109.02886	3.0
110.06043	11.3
110.97630	3.7
111.00878	2.4
114.89324	12.8
115.98872	2.6
119.01814	7.8
127.03961	14.3
128.02315	4.4
129.10265	2.7
131.01875	3.6
134.06039	2.8
137.02847	3.1
137.05968	6.9
140.07074	100.0
141.06628	4.0
143.01965	3.2
145.03474	2.5
145.04939	9.4
147.01266	2.7
150.05502	6.1
152.07077	5.9
153.07315	2.3
158.99597	2.4
161.02888	4.5
164.07071	64.5
168.01790	2.5
173.02995	2.6
174.99138	2.3
175.02681	2.9
177.02322	4.2
183.02281	3.9
185.03004	2.9
189.00659	2.6
196.54091	3.2
200.04466	5.8
204.02892	7.2
205.54662	3.5
213.03438	15.1
217.00169	3.2
222.03802	3.2
231.03595	3.2
232.03668	2.7
242.99707	2.6
244.99509	2.7
256.09784	3.3
285.12207	8.4
286.10745	4.0
286.14438	3.6
291.03699	2.5
303.05441	3.1
303.08499	19.4
303.13412	68.4
304.15463	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	303.0865
Annotation	Ferreirin
Peak:m/z	Relative Intensity
53.03943	1.1
55.01870	1.5
55.05511	2.4
56.96572	0.5
59.05002	0.7
65.03944	1.0
67.01867	5.3
67.05509	3.6
68.99790	5.7
69.03426	2.3
69.07070	2.5
71.04996	0.8
71.56834	0.6
71.71136	0.6
76.57362	0.5
79.05503	4.2
81.03415	3.4
81.07068	4.9
83.04987	3.8
85.02912	0.8
86.09718	3.1
89.03912	3.4
91.05474	5.6
93.03396	0.7
93.07047	5.6
93.47623	0.5
94.04192	0.9
95.04971	5.3
95.08604	4.9
97.02880	1.8
97.06522	2.7
98.06860	1.0
98.97605	1.3
103.05466	1.4
105.07025	5.0
107.04957	5.4
107.08617	3.9
109.02898	1.1
109.06526	2.0
109.10157	1.6
111.00794	1.6
111.04456	1.5
111.08090	1.2
117.03386	11.1
117.06985	0.8
119.04977	1.6
119.08585	3.8
121.06528	4.5
121.10149	2.7
122.03655	1.7
123.04433	26.5
123.05331	1.4
123.08124	0.8
123.11729	0.9
125.02361	1.2
125.05991	5.1
127.03912	1.1
129.01825	0.8
129.07042	0.8
131.04968	1.0
131.08572	1.5
133.10144	3.3
134.03581	1.3
135.04434	4.5
135.05388	0.7
135.08018	1.2
135.11670	1.0
137.05986	44.4
139.07530	1.2
141.06985	1.3
143.03529	0.7
143.08517	0.8
145.02850	23.1
145.10144	1.5
147.04419	1.8
147.06876	1.3
147.07932	0.6
147.11697	4.2
148.07166	1.7
149.02449	1.0
149.05974	7.2
149.09618	0.9
149.13240	1.1
150.06767	2.0
151.03912	55.3
151.07547	4.0
153.01836	100.0
153.05453	3.6
155.08607	0.7
157.08705	0.8
157.10117	1.6
159.08086	0.6
159.11667	1.1
161.05969	1.2
161.13300	2.2
163.03839	4.2
163.07538	3.2
165.07004	0.8
165.12796	0.8
168.00597	2.5
171.02901	17.5
171.11681	1.4
173.06068	0.8
173.07828	0.6
175.11212	1.8
176.04669	0.7
177.05476	34.4
177.07828	0.9
177.11092	1.0
178.08182	0.9
179.01816	1.3
179.03397	20.5
183.02873	6.8
183.08064	1.1
184.07339	1.1
186.01584	1.4
187.07523	0.8
189.12778	1.7
191.07045	1.7
193.12334	1.1
197.06038	1.3
199.14830	1.1
200.16512	1.4
205.15874	0.7
207.06265	0.7
207.13826	1.1
211.07378	1.1
213.16510	0.8
215.07129	1.0
217.12257	2.0
219.06740	1.2
225.05470	3.6
229.08661	1.8
235.13345	1.9
242.05640	1.1
253.14413	1.5
255.06468	0.8
257.08032	3.1
260.05856	1.5
269.04453	0.9
271.09653	1.4
274.14008	3.3
275.09106	4.7
285.07559	5.1
285.12457	1.8
285.22052	1.1
288.05283	3.1
303.08627	95.6
303.17807	26.0
303.22794	3.9
304.08926	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03419	0.6
56.05040	8.5
56.96552	0.8
57.07079	7.6
58.06585	1.0
67.05497	0.8
70.06592	0.7
71.08621	2.6
74.06084	20.8
75.82906	0.6
81.07068	0.7
85.10180	1.3
88.07635	65.5
91.05478	0.8
93.60142	0.5
102.09215	0.9
110.09647	0.6
110.40742	0.6
116.07092	3.3
130.08594	0.8
134.08134	4.8
137.05978	1.4
164.07066	0.6
210.33589	0.6
242.22343	1.2
242.24811	23.3
259.05664	0.7
264.14374	0.6
270.14120	1.9
284.25903	2.3
286.04395	1.6
287.05060	7.0
302.07434	9.2
302.10574	1.2
302.17395	3.9
302.26920	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.139
Annotation	(S)-6-O-Methylnorlaudanosoline
Peak:m/z	Relative Intensity
57.50174	0.4
59.76765	0.3
70.06586	0.9
70.13522	1.2
70.13889	0.7
72.08149	1.6
76.08552	0.3
81.07032	0.6
86.09724	1.0
91.05491	2.4
94.04195	0.8
95.04987	0.6
105.07055	0.6
107.04955	0.7
109.06524	0.8
110.07159	0.7
112.07556	0.4
115.04678	0.8
115.05463	13.0
115.06278	0.7
116.72635	0.4
119.04948	1.3
122.03659	3.3
123.04430	5.1
133.06534	0.6
137.05988	57.1
143.04930	30.5
144.05768	0.4
149.04781	0.5
151.07553	1.7
161.05994	30.6
164.07079	100.0
165.07367	1.1
166.07800	0.6
175.07590	2.1
178.07724	0.8
179.08574	3.3
181.06599	0.5
191.08470	0.5
195.08136	0.7
196.89903	0.3
206.09695	1.5
207.08102	4.0
210.06827	0.6
213.09113	0.5
224.08357	1.1
224.10553	0.4
225.09183	1.6
234.09134	0.6
235.07635	1.8
237.09238	0.7
241.08646	0.5
252.07806	0.6
252.10249	1.2
253.08633	3.5
267.10223	1.7
270.08945	0.6
284.12875	0.9
285.11240	15.1
287.05096	0.6
302.13882	71.3
303.14297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1389
Annotation	Augustamine
Peak:m/z	Relative Intensity
56.96549	0.5
66.95127	0.3
67.05498	0.6
67.75546	0.4
69.03416	0.5
70.06590	0.9
70.12162	1.6
72.08153	0.4
84.04509	0.6
85.02892	1.2
86.09699	3.2
91.05473	1.3
93.34974	0.4
97.02890	0.8
107.04913	0.6
112.07605	0.4
115.05455	2.9
119.04964	0.5
120.08102	0.6
122.03635	0.5
123.04433	4.2
123.90960	0.4
132.04443	0.6
137.05981	12.7
140.07077	0.6
141.06993	0.5
143.03922	0.7
143.04933	8.1
144.37537	0.4
147.04407	0.6
149.05977	0.7
153.07028	0.9
155.08527	0.5
161.05998	7.5
162.05522	0.6
164.07074	22.6
165.06952	2.1
166.07803	1.6
167.08592	0.9
169.76305	0.4
177.06982	0.7
178.08852	8.4
179.08554	9.8
181.06512	0.8
181.10239	0.6
189.06932	1.9
190.07870	0.6
191.07187	0.6
191.08624	5.6
193.06551	0.8
194.07304	3.8
195.08017	1.5
196.07587	0.5
196.11263	0.5
197.05954	2.7
197.09715	0.6
199.18004	0.5
204.08058	1.3
205.06610	0.7
205.08900	2.1
206.07762	0.6
206.09662	14.9
207.08066	7.8
210.06775	1.7
211.07536	1.3
212.08417	3.5
212.10321	0.6
214.08568	0.7
214.17982	0.4
217.06470	1.0
217.08865	0.7
218.07251	0.6
219.08171	3.9
220.07541	0.8
221.05836	0.5
223.07564	1.6
223.09688	0.4
224.08322	3.0
224.10707	1.2
225.09113	5.2
226.08632	1.0
227.09534	0.5
233.08330	1.5
234.09158	6.9
235.07576	0.9
235.09911	2.3
236.07098	1.4
237.09152	5.0
238.08606	0.9
241.11023	0.5
242.11781	1.2
250.08722	0.9
251.09425	2.1
252.10197	8.8
253.11098	2.8
254.11810	3.5
267.10181	0.5
270.11304	2.5
284.12766	1.3
285.11200	3.1
287.05014	0.6
302.13876	100.0
303.14130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73759	0.9
55.01871	1.1
57.03418	1.6
61.02919	2.8
64.61630	0.9
65.03926	1.8
67.05169	1.9
67.05506	24.7
69.03429	13.6
69.07074	10.1
69.70947	4.4
70.06593	2.8
72.08132	1.3
73.02931	2.3
81.03423	4.8
84.04504	2.7
84.08146	1.8
85.02908	30.9
86.09702	3.9
91.05480	1.8
94.06575	1.5
95.04974	39.2
97.02898	27.2
98.20750	1.7
99.04465	1.3
103.03947	2.0
107.87189	1.0
109.02905	6.3
112.07614	31.1
113.06013	3.2
115.05470	4.2
121.06592	1.1
122.06058	2.4
123.04442	3.9
124.07606	1.5
127.03963	5.8
130.06520	1.7
136.07574	1.6
137.05980	21.1
140.07071	83.5
143.04918	10.9
145.04958	3.7
149.04839	1.3
149.05988	1.3
154.08647	5.4
161.05978	10.4
164.07076	34.1
165.07069	1.7
166.07800	1.3
178.08614	3.9
179.08598	9.1
181.08752	1.2
182.08147	49.4
183.08116	1.1
191.08612	4.5
194.07356	3.0
194.09319	1.0
196.11212	1.7
199.90546	1.1
204.07881	1.2
205.08862	1.4
206.08040	9.2
206.09798	8.4
207.08115	5.1
210.06827	1.8
212.08357	2.1
218.08252	2.0
219.08061	2.8
223.07538	2.3
224.08414	2.4
224.10579	1.7
225.09163	3.8
226.12256	1.8
227.09157	1.0
233.17587	1.0
234.09134	2.6
235.09959	1.6
236.09225	3.2
237.09155	3.8
242.11714	1.7
248.09238	6.7
251.09663	1.3
252.10135	5.3
253.08600	1.4
254.11879	2.2
266.11807	1.2
270.11322	2.4
284.13065	4.8
285.11227	5.0
287.05121	2.0
302.13916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
54.48529	0.6
55.01871	1.7
56.96557	1.8
57.03434	1.7
58.06601	1.0
60.04495	0.7
61.02920	2.2
61.10696	0.6
61.32436	0.7
62.88681	0.7
65.03937	1.7
67.05509	15.7
68.56660	0.8
69.03433	8.4
69.07076	7.2
70.06589	3.2
71.54855	1.4
72.08154	7.1
73.02927	1.4
79.05476	0.9
81.03439	3.3
84.04496	2.6
84.08150	7.2
85.02908	24.6
86.09695	4.3
90.05531	0.7
91.03970	0.9
91.05490	2.8
95.04973	24.4
97.02905	18.6
98.97572	1.3
99.04465	1.2
103.03979	2.0
103.05447	0.7
109.02878	3.3
112.06834	1.0
112.07614	19.5
113.06017	1.1
115.05460	3.5
119.04942	1.5
121.02893	2.4
121.06490	1.8
122.03200	1.5
122.06056	1.3
123.04441	3.8
124.04803	1.6
124.07597	1.3
127.03925	4.7
129.10226	4.1
130.05063	0.9
130.06557	1.4
131.04933	1.5
132.04437	0.8
134.06044	0.8
136.07579	2.0
137.05981	22.6
139.03935	1.9
140.04227	2.2
140.07071	55.3
141.07111	0.8
143.04942	6.1
144.10194	1.2
145.04996	1.9
146.05989	0.8
147.11259	1.2
149.05963	1.8
151.03952	1.0
151.07571	0.7
152.07115	1.7
153.06975	0.9
154.08691	3.5
159.04390	0.9
161.05983	6.5
163.02333	0.7
163.07582	0.9
164.07072	24.6
165.06937	1.7
177.00642	0.7
178.08781	1.8
179.08591	6.0
180.99550	0.7
181.06435	1.0
181.08823	1.6
182.08154	34.0
183.08185	0.9
184.07495	0.8
185.06033	1.3
191.07121	0.9
191.08662	1.3
192.07426	0.7
193.06445	0.8
194.07249	1.9
195.08017	1.5
196.07588	0.7
196.11266	1.7
197.05957	0.9
197.09634	1.0
198.09148	1.1
199.07677	1.0
206.08034	7.1
206.09811	4.1
207.08061	5.5
211.07547	1.5
212.08395	0.8
213.09251	0.8
214.08739	1.6
214.18039	3.4
218.08131	1.4
219.01921	0.8
219.08153	1.3
221.05763	0.8
223.07536	1.6
224.08228	2.0
224.10739	4.4
225.09149	3.7
226.08711	1.5
226.12193	3.2
231.07655	0.6
234.09164	1.8
236.09195	1.9
237.09143	2.5
240.10165	1.5
241.08617	1.2
241.11020	1.2
242.11790	2.0
248.09196	4.4
248.51308	0.7
251.09651	0.8
252.10127	4.3
253.10931	0.9
254.11774	1.1
255.10030	0.9
256.13266	1.6
266.11710	1.2
270.08673	0.8
270.11313	3.0
273.09164	1.6
274.14566	0.8
284.12955	8.8
285.11267	2.6
285.25299	1.0
287.05063	3.8
297.06537	1.2
302.07321	3.3
302.13928	100.0
302.27969	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.8
55.01868	12.0
55.05513	8.8
57.03233	1.6
57.03443	19.5
61.31485	1.9
63.11407	1.6
64.25892	1.9
65.03945	1.6
67.05173	2.7
67.05510	38.5
69.03433	2.0
69.07063	4.9
69.56107	10.7
69.56518	3.4
71.04994	3.6
73.73919	1.8
79.05058	3.4
79.05489	39.1
81.03430	6.1
81.07063	29.8
83.04990	19.1
83.08621	5.6
85.02901	3.3
85.06554	5.3
86.09694	2.8
91.05484	27.1
93.03416	2.5
93.07050	40.3
95.04978	14.5
95.08614	16.3
97.06517	14.7
98.97615	2.2
99.04492	3.9
105.07055	7.6
107.04964	34.6
107.08616	20.6
109.06551	2.8
109.10168	2.3
111.04461	25.7
111.08092	3.2
117.07008	12.9
119.04956	2.2
119.08569	15.2
121.05727	2.2
121.06530	7.6
121.10151	35.6
123.04414	2.9
123.08080	4.2
125.05993	2.7
129.07025	5.0
131.04919	4.4
131.08585	12.9
133.10072	1.9
135.11694	30.1
137.06003	11.9
139.07567	1.6
145.06479	5.0
145.10127	35.9
147.04391	1.9
147.08041	2.3
149.09608	4.9
153.01888	5.1
153.05492	3.7
153.12744	11.7
155.08575	6.1
163.11197	49.2
165.09183	2.0
168.00540	2.1
173.09636	23.3
177.05450	4.2
180.08911	2.0
181.12239	20.5
184.07436	2.5
191.08249	2.0
191.09061	2.6
191.10693	27.9
192.08914	9.6
193.09212	3.6
194.09471	6.3
208.08495	1.8
209.11713	20.8
210.11855	3.6
211.12167	3.4
214.08678	1.7
220.08450	6.3
221.08812	2.4
222.09019	4.5
225.11011	2.4
226.11876	2.5
227.12802	16.7
229.05017	3.3
236.10368	1.8
237.11020	7.4
238.08266	2.4
239.08865	2.9
239.11635	5.4
240.08730	3.7
241.04904	4.9
251.70160	1.8
252.10048	7.4
253.10558	3.3
254.11597	8.5
255.12454	4.5
258.05240	19.7
265.14313	3.9
267.12131	24.1
268.12387	11.8
269.04620	4.1
269.12711	84.5
283.15488	8.4
284.10538	2.2
285.03900	4.3
286.04706	49.0
301.07117	100.0
301.10049	3.4
301.16415	92.8
302.07755	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	301.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	21.3
55.05506	10.3
56.96561	4.0
57.03185	1.6
57.03442	15.4
57.07081	1.8
59.04991	1.5
65.03954	1.7
67.05174	2.1
67.05505	31.4
69.03412	5.4
69.07070	9.5
69.46170	9.9
71.04988	6.2
73.02927	1.7
79.05491	22.0
81.03404	3.5
81.07056	29.1
83.04485	2.0
83.04980	40.5
83.08620	8.8
84.08217	1.5
85.02910	7.7
85.06530	3.9
88.29036	1.6
91.05478	17.5
93.07047	38.2
95.04967	6.5
95.08605	14.0
97.02890	4.4
97.06523	17.6
97.10188	2.3
98.97581	6.2
99.04446	6.5
99.08073	4.4
101.02396	2.7
105.07026	9.1
107.04939	8.0
107.08601	21.1
107.92577	1.5
109.02855	1.8
109.06532	3.1
109.10158	17.0
110.97594	1.8
111.04444	69.8
111.08086	21.8
113.09643	6.8
115.05479	2.0
117.07037	7.2
118.04119	1.6
119.04954	3.2
119.08580	13.4
121.02826	2.3
121.06493	7.0
121.10160	20.8
123.04442	7.4
123.08042	1.5
123.11622	1.8
125.05976	5.8
125.09597	2.0
127.03909	1.9
127.91523	1.4
128.98604	2.0
129.07010	3.1
131.04900	2.1
131.08582	10.0
133.10127	3.9
135.04338	1.9
135.11705	23.1
137.05997	15.4
138.06354	2.5
139.07527	11.4
139.11174	3.5
145.06468	2.7
145.10133	18.7
147.06749	4.7
147.07985	2.6
147.11667	8.1
149.02280	2.1
149.06023	2.9
149.09637	5.3
149.13216	2.4
151.07475	3.2
152.06209	2.0
153.01833	3.1
153.06985	4.9
153.12755	33.5
155.08528	6.0
157.06453	1.5
157.08650	7.1
157.09851	1.4
158.99710	1.6
159.11705	2.3
161.05922	1.5
162.99156	1.4
163.03889	1.6
163.11189	43.6
165.07033	5.3
168.00571	4.5
173.09584	13.0
176.07190	1.7
176.10701	1.6
177.05478	2.0
177.07907	1.6
179.00220	1.5
181.06435	5.6
181.12228	56.1
183.04405	2.0
184.07317	2.0
185.05989	1.9
186.01579	3.2
191.10672	60.1
192.08920	5.3
195.07840	2.1
197.06006	3.9
198.06804	3.4
202.12350	1.7
209.06013	2.5
209.11697	20.2
211.07504	1.8
211.09474	2.8
212.04622	1.6
213.05394	3.8
213.09030	1.9
215.01588	1.6
215.06873	1.5
219.01793	1.8
220.08398	6.2
223.07436	2.0
224.10632	1.7
225.07518	2.0
225.11107	4.9
226.06279	4.4
226.11819	2.4
227.12784	71.7
229.04912	2.3
230.03903	3.6
237.02689	2.0
237.08815	2.1
237.11049	6.0
238.08273	1.6
239.09068	3.8
241.04988	4.0
241.08560	4.4
243.01228	2.6
247.16917	1.8
251.07240	1.6
252.10846	1.7
253.10789	2.9
254.11353	13.5
255.01093	2.7
258.03085	3.1
258.05606	10.2
265.17938	3.0
267.12125	2.4
268.13263	2.2
269.04477	3.9
269.07971	2.6
269.13702	48.1
270.03329	3.3
273.05658	11.7
273.13519	3.8
280.07913	12.5
280.58002	1.8
283.15482	19.3
285.03952	6.9
286.04736	81.0
289.08658	1.9
289.58682	1.6
300.59061	3.1
301.07477	100.0
301.10696	22.3
301.16391	87.9
301.20352	1.4
301.21533	2.9
302.17496	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	0.6
56.96494	1.0
56.96744	0.5
57.07023	0.5
57.94686	0.4
58.06535	0.7
58.45510	0.4
61.02867	0.5
66.72521	0.4
67.05430	0.7
68.99707	0.4
69.07005	0.7
69.83560	1.0
69.83978	1.1
70.41838	0.5
74.79485	0.4
79.05433	0.5
81.06992	0.5
82.73909	0.4
83.08552	0.5
85.02826	0.5
88.03903	1.6
91.03899	0.5
91.05396	0.9
95.04920	0.5
97.02823	0.6
98.21431	0.5
98.97507	1.2
105.06908	0.5
111.04353	0.4
116.98524	0.6
118.04121	0.6
119.08488	0.5
123.04392	1.0
135.04335	0.9
135.11703	0.4
136.06076	0.8
137.05952	0.9
137.06937	0.4
151.03905	5.1
154.94109	0.7
155.04814	0.7
168.00537	2.4
168.05617	0.6
169.01213	0.5
170.07228	0.5
172.05093	0.8
172.95135	0.7
175.57274	0.4
182.07196	0.9
183.02960	0.6
183.04430	7.5
183.07990	0.5
186.01521	1.6
186.07520	0.4
192.08871	0.5
197.05806	0.6
198.06772	15.6
211.03902	3.9
213.09013	1.2
220.08437	0.7
223.03908	0.8
225.11021	0.7
225.84998	0.4
226.06244	46.9
228.97737	0.6
237.11136	0.7
238.06303	0.9
239.08958	0.6
240.04193	0.7
241.08598	70.5
253.10631	0.6
254.05829	1.6
254.11296	2.0
257.04495	0.7
258.05243	1.6
261.75439	0.4
267.12128	0.5
268.13196	0.5
269.08090	100.0
269.13382	6.3
270.08646	0.6
280.14832	2.1
285.03989	4.2
286.04736	27.3
300.32550	3.5
301.07144	31.4
301.10660	5.7
301.16434	3.9
301.32874	2.1
317.18024	1.2
318.18250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46561	1.2
53.03939	2.1
55.01864	5.9
55.05511	6.1
57.03441	14.4
59.04976	1.5
65.03930	1.8
67.05171	1.7
67.05505	24.9
68.99794	2.0
69.07053	4.9
71.04990	2.7
71.41869	1.9
75.79675	1.1
79.05495	22.8
81.03403	4.3
81.07053	16.3
81.22253	1.2
83.04975	11.7
83.08588	2.2
85.02898	1.5
85.06532	3.5
89.97770	1.3
91.05480	12.7
92.99992	1.2
93.07043	25.2
95.04979	8.0
95.08610	10.2
96.20719	1.2
97.06516	8.2
97.10072	1.2
99.04448	2.9
105.07043	6.4
107.04951	15.1
107.08597	11.8
109.06510	3.7
109.10153	3.3
111.04458	14.1
111.08065	3.6
117.07005	6.4
118.04157	1.8
119.04919	1.4
119.08581	6.9
121.06486	1.8
121.10149	20.5
123.04435	4.2
123.08071	3.1
125.05983	1.5
129.06975	2.1
130.07809	1.1
131.08548	6.1
135.11693	15.6
140.00984	1.5
143.08540	1.6
145.06453	3.1
145.10129	20.7
147.08081	1.4
149.09612	4.7
151.03912	10.2
153.12793	6.0
155.08571	4.1
163.11194	28.5
168.00549	8.6
173.09619	13.7
181.12231	10.8
186.01620	4.4
191.10690	18.3
192.08821	1.7
209.11684	8.9
212.04752	1.5
220.08386	2.2
225.10910	2.0
227.12747	10.0
228.97862	1.5
237.10890	1.5
240.03983	1.2
253.10634	2.0
254.11270	5.1
258.05264	3.2
265.14429	1.4
269.13651	16.4
283.15369	5.4
285.03888	13.4
286.01465	2.8
286.04709	87.1
301.07053	100.0
301.16461	51.6
301.20053	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	301.1074
Annotation	Isosativanone
Peak:m/z	Relative Intensity
53.03945	3.0
55.01879	4.3
55.05501	2.6
56.96563	1.0
57.03430	1.5
59.57574	0.8
65.03935	2.6
67.05508	12.1
68.99788	5.1
69.03420	3.4
69.07063	2.7
70.04240	3.9
71.05016	4.6
79.05116	1.0
79.05499	9.7
81.03410	1.4
81.07065	16.6
83.04984	2.6
83.08614	2.0
83.22602	0.9
85.02899	2.7
85.06567	1.1
89.03903	1.3
91.05486	20.0
92.05824	1.4
93.07047	16.7
95.04967	8.6
95.08631	6.5
96.08974	0.8
97.02913	2.2
97.06538	2.4
98.97601	2.3
99.08080	1.3
103.05484	10.6
105.03398	1.0
105.04563	1.6
105.06405	1.0
105.07040	14.0
106.04183	2.1
106.07363	2.8
107.04964	52.6
107.08609	6.0
108.02071	1.0
109.06529	5.6
109.10146	4.2
111.04433	1.7
114.73599	0.9
115.05484	1.3
117.07001	3.1
118.04150	2.0
119.04924	3.8
119.08579	4.3
120.05720	2.7
121.02874	1.7
121.06512	62.9
121.10112	2.6
123.04430	22.2
123.08080	0.8
123.11675	2.3
124.05193	2.5
125.05976	4.8
128.06213	1.4
129.06978	2.0
131.00151	0.9
131.04918	5.1
131.08592	2.8
132.05714	1.4
133.02844	1.0
133.06470	2.9
133.10143	5.3
134.03625	4.8
135.03503	1.6
135.04448	14.4
135.05453	1.3
135.08041	10.7
135.11714	2.2
136.05180	2.7
136.11230	1.2
137.02356	1.1
137.05984	62.9
138.06723	1.2
141.05461	4.1
143.08597	1.5
144.05688	1.0
144.50015	0.9
145.02878	2.1
145.06425	2.2
145.10133	2.9
147.04358	3.0
147.11707	1.8
148.05188	2.8
149.01291	1.0
149.05992	55.5
149.13269	2.5
150.06804	6.1
151.03918	13.7
151.07552	10.0
151.11208	1.2
152.06195	3.2
153.01953	1.2
153.05522	5.7
153.06995	3.9
156.97121	0.9
157.10167	1.1
159.04356	1.1
159.08128	1.0
159.11693	6.0
160.05247	2.1
161.05960	7.1
162.03162	1.1
163.03888	1.1
163.07562	31.6
163.11148	1.3
165.05540	1.5
165.07010	4.1
167.08566	2.5
168.00499	4.8
169.06458	3.3
170.07280	4.1
171.08029	1.3
173.06013	1.0
173.13251	1.7
174.06769	4.0
175.07562	10.1
175.11111	1.1
177.05481	42.3
177.09097	13.0
177.12767	2.9
179.14246	1.5
180.05630	1.3
181.05005	1.1
181.06493	14.1
182.07272	2.2
183.08076	2.1
184.05182	2.5
185.09579	1.8
186.01576	2.7
187.07553	5.8
187.14754	1.2
189.09096	10.1
191.08501	1.7
192.08832	1.4
193.06569	1.1
195.08060	5.9
195.13707	0.9
197.06003	5.7
198.06757	9.7
199.07571	6.5
201.09189	1.3
203.07043	1.5
203.10753	1.8
203.12473	1.2
205.06454	1.1
208.05168	1.5
209.05984	2.2
209.11604	2.5
210.06747	2.7
211.07588	3.0
212.04834	1.1
212.08353	4.3
213.05861	1.2
213.09119	26.0
215.07082	4.9
220.08415	2.7
222.06805	1.0
223.07570	4.3
224.08345	2.5
225.05453	2.6
225.11113	2.3
226.06235	12.5
226.11844	2.7
227.07043	3.8
227.10687	4.0
229.04866	1.0
229.08463	1.4
231.10277	1.0
237.08827	1.9
237.10995	3.0
237.16663	2.2
239.09099	2.3
240.07803	5.0
241.08614	22.2
242.09393	8.4
243.06587	2.2
244.09496	1.4
245.08208	1.8
250.06184	1.4
251.06924	1.8
252.07861	1.9
252.10919	1.6
253.05031	1.1
253.10786	2.0
254.11382	7.7
255.10164	6.3
255.17691	2.0
256.20673	2.6
257.20978	18.0
258.05402	4.7
258.08792	5.6
259.09708	1.1
267.06586	2.6
268.07263	3.3
268.13300	1.8
269.08127	2.6
269.13629	28.7
269.17435	6.3
271.05859	1.4
272.10410	3.3
273.11218	86.1
283.09647	20.4
285.04068	6.8
286.04764	46.9
286.08081	3.3
301.07034	57.0
301.10693	100.0
301.15961	12.8
301.23923	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	301.1069
Annotation	(-)-Sparticarpin
Peak:m/z	Relative Intensity
53.03917	0.7
55.05482	0.9
56.96526	1.3
61.02892	0.7
62.50609	0.8
64.89706	0.7
67.05461	2.2
68.99767	1.1
69.07042	1.8
71.56759	0.8
75.33708	0.6
76.11245	0.8
78.96731	0.6
79.05473	1.4
79.63816	0.6
81.07042	1.1
85.02878	1.1
91.05436	2.3
93.07013	1.5
95.04913	1.6
95.08550	1.5
98.97538	3.0
105.03346	0.8
105.07037	0.8
107.08568	1.1
116.98613	1.6
118.04114	1.3
119.04911	1.4
119.08562	1.1
121.06481	2.1
123.04425	1.4
128.01366	0.7
128.06044	1.0
131.08539	1.1
133.10147	0.8
135.04393	2.5
135.11856	0.7
137.05991	4.9
137.67584	0.6
140.01112	1.0
143.00124	0.7
145.06493	1.1
147.04359	1.1
148.05132	1.0
149.05991	1.0
151.03946	1.3
163.03923	11.0
167.85764	0.7
168.00540	5.2
168.05701	2.6
169.06429	0.8
172.08742	0.9
177.05461	3.2
181.06387	1.3
183.08049	4.0
184.05209	0.9
184.08835	1.1
185.05939	2.4
186.01630	3.0
191.08473	1.4
192.08923	1.5
195.08029	1.8
196.05199	0.9
197.06000	1.6
199.07549	2.3
200.08344	10.1
209.11650	1.3
211.07552	9.4
211.09482	1.3
212.04675	1.2
212.08327	3.5
213.05492	1.2
214.99286	0.8
219.07880	1.2
220.08377	2.5
223.07515	1.2
224.08327	2.6
225.05450	1.0
225.11079	2.0
226.11839	1.5
226.94083	0.8
227.10667	1.0
228.07819	9.6
237.05486	1.9
237.08719	1.5
237.11037	2.9
239.09070	1.3
240.04108	1.0
240.07870	3.3
241.04912	1.8
243.10187	100.0
244.10452	1.0
251.07007	2.0
252.07808	2.8
252.11104	0.9
253.10670	1.9
254.11330	6.4
255.06676	2.1
255.10194	4.4
256.07367	2.5
257.04605	1.1
258.05243	3.7
266.09393	0.9
267.12183	1.2
268.07300	1.1
268.13272	2.0
269.13684	23.9
271.09659	68.6
272.10220	1.0
283.06525	1.6
283.09662	27.3
285.03860	7.2
286.04730	49.5
295.96307	0.8
301.07111	63.0
301.10587	8.0
301.16412	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	301.1074
Annotation	(6aR,11aR)-8-Hydroxy-3,9-dimethoxypterocarpan
Peak:m/z	Relative Intensity
50.71044	0.5
53.03947	2.0
55.01870	1.2
55.05505	0.6
65.03947	1.0
66.52216	0.5
66.58979	0.5
67.05515	2.8
68.99794	1.7
69.07061	0.9
69.85777	3.0
69.96162	0.5
73.09619	0.6
77.03931	0.7
79.05495	7.4
81.07065	3.3
83.04974	0.6
89.03974	0.6
91.05492	2.7
93.07070	1.0
94.04179	0.6
95.04976	4.9
95.08616	1.8
98.10043	0.6
98.21422	0.9
98.97586	2.1
103.05489	1.0
105.04523	1.0
105.07037	0.9
107.04962	26.6
107.08625	0.9
109.06515	1.0
109.10155	0.6
116.98602	1.0
117.03403	1.3
118.62182	0.5
119.04999	1.1
121.06512	4.9
122.03646	2.3
123.04437	60.2
125.06000	6.0
131.08582	0.6
133.06516	1.0
134.03725	0.6
135.04443	1.5
135.05544	4.6
137.05988	100.0
138.06354	0.7
139.07576	0.7
147.04411	4.7
148.05016	0.7
149.06006	9.4
151.07593	1.9
152.06120	0.7
153.05476	1.6
153.06964	1.0
157.06531	0.6
160.05145	0.7
161.05984	3.5
162.03198	1.0
163.03915	1.4
163.07547	1.4
167.07045	4.7
168.00566	2.4
177.05495	6.8
179.07083	0.7
181.06523	1.7
184.05426	0.7
186.01680	1.4
187.07622	0.7
191.06967	0.7
195.08141	0.8
198.06786	1.1
199.07674	1.3
209.06052	0.7
209.11545	0.6
211.09566	0.6
213.09175	1.8
215.07144	0.6
220.08357	0.7
225.11104	1.1
226.06227	0.7
227.07071	1.2
229.07370	0.7
231.10350	0.5
237.05435	1.2
237.11041	0.9
241.08656	4.4
242.09396	0.8
243.06483	0.6
245.11783	0.7
253.10872	0.5
254.05849	0.8
254.11319	2.7
255.06583	1.1
257.04559	0.8
258.05276	1.3
267.12326	0.6
269.08102	6.4
269.13657	9.6
270.08691	2.5
271.06046	1.1
273.07748	1.5
273.11267	7.1
285.03885	3.1
286.04770	18.1
286.08179	2.4
300.09595	1.2
301.07077	25.6
301.10699	55.9
301.15778	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1072
Annotation	Onysilin
Peak:m/z	Relative Intensity
50.01618	0.3
52.03167	0.3
52.09942	0.2
53.03957	0.2
53.97239	0.2
55.01895	0.2
56.96574	0.5
61.02951	0.2
67.05528	0.8
68.99832	0.9
69.03446	0.2
70.07612	0.8
73.02950	0.2
79.05495	0.3
81.03436	0.5
81.07069	0.4
83.08640	0.3
85.02917	0.3
91.05489	1.8
93.96672	0.2
95.01318	0.3
95.08643	0.3
97.02892	0.3
98.97603	0.6
103.05487	0.8
105.03394	0.4
105.07047	0.3
108.02106	1.8
109.02877	2.1
109.10171	0.5
109.43102	0.2
111.00810	0.5
115.03977	0.3
121.06487	0.4
121.10202	0.3
123.04461	0.3
126.03163	0.4
129.25903	0.2
131.04961	1.3
135.11864	0.2
136.01567	11.1
137.02333	0.7
139.00275	1.0
151.03923	0.7
153.01801	1.4
154.02621	7.8
164.01045	5.1
165.01840	0.4
165.07007	0.3
168.00618	1.1
169.01318	0.4
181.04968	1.5
182.02101	23.5
186.01631	0.3
197.04459	100.0
198.04750	0.5
200.03169	11.7
209.04431	0.5
210.09111	0.3
220.08365	0.4
224.08334	0.4
226.11815	0.3
227.10629	1.0
229.07487	1.0
237.11018	0.5
240.03900	0.2
244.79883	0.2
247.08568	0.7
248.35985	0.3
253.10704	0.3
254.11200	0.8
255.10185	1.3
257.10712	0.3
258.05289	0.4
259.09650	0.8
269.13705	2.7
283.09616	0.5
285.03833	1.2
285.07245	0.5
286.04657	9.2
286.08240	2.6
301.07034	10.5
301.10632	59.0
301.16217	1.5
302.11066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	7,8,3'-Trihydroxy-4'-methoxyisoflavone
Peak:m/z	Relative Intensity
51.59365	0.3
52.62757	0.3
53.03942	0.3
55.01872	0.8
55.56905	0.3
56.96569	0.6
65.03926	1.5
67.05508	3.3
68.99792	1.7
69.03432	0.9
69.07074	0.5
70.91184	0.6
71.04993	0.4
74.16496	0.4
77.03937	0.4
79.05489	1.3
81.03409	0.4
81.07033	0.8
82.48080	0.3
85.02904	0.8
91.05475	1.1
93.07059	0.6
95.04971	5.5
95.08625	0.7
97.94620	0.3
98.97580	0.7
103.05457	0.4
105.07020	0.7
107.04958	20.7
107.08592	0.6
109.10162	0.5
111.04442	1.1
117.07023	1.0
117.56788	0.3
118.04153	0.5
119.04944	0.9
119.08549	0.6
121.02879	4.3
121.10127	0.5
123.04432	100.0
125.05968	0.8
128.06183	0.4
129.06952	0.4
131.04955	0.4
133.02847	2.0
133.10144	1.0
134.03647	1.6
135.04437	0.6
135.11699	0.5
137.05971	1.6
139.03908	16.8
141.06996	0.6
144.05653	0.3
145.06436	0.6
147.04399	2.6
147.11668	0.4
149.02348	10.9
149.05986	0.5
151.03947	1.0
151.07536	0.4
153.06940	0.3
157.06461	1.7
159.08069	0.4
159.21465	0.3
161.05997	1.0
163.03918	1.8
163.11229	0.8
164.04654	0.9
167.03423	0.9
168.00569	0.9
169.06500	0.5
171.04359	0.8
173.05963	0.8
174.03130	0.7
175.03893	1.5
175.07558	0.3
177.05495	1.2
179.03427	1.6
181.06531	0.7
182.07095	0.4
184.05199	0.9
185.05954	2.4
187.07631	0.4
189.05505	0.4
191.14326	0.3
192.08908	0.4
197.05962	0.6
198.06784	0.4
199.03893	0.6
199.07500	0.5
201.05502	0.5
203.07057	0.8
205.08681	0.4
212.04680	0.9
213.05469	5.0
215.07082	0.4
217.08620	1.0
219.01958	0.3
220.08470	0.4
226.06253	0.4
226.11842	0.4
227.07025	1.1
229.04883	0.6
231.06512	0.7
237.08888	0.4
237.11133	0.4
239.09137	0.5
240.04207	0.4
241.04953	2.2
242.05832	2.2
244.03592	0.5
245.08099	40.6
246.08455	0.5
253.10826	0.5
254.11382	1.9
255.06531	1.5
255.11246	0.8
257.04459	0.8
258.05185	3.0
268.13266	0.6
269.04529	0.9
269.13754	5.2
272.06723	1.0
273.07578	63.9
274.07770	0.5
283.06100	1.9
283.10760	1.4
285.03851	0.7
286.04745	6.8
301.07013	18.6
301.10666	4.6
301.16412	2.4
301.21521	1.0
302.17526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.107
Annotation	(6aR,11aR)-8-Hydroxy-3,9-dimethoxypterocarpan
Peak:m/z	Relative Intensity
52.61020	0.3
53.03942	0.3
53.38453	0.2
55.01883	0.4
65.03944	0.8
67.05511	3.5
68.99780	0.5
70.60806	0.4
70.61162	0.6
71.50497	0.2
71.89779	0.3
79.05505	0.5
81.07077	0.3
91.05492	0.8
95.04975	6.1
95.05564	0.4
100.99297	0.3
105.07007	0.4
107.04971	0.7
109.06540	2.5
112.30820	0.2
119.04919	0.7
121.06519	0.6
123.04436	100.0
135.04439	0.5
135.08092	0.3
137.05994	3.4
139.07484	0.4
147.04419	12.6
149.06004	0.3
151.07573	0.9
151.11391	0.3
153.05490	1.0
155.07051	1.5
162.62323	0.2
163.03922	0.8
163.07555	0.5
167.07047	17.2
179.07045	4.2
191.07028	1.1
222.22253	0.3
269.08041	0.4
269.13788	0.3
273.11133	0.4
286.04745	0.8
286.08139	0.2
301.07169	1.1
301.10690	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.4
53.03923	1.4
55.01852	0.7
55.05495	0.4
56.96555	0.9
57.02479	0.3
58.06575	0.7
60.04521	3.8
68.18132	0.4
69.03406	0.8
69.07041	0.6
70.06596	2.1
70.29339	1.5
71.89682	0.4
73.02908	0.5
79.05474	0.5
81.03412	0.7
81.07038	0.5
82.06587	0.5
84.04492	1.7
84.08148	0.6
85.02897	1.7
86.09702	0.8
88.02226	1.1
88.03986	1.0
91.05487	7.6
93.07050	11.4
95.04961	1.6
97.02894	0.4
98.97571	0.7
102.05531	2.6
103.03954	0.8
103.05473	7.8
105.04518	0.8
106.06566	0.5
110.07185	0.5
112.02407	0.4
116.98611	0.4
118.06537	0.7
119.04947	1.1
120.06589	7.0
121.06512	100.0
122.06036	0.5
122.06857	0.6
123.04410	0.6
124.03899	0.4
124.07565	0.4
127.03918	0.5
128.98616	0.6
130.06570	1.7
131.06877	0.5
132.08104	0.5
134.02747	1.0
134.06088	0.7
136.06209	2.1
136.07545	0.5
137.05988	3.5
138.05499	0.7
145.35780	0.4
147.04456	0.5
148.06105	1.1
150.05519	0.7
151.07565	1.0
152.07115	0.5
154.33913	0.4
156.08118	0.4
158.29536	0.4
162.05521	0.9
162.07668	1.5
164.07079	7.9
168.06697	0.6
168.08145	1.1
170.09682	0.8
176.07050	0.6
177.00684	0.8
180.08702	19.0
180.10094	0.8
181.08914	0.8
184.11258	0.9
194.09703	1.8
195.10127	0.7
196.07704	0.8
196.09595	0.7
196.11253	1.2
198.09219	0.7
200.10733	1.1
203.50595	0.4
206.09697	0.9
206.11603	0.4
208.09723	1.3
209.08612	0.4
209.10437	1.7
210.09193	0.9
211.10008	0.5
212.10645	2.2
213.11548	0.6
214.05119	1.3
219.08142	0.9
221.10782	1.0
222.09169	1.5
222.11215	2.2
223.10077	0.7
223.12173	3.3
224.07065	0.4
224.10736	2.1
224.12764	8.6
225.11539	0.7
226.08820	0.4
236.08583	0.6
236.10843	1.0
238.08705	1.3
239.09656	0.4
240.06793	0.4
240.10197	1.3
240.12466	4.8
241.10883	2.3
251.10966	0.6
252.06900	0.4
252.10207	0.6
253.10944	2.7
254.11743	2.0
254.14185	0.4
256.10202	0.4
256.13504	1.2
264.15833	0.4
268.09814	4.7
268.13443	7.1
282.13635	1.2
282.17233	1.5
283.08173	0.5
284.09372	0.8
285.10071	0.8
286.04788	0.9
292.64859	0.4
295.06805	0.5
300.14670	41.1
301.07291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Koparin
Peak:m/z	Relative Intensity
55.01863	0.7
55.05513	1.4
56.96560	0.6
57.03432	0.4
67.05495	0.8
68.99781	1.0
69.03455	0.3
69.07064	0.4
70.63396	0.7
70.63771	0.5
79.05486	0.7
79.74950	0.2
81.07055	0.8
82.06579	1.0
83.04993	0.4
83.08633	0.7
91.05471	1.5
91.58105	0.3
93.07040	1.6
93.66672	0.3
95.04971	0.6
95.08596	1.1
97.02929	0.5
97.06536	0.4
98.97600	3.2
100.07587	0.4
100.11259	1.9
101.06002	0.4
101.11600	0.9
105.03382	0.6
105.07063	0.5
107.04955	2.5
107.08570	0.4
109.10160	0.7
110.06053	0.4
111.02693	0.3
111.04453	1.0
111.08106	0.5
112.06702	0.3
112.07558	0.3
113.09650	1.2
115.05437	0.3
116.01653	0.3
116.98640	1.0
118.04227	0.2
119.04958	3.0
119.08590	0.7
121.02931	0.5
121.06523	0.5
121.10155	0.5
123.04443	2.6
124.01574	0.8
126.12828	1.4
126.83140	0.3
133.10136	0.6
134.03641	9.4
135.04449	0.3
135.11671	0.4
135.85014	0.3
137.05989	0.7
139.03922	0.6
139.07552	1.1
141.11497	0.8
141.61668	1.0
145.10095	0.4
147.04436	1.5
149.02280	0.4
152.01071	1.1
153.01833	9.6
155.08606	0.3
157.08621	1.0
158.02808	0.4
158.99634	1.1
160.05238	0.7
161.02374	1.2
161.05986	1.0
165.06967	0.4
167.03409	13.9
167.08777	0.3
170.02115	0.7
175.07574	0.6
177.00722	0.9
181.06519	1.0
182.07428	0.3
182.15457	1.2
183.15834	0.6
184.11470	0.6
192.08981	0.7
199.03928	0.4
199.18111	0.5
200.04745	0.7
200.18333	0.4
203.07045	3.5
203.08749	0.4
205.16618	0.4
209.11650	0.5
210.14885	0.9
211.07510	0.3
211.15269	0.8
213.05571	0.6
215.07068	0.3
216.04185	5.2
217.04897	0.9
218.66176	0.4
219.16414	1.6
219.66599	0.3
220.08438	0.8
225.11015	0.4
226.11882	0.4
229.04895	1.4
230.05823	0.6
231.06519	8.5
237.08679	0.3
237.11006	0.6
239.08929	0.5
239.11353	0.4
240.04057	0.5
241.05000	0.8
241.08717	0.5
244.03766	0.5
245.08168	1.1
253.10713	0.5
254.11269	1.1
255.06407	0.5
258.02820	0.6
258.05280	1.1
259.06027	1.1
267.03336	0.5
267.11893	0.7
268.03656	3.9
268.12637	0.4
269.04437	3.4
269.13589	6.3
273.07523	0.8
273.11075	0.3
280.07581	0.3
282.69498	1.2
283.06052	4.2
283.19626	0.5
285.03961	4.1
286.04739	9.8
301.07089	100.0
301.10138	3.5
301.16016	7.5
302.07358	0.9
302.17670	0.6
309.11188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1232
Annotation	Demethylcephalotaxinone
Peak:m/z	Relative Intensity
52.17159	0.3
53.03954	0.6
55.01862	1.2
55.05491	0.5
56.96555	0.8
57.98830	0.3
63.32610	0.3
69.03426	0.7
69.07034	0.4
70.06580	0.3
71.19789	0.6
73.02921	0.7
79.05485	1.3
79.92340	0.3
80.04990	0.6
85.02881	0.7
91.05484	3.9
93.05775	0.4
94.06564	0.6
95.05002	0.4
98.97586	0.5
101.02355	0.7
103.05485	0.5
106.06527	0.4
107.04959	0.6
109.06521	0.5
110.07236	0.4
113.63368	0.4
115.05446	1.1
117.05746	1.1
117.07009	0.9
118.06552	1.0
119.04921	1.5
120.04497	0.4
121.06512	0.9
124.96455	0.4
125.02341	1.2
128.06229	0.5
129.07013	1.2
130.06537	13.9
131.04929	0.7
131.07330	0.7
132.08098	1.6
137.05980	10.5
139.04016	0.3
139.05353	0.4
141.06998	1.7
141.40782	0.3
142.06564	0.5
143.07323	0.9
144.08099	1.6
145.08942	0.4
146.06021	0.7
147.06795	1.1
150.05505	0.6
152.06207	1.7
153.06992	1.3
154.06529	3.6
154.07689	0.7
155.07268	1.4
155.08441	0.6
156.08099	4.7
157.08862	1.6
158.99641	0.7
160.07562	0.5
162.09160	0.5
164.07091	0.4
165.06996	3.0
166.07791	1.0
167.07310	7.4
167.08594	3.2
168.08090	20.0
169.06558	0.6
169.08902	3.9
170.06006	0.7
170.09663	8.7
172.07576	3.0
172.11218	0.4
177.06938	0.5
178.07832	1.7
179.07214	0.8
179.08580	2.1
180.08086	8.0
181.06499	0.6
181.08878	10.0
182.09665	7.3
183.06822	1.5
183.10413	2.5
184.07599	3.9
184.11218	13.1
185.08394	2.2
185.12006	5.3
186.09200	1.2
188.07149	0.4
188.10744	0.7
191.07321	1.1
192.08057	2.5
193.03221	1.2
193.08797	2.3
194.04485	0.5
194.07652	0.8
194.09666	16.1
195.08267	2.2
195.10425	3.9
196.07593	6.5
196.11218	14.4
197.08353	4.3
197.11946	0.6
198.09146	9.0
199.09915	2.1
200.07140	1.8
200.10712	18.5
202.08742	0.4
204.08127	2.1
205.06569	0.4
205.08827	1.5
206.09657	4.1
207.06787	1.0
207.10289	1.1
208.07573	2.1
208.09424	0.8
208.11267	0.5
209.08359	5.4
209.10281	1.2
210.09135	8.0
211.09935	7.1
212.07146	2.3
212.10712	30.5
213.07982	0.8
213.11493	9.5
214.08647	0.9
214.12215	0.5
215.09384	0.7
216.06577	1.4
217.00214	0.5
220.07614	0.5
221.08304	1.1
222.06978	0.9
222.09151	18.5
222.11038	1.1
223.09920	4.8
223.12282	1.3
224.07069	1.2
224.10707	31.0
224.12656	4.6
225.11409	2.8
226.08679	5.2
226.12219	5.0
227.12971	0.7
228.10272	0.8
228.13885	2.9
238.08705	4.8
238.12170	2.0
238.14359	0.6
239.07175	0.6
239.09389	3.9
240.06468	0.8
240.10196	22.8
241.10983	33.6
244.13330	1.9
250.08597	1.3
252.06502	0.7
253.11063	0.5
254.11775	28.4
256.13342	23.2
265.07175	0.5
266.08096	1.2
267.08972	0.8
268.09647	26.7
269.10458	9.5
270.16721	0.5
272.12817	7.7
282.11343	1.1
283.08154	4.8
285.09891	0.7
300.12317	100.0
301.12646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0917
Annotation	2'-METHOXYFORMONETIN
Peak:m/z	Relative Intensity
54.70592	0.2
55.05523	0.3
63.71070	0.2
65.43172	0.2
67.05495	0.3
68.99797	0.4
69.74261	0.8
69.74685	0.7
86.88220	0.2
91.05469	1.3
92.05814	0.5
98.20819	0.3
98.97591	0.5
101.86562	0.2
102.51518	0.2
105.06997	0.4
107.04964	2.3
110.68163	0.2
119.04925	0.4
121.06454	0.4
122.03638	0.3
123.04428	0.3
123.07095	0.3
125.06042	0.3
130.06546	0.3
131.04951	0.4
133.10132	0.3
134.03658	1.0
135.04427	1.2
135.17494	0.2
137.02303	0.3
137.05981	1.7
141.06934	0.3
147.04408	3.3
149.06003	1.2
150.03123	0.7
150.06320	0.8
151.03943	0.4
160.05206	0.9
161.05969	0.9
162.03172	0.6
165.01819	0.4
165.05490	0.8
166.07373	0.3
168.08810	0.3
173.06003	0.3
175.03934	0.3
175.06152	0.3
177.05486	3.2
179.08333	0.4
179.15160	0.3
180.08907	0.5
185.05933	0.5
188.06715	0.3
189.95465	0.3
191.08487	1.2
192.08914	2.9
194.09302	0.7
197.06001	0.6
207.10112	0.3
208.08377	0.4
208.11389	0.7
209.11562	3.1
211.07523	0.3
213.05501	0.9
214.06320	0.5
215.07031	0.4
219.08083	0.3
220.08459	2.2
221.10744	0.4
222.08850	0.4
223.12250	2.4
223.13806	0.2
224.04907	0.3
225.07281	0.3
227.06998	0.4
236.10683	0.7
237.05502	0.4
237.07729	0.6
237.11009	2.4
238.08223	1.7
239.07053	1.0
241.04950	0.5
250.09448	1.9
251.08977	1.1
252.09734	1.6
253.04944	0.7
255.06578	2.2
265.10574	1.6
266.05835	1.0
266.11810	2.2
267.06616	2.9
267.12109	25.1
268.03693	2.6
268.13333	0.5
269.04492	6.3
269.07922	0.8
270.08328	0.4
283.06027	35.7
284.06790	12.0
298.64700	1.8
299.09152	100.0
299.14175	9.3
300.09515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.7
69.03435	0.7
71.04990	1.1
71.11705	0.9
79.05501	1.7
80.05025	1.6
84.04475	1.0
84.08173	0.7
91.05486	1.9
92.04974	0.6
93.05798	8.9
93.54838	0.5
94.06562	1.0
95.04983	0.7
96.04483	1.6
98.97575	0.8
104.04997	1.2
106.05832	1.1
106.06560	16.1
108.08112	2.1
117.05741	1.3
118.06556	1.8
120.08141	1.2
122.06017	0.7
124.03969	1.2
130.06532	60.5
131.06110	0.6
131.07309	1.2
136.06197	2.5
136.07585	8.6
150.05530	3.3
154.06514	1.3
155.07274	0.7
156.08083	2.0
157.07675	0.7
164.07158	0.8
165.07013	0.8
167.07307	1.6
167.08594	0.8
168.06847	0.7
168.08115	2.7
171.09184	1.1
179.08672	0.9
180.08113	3.6
181.08897	3.7
182.08299	0.8
182.09731	1.2
183.09146	1.2
191.07306	2.9
192.08183	1.4
193.07423	3.7
193.08951	2.1
194.09706	16.9
194.11438	1.0
195.09038	2.8
196.09776	1.0
196.11266	2.0
197.10672	0.7
203.66165	0.8
204.08118	8.0
205.08894	2.2
206.08316	5.9
206.10057	7.7
207.09167	29.7
208.09964	19.9
209.10680	1.1
211.08693	0.9
215.08173	2.7
219.09207	2.9
220.09972	4.5
221.10747	66.8
222.09354	0.8
222.11504	28.0
223.12302	74.7
234.07840	1.7
237.10297	1.0
238.11040	1.7
239.11797	4.5
241.09567	1.0
247.08698	1.4
249.10251	26.0
252.08972	2.3
253.09731	0.8
253.10594	0.7
253.13290	5.9
254.10526	13.7
254.14215	0.9
255.11295	1.0
255.15019	2.9
265.09821	0.9
267.11295	82.1
268.12045	5.8
270.09995	2.5
276.07495	1.4
281.12842	5.0
285.12326	9.1
299.13907	100.0
300.14279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.144
Annotation	Coccolinine
Peak:m/z	Relative Intensity
55.01860	0.4
55.05514	0.4
56.96563	0.8
57.03447	0.3
58.06593	1.4
58.70303	0.3
59.05006	0.5
60.04540	0.3
60.80729	0.3
61.01155	4.7
69.03429	0.5
69.07088	0.4
69.60400	1.6
70.06598	1.7
72.04529	0.5
72.08166	1.0
72.62794	0.3
73.02938	0.5
75.02706	2.2
79.05493	0.6
80.05031	0.4
81.07063	0.5
82.06580	0.4
84.04507	0.5
84.08150	3.1
85.02909	0.6
85.06562	0.3
85.08484	0.3
86.09721	1.0
86.85919	0.3
87.04474	0.9
89.06022	0.7
90.06438	0.3
91.05482	9.1
92.05826	0.5
93.07072	0.4
94.04066	0.4
97.02896	1.3
98.20747	0.6
98.97598	1.0
105.07022	0.6
107.04961	0.7
109.06491	0.3
110.07137	0.4
110.97579	0.5
113.67937	0.3
117.07061	0.4
119.03573	0.4
119.04924	0.5
120.08110	1.3
121.06463	0.4
121.08445	0.8
124.03960	1.1
124.07552	0.3
125.87247	0.3
130.06523	0.3
131.04967	0.3
133.06490	0.5
133.08600	0.4
136.06192	100.0
137.02339	0.4
137.04739	0.4
137.05997	1.3
145.03195	1.3
146.06041	0.4
147.11133	0.2
148.07567	0.3
149.06030	0.9
150.05559	0.4
150.06725	0.5
151.07559	1.2
154.52628	0.4
163.04208	1.7
164.07054	0.9
165.07004	0.5
165.09135	2.4
168.06625	0.4
174.05548	0.3
175.06267	0.7
177.07864	0.4
179.08556	0.8
181.06653	0.3
181.08469	0.6
186.09117	0.8
187.24210	0.3
190.00278	0.8
191.08412	1.3
192.08244	0.3
192.10210	0.5
193.06450	0.3
193.08759	0.5
193.10847	0.4
194.09624	0.9
195.10458	0.7
199.09637	0.7
206.07611	0.3
206.09666	1.1
207.08052	0.8
208.01257	1.3
208.11342	2.3
212.10727	0.3
213.07784	1.3
214.08571	1.8
218.09557	0.3
218.53069	0.4
219.01732	0.5
219.08044	1.8
219.10164	0.4
221.11528	0.3
222.09143	7.8
222.11108	0.4
223.07684	0.7
223.09953	7.3
223.12274	0.9
224.10704	0.6
226.08646	1.9
226.10530	0.5
227.09399	0.5
229.10927	1.6
234.09189	1.8
235.07608	0.5
235.09767	0.6
236.06972	0.4
236.10675	3.9
237.02774	0.3
237.07718	1.7
238.08543	0.4
238.12132	0.4
239.13083	0.4
240.04041	0.4
240.10219	2.5
241.10887	0.4
242.11806	1.5
246.04372	0.8
248.10806	0.4
249.09091	1.0
249.11528	0.7
250.08664	4.4
251.09422	25.5
251.61432	0.6
252.10031	1.4
253.08517	1.0
254.07867	0.6
254.09467	0.2
254.11801	2.9
255.09010	0.8
255.12534	1.9
256.13245	0.9
264.10211	7.4
265.08362	0.3
265.10986	1.7
266.11774	60.8
267.13763	4.0
268.09512	0.4
268.13388	0.4
269.10544	0.4
269.14392	0.3
270.11566	2.1
270.14798	2.9
280.10138	0.3
280.13290	8.5
282.07602	5.7
282.11194	3.2
283.08353	3.3
283.11960	1.4
289.15051	1.7
289.65021	0.3
298.10571	13.8
298.14304	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	298.1438
Annotation	Erythraline
Peak:m/z	Relative Intensity
53.58399	0.2
56.12828	0.2
69.35856	0.8
69.36282	0.8
70.69283	0.2
91.05483	1.9
103.05445	0.2
106.06487	0.2
110.91036	0.2
115.05438	0.2
119.04913	0.6
130.06488	0.4
132.12799	0.2
136.08746	0.2
143.07257	0.2
145.05229	0.6
147.04440	0.3
149.05971	1.3
159.04395	0.4
165.07040	1.7
166.07751	0.5
167.07271	0.3
167.08565	0.3
174.05566	1.0
175.06313	1.4
178.06374	0.2
178.07817	1.1
179.07234	0.3
179.08563	2.3
180.07986	0.8
181.06502	0.2
187.06238	0.6
189.07014	0.9
189.50580	0.2
190.06378	0.2
190.07782	1.6
191.08566	10.0
192.07993	1.3
193.06635	1.0
193.08817	3.4
193.10228	0.3
194.07286	0.2
194.09653	0.3
200.06969	0.3
202.07726	0.5
203.08557	0.5
204.07928	0.2
205.06389	0.3
206.09645	2.5
207.08060	1.9
207.10446	0.5
208.07562	0.5
208.11220	12.7
211.06277	0.7
213.07840	0.7
217.08820	0.2
218.07254	0.4
218.09476	0.4
219.08054	7.9
220.07562	0.5
221.08192	1.1
222.09148	0.6
223.07472	0.8
223.09673	0.4
224.07030	1.5
226.01320	0.2
226.08621	0.9
227.09409	0.6
228.25151	0.2
229.07640	0.3
234.09070	1.1
235.09865	0.5
236.07228	1.2
236.10703	11.1
237.07819	7.2
237.10504	0.3
237.11267	0.3
238.08559	0.7
238.12236	0.2
249.09134	6.3
250.08609	3.5
251.09410	5.9
251.12079	0.2
261.56635	0.2
264.10193	6.6
265.10898	0.7
266.11752	100.0
267.12134	0.7
281.17206	0.2
298.14377	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	298.1437
Annotation	Erythraline
Peak:m/z	Relative Intensity
62.14603	0.1
69.94489	0.7
79.05479	0.3
91.05482	2.8
98.20799	0.2
103.05428	0.4
105.07012	0.3
106.06538	0.3
115.05404	0.3
117.05720	0.2
118.06513	0.1
119.04926	0.7
130.06543	0.7
131.04887	0.2
135.04427	0.2
137.05846	0.2
142.06523	0.2
143.04916	0.2
144.04463	0.2
144.08014	0.2
145.05243	0.7
147.04364	0.3
149.05968	1.7
152.06230	0.2
153.06964	0.2
155.81688	0.1
159.04295	0.2
165.07013	2.2
166.07748	0.5
167.07245	0.4
167.08568	0.4
168.08116	0.3
174.05522	1.0
175.04924	0.2
175.06290	1.6
178.06552	0.2
178.07838	1.2
179.07269	0.4
179.08586	2.9
180.08043	1.0
181.06482	0.3
181.10181	0.3
187.06242	0.8
189.06979	0.7
190.07767	2.2
191.08562	12.4
192.08014	1.4
193.06456	0.9
193.08842	4.5
194.07307	0.3
194.09555	0.3
196.07611	0.2
200.07100	0.3
201.06932	0.2
202.07726	0.4
203.08534	0.5
204.08051	0.2
205.06500	0.4
205.08792	0.2
206.05919	0.3
206.09634	2.5
207.06322	0.3
207.08060	2.1
207.10402	0.8
208.07573	0.7
208.11220	14.9
209.06143	0.1
209.08249	0.2
211.06268	0.7
213.07843	0.8
218.07281	0.4
218.09668	0.4
219.08057	8.0
219.10133	0.3
220.07599	0.7
221.08270	1.3
222.09048	0.4
223.07532	0.6
223.09782	0.3
224.07007	2.0
226.08603	0.9
227.09239	0.7
229.07622	0.5
231.08234	0.2
234.09142	1.7
235.09921	0.6
236.07196	1.7
236.10696	11.8
237.07814	7.3
238.08638	1.1
238.12309	0.2
248.07057	0.2
249.09145	6.3
250.08644	4.5
251.09406	7.0
264.10211	7.0
265.10974	0.8
266.11755	100.0
267.12073	0.4
293.09268	0.2
298.14380	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1697
Annotation	Mairetolide D
Peak:m/z	Relative Intensity
51.02366	1.8
51.05353	0.9
53.03949	27.2
55.01875	9.6
55.05307	0.9
55.05509	10.3
57.03437	27.7
57.07074	1.3
65.03922	3.7
67.05505	77.4
69.03436	2.3
69.07066	7.8
69.54964	2.2
69.55378	4.0
71.01340	1.7
71.04997	6.4
73.51971	1.1
79.05492	46.3
81.03419	78.7
81.07056	97.3
83.04984	12.0
83.08607	5.5
85.06540	6.1
87.04476	1.3
91.05484	32.6
93.03375	1.4
93.07043	66.1
95.01322	4.3
95.04974	26.2
95.08606	56.1
97.06525	7.2
98.21474	2.2
98.97608	2.4
99.08085	2.3
103.05435	2.2
105.04478	1.4
105.07030	22.1
107.04957	49.5
107.08598	19.3
107.23273	1.0
109.02915	1.9
109.06516	9.0
109.10149	3.2
111.04434	1.7
111.08059	7.4
113.06028	1.6
116.63811	1.0
116.98502	1.1
117.07013	25.2
119.04922	3.6
119.08601	7.1
119.66434	1.1
121.06501	16.6
121.10174	6.4
123.04417	6.7
123.08070	30.4
125.05928	1.1
128.06265	1.5
129.07024	2.1
131.04919	2.0
131.08577	19.3
133.06473	3.2
133.10150	11.0
135.08067	7.3
135.11694	37.0
137.05881	1.4
139.07483	1.2
141.06992	9.3
143.08511	3.9
144.09305	1.6
145.05400	1.7
145.06493	24.4
145.10126	6.8
147.11670	1.5
149.05890	1.2
149.09593	1.3
149.13257	22.4
152.16888	1.0
154.07797	3.7
155.06088	1.0
157.10135	1.7
159.08067	7.2
159.11694	35.9
163.11224	2.1
165.19955	1.1
169.10120	15.0
177.12750	34.7
180.57416	1.0
187.11180	40.0
189.66844	1.0
191.08582	2.5
193.08868	1.2
195.12187	1.9
195.13806	18.5
205.12212	13.0
208.11156	2.6
219.08110	1.5
221.10751	5.0
223.13283	31.5
236.10698	2.0
239.12149	1.0
241.11897	2.4
241.14354	39.3
244.13197	1.3
251.09467	1.5
264.10168	1.4
265.10403	3.2
266.11780	21.3
279.15918	34.2
297.16949	100.0
298.14322	6.8
298.17343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Methylthioadenosine
Peak:m/z	Relative Intensity
56.40227	0.2
61.00845	0.3
61.01152	4.4
62.86767	0.2
69.03399	0.3
69.33272	1.3
69.33680	0.4
74.60110	0.2
75.02702	2.1
76.97664	0.2
77.86113	0.2
83.77694	0.2
84.05785	0.2
91.75491	0.2
97.02909	1.3
103.02180	0.2
109.51912	0.2
114.87140	0.2
119.03560	0.8
136.06187	100.0
137.04588	0.3
145.03207	1.0
151.82451	0.2
163.04230	1.3
171.88612	0.2
195.10490	0.4
222.09122	2.9
223.09932	2.5
234.09190	0.6
250.08649	1.6
251.09418	11.9
264.10205	0.4
266.11765	20.0
270.11288	0.3
280.13422	0.7
298.09872	5.2
298.14398	4.4
298.17545	0.4
313.10892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1698
Annotation	Mairetolide D
Peak:m/z	Relative Intensity
51.02372	2.1
52.97662	1.4
53.03707	3.0
53.03949	37.2
55.01883	12.4
55.05508	11.9
56.83103	1.4
57.03441	31.9
57.81076	1.5
65.03934	4.2
67.05508	81.0
67.06730	1.5
69.03426	3.1
69.07075	8.1
69.68065	6.8
69.68468	2.8
71.04978	5.5
79.05059	3.1
79.05498	44.9
79.05966	2.9
81.03423	71.4
81.07062	95.5
83.04987	15.7
83.08624	6.0
83.88201	1.9
85.06536	7.0
88.90794	1.6
91.05485	35.9
93.07047	60.7
95.01357	4.0
95.04971	27.8
95.08611	52.3
97.06532	6.0
98.20744	2.9
98.97601	2.1
99.08104	3.8
103.05468	3.2
105.07036	21.5
107.04959	47.5
107.08601	19.2
109.06501	9.3
109.10165	3.9
111.08060	9.1
115.05504	1.8
117.07018	23.3
119.04933	3.6
119.08576	7.7
121.05946	1.4
121.06541	15.0
121.10177	7.9
123.04438	4.8
123.08064	29.7
125.96278	2.0
129.07039	3.5
131.04926	3.6
131.08572	23.2
133.06439	4.1
133.10133	10.3
135.08063	5.0
135.11694	40.4
141.06984	11.0
143.08589	5.2
145.06494	24.5
145.10136	8.7
149.09575	2.6
149.13258	25.2
151.88715	1.6
154.07782	2.9
159.08066	5.9
159.11699	38.7
163.11217	2.8
169.10135	15.4
177.12764	37.0
187.11188	43.0
195.13828	20.8
205.12277	10.8
223.13304	45.7
233.15646	2.2
241.14352	33.9
266.11877	10.7
279.15961	37.4
297.16980	100.0
298.14465	3.7
298.17532	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	297.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	1.1
61.17881	0.3
65.03938	0.4
70.44109	0.9
84.04504	19.7
85.02879	0.5
85.61589	0.3
86.45309	0.3
91.05481	13.6
95.04973	3.7
102.05505	0.6
119.04944	15.6
120.59047	0.3
123.08055	0.7
130.05009	7.0
136.05188	2.2
137.05988	0.9
137.30745	0.3
151.07542	100.0
152.07927	0.3
162.95195	0.3
168.10202	12.1
169.93263	0.3
234.11264	4.3
251.13910	1.7
280.11798	12.5
297.14468	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	297.1699
Annotation	Benesudon
Peak:m/z	Relative Intensity
53.03952	26.9
53.48780	1.9
53.59368	1.9
55.01883	10.1
55.05511	10.6
56.07961	2.0
56.96569	4.5
57.03442	17.9
65.03927	6.0
67.05506	73.1
69.03447	2.2
69.07076	10.7
70.55730	2.4
70.56057	4.0
71.04978	4.9
79.05079	2.2
79.05498	41.8
81.03424	63.4
81.07064	95.1
83.04993	19.0
83.08612	7.9
85.06539	5.3
91.05486	33.5
93.06473	3.5
93.07045	51.7
95.01302	2.6
95.04968	22.4
95.08607	49.3
97.06516	8.6
97.10123	2.6
98.97581	5.7
99.08073	2.8
103.05481	3.2
105.07039	19.1
107.04293	3.7
107.04961	45.9
107.08596	19.6
109.06510	10.4
109.10127	7.4
111.08089	6.8
115.05418	2.7
116.98615	4.0
117.07014	20.9
119.04926	6.3
119.08572	8.6
121.06536	14.3
121.10137	6.7
123.04413	7.4
123.08067	33.6
129.06987	4.7
131.04913	4.5
131.08603	19.5
133.06525	3.7
133.10158	12.7
135.08107	5.1
135.11703	31.2
137.05966	5.6
141.06949	9.0
143.08517	4.5
145.06479	20.3
145.10103	9.8
147.11700	4.4
149.05963	4.0
149.13295	18.3
158.99615	2.8
159.08037	7.1
159.11696	30.9
163.07549	2.8
169.10109	14.3
174.01810	2.7
177.12741	33.2
187.11205	35.9
191.08511	7.3
193.08847	3.6
195.13826	14.6
205.12268	11.3
208.11182	7.1
219.07951	5.9
221.10645	15.8
223.13281	27.2
229.07205	2.3
236.10640	8.8
237.07805	3.3
241.14372	39.6
243.49623	2.9
249.09126	2.7
250.08379	3.7
251.09280	5.2
264.10150	8.0
265.10419	8.7
266.11777	69.6
274.97202	2.9
279.15933	54.4
285.09967	2.2
287.53745	2.0
297.07605	13.2
297.13345	8.2
297.16928	100.0
298.14438	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2011
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
51.02377	0.3
53.03957	1.9
55.01881	0.4
70.02422	0.9
77.03934	0.6
79.05493	0.3
79.87523	0.2
80.10817	0.2
91.04895	0.3
91.05483	9.7
93.07045	17.4
95.04972	2.1
98.20792	0.3
103.05471	11.7
105.04527	0.9
118.06539	3.4
121.06506	100.0
122.06866	0.4
132.08110	1.0
133.08893	0.9
134.09686	0.2
146.09587	1.2
154.09363	0.2
176.14349	67.9
177.14693	0.3
184.36983	0.2
258.55515	0.2
264.10184	0.5
296.20096	97.1
297.20514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.076
Annotation	3'-Methoxy-4',5'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.05502	0.4
66.59150	0.3
67.05508	0.4
69.96062	1.1
91.05476	0.4
91.59935	0.3
95.96272	0.3
98.97576	0.4
135.04416	0.7
139.05420	0.5
142.36665	0.3
151.24164	0.3
152.06226	0.4
153.06944	0.3
167.04913	0.6
169.06538	0.5
170.07359	0.4
180.05672	0.5
181.06483	0.7
182.07288	5.0
183.04459	1.8
195.04489	1.2
195.08083	0.4
198.06761	6.8
209.05991	0.4
210.06763	11.6
211.03912	1.7
211.07463	0.4
213.09126	1.1
221.10803	1.5
223.03934	1.1
225.05699	0.4
225.09117	10.4
226.06255	18.9
238.06247	4.7
238.13161	0.3
239.03322	1.0
241.08606	24.1
242.05750	2.2
251.03441	0.5
253.08615	2.8
254.05766	3.8
264.10266	0.7
265.10376	0.5
266.05795	1.2
266.11780	1.2
269.08093	29.4
282.05215	4.4
297.07584	100.0
298.07947	0.5
298.14688	0.3
308.81381	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1282
Annotation	Japonine
Peak:m/z	Relative Intensity
55.75718	0.2
67.59017	0.2
71.06306	0.3
71.06650	0.3
82.69501	0.2
90.44950	0.2
135.04388	0.2
165.06985	0.4
178.07790	0.5
179.08525	0.8
180.07915	0.2
189.06995	0.6
191.07239	0.7
193.08894	0.3
204.08080	0.9
205.07146	0.2
205.08821	1.4
206.09666	12.7
207.10287	0.2
208.11243	0.5
217.06404	0.2
217.08932	0.5
220.07545	0.5
221.08308	0.5
222.06766	0.5
222.09027	0.4
233.08344	0.5
234.09163	6.0
235.07738	0.2
235.09895	1.0
236.10750	0.9
238.08629	0.8
247.07542	0.9
248.07079	0.6
249.07866	4.4
250.08569	0.3
252.10255	0.4
262.08694	0.8
263.09473	3.8
264.10208	100.0
265.10590	1.2
281.10190	0.2
296.12836	12.9
296.48056	0.2
297.13220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1283
Annotation	Japonine
Peak:m/z	Relative Intensity
56.78308	0.3
61.09509	0.3
66.07983	0.3
69.33728	0.7
69.34135	2.3
71.96951	0.4
91.05489	2.8
93.07064	0.3
95.08608	0.4
98.21519	0.8
103.05462	0.4
114.03405	0.4
115.31451	0.5
128.04974	9.2
156.04448	13.3
161.05965	0.4
165.07047	0.8
172.03925	1.1
174.05487	0.5
174.97357	0.4
178.07770	1.1
179.08539	3.3
180.08037	0.4
186.05519	11.6
189.06998	22.9
190.04991	0.9
191.07249	3.2
193.06598	0.4
204.08064	2.1
205.06566	0.4
205.08881	2.3
206.09653	11.0
207.08041	1.2
208.11232	0.7
209.09619	0.4
210.09227	0.7
217.06514	19.9
217.08557	0.7
219.06578	0.7
220.07620	1.0
222.06638	0.5
224.07071	0.7
225.08031	0.5
233.08345	1.2
234.09137	5.7
235.06082	0.7
237.09129	0.5
238.08717	2.7
247.07550	12.7
248.07076	12.3
249.07840	5.8
262.08624	7.7
262.11185	0.7
263.09314	1.2
264.10205	100.0
265.10648	2.2
296.09528	0.7
296.12796	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	296.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01862	2.4
56.96574	5.1
57.03429	2.0
60.04501	0.8
61.02916	3.5
65.03931	0.8
67.75492	0.7
69.03437	6.5
69.63064	0.7
70.06583	3.6
71.55732	1.3
73.02920	2.2
75.31746	0.8
80.65388	0.7
81.03412	3.1
81.04484	0.7
84.04504	1.5
84.08142	3.9
85.02429	1.2
85.02908	17.4
86.09701	1.5
87.04453	1.6
88.11268	7.0
91.03963	1.3
91.05485	12.4
95.04966	3.0
97.02901	7.4
98.97582	14.0
99.04447	1.4
107.04945	0.9
109.02890	2.1
110.97552	2.2
112.07584	1.6
116.98608	4.9
117.06995	1.4
119.04960	10.5
120.08105	2.4
121.06498	2.8
121.08445	2.3
127.03922	4.1
128.98584	2.7
130.04967	1.0
130.06491	1.0
130.08670	1.8
131.04919	1.0
134.05977	0.8
134.08102	0.9
134.99634	1.4
136.05219	1.4
136.07541	1.4
137.05986	8.5
143.03397	1.1
143.04976	1.0
145.04980	1.9
145.06477	2.0
146.99617	1.3
148.07610	1.0
149.06010	1.0
150.07762	0.9
151.07553	52.6
155.04742	3.1
158.06030	1.2
158.99672	4.9
160.05148	1.0
160.07504	0.8
161.05968	2.1
162.05482	1.0
164.07085	4.5
170.99686	1.1
172.07608	0.9
173.06015	4.1
174.09062	0.8
175.07590	3.2
176.07062	2.1
177.00697	3.9
177.07892	2.2
178.08676	1.6
183.04411	0.9
186.04419	1.0
187.07538	3.6
188.07024	1.9
189.07797	3.2
190.08658	2.3
192.06595	2.9
193.07310	0.8
194.08159	1.0
200.07051	2.9
201.05499	3.3
203.07053	3.6
204.10190	2.9
205.08731	1.1
206.08142	2.9
208.09738	3.6
211.02855	0.8
215.07025	1.0
217.07344	34.0
218.08009	1.0
219.01779	3.5
227.06833	1.5
232.09711	80.6
233.08066	6.1
233.10126	1.3
237.02745	5.2
238.08710	0.9
246.11279	0.9
250.10770	77.3
261.07590	1.7
264.10132	2.1
264.12390	2.9
278.10248	14.5
279.08746	3.1
291.07370	4.0
296.11288	100.0
309.08527	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03952	2.0
55.05505	14.9
57.07060	2.9
67.05505	38.6
69.07067	13.2
70.81434	5.7
71.04994	3.2
71.08282	3.4
71.08635	39.4
79.05499	37.2
81.03413	6.6
81.07064	37.8
83.04984	6.6
83.08614	6.5
85.06538	2.9
87.26276	1.9
91.05478	17.6
93.07047	46.6
95.04953	5.7
95.08049	2.7
95.08614	28.0
97.06525	8.2
97.10151	2.5
99.08096	36.1
105.07021	12.8
107.04941	6.9
107.08591	23.5
109.10157	10.0
111.08051	2.5
119.08595	9.2
121.10148	23.9
123.08022	3.3
131.08542	4.6
133.10124	9.4
135.11699	36.3
137.09615	3.8
139.11211	2.8
145.10072	3.0
149.13239	9.6
151.11163	11.4
153.12653	2.7
159.11679	6.0
161.13251	7.5
163.11191	5.1
177.12685	2.6
179.14305	100.0
195.13744	4.0
221.15376	2.6
235.16942	4.0
241.19405	3.4
277.21613	45.1
295.22604	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	295.2271
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03953	11.8
55.01865	5.8
55.05519	20.6
56.95722	1.4
57.07060	5.8
58.56448	1.5
64.20847	1.3
65.98409	1.1
67.05508	44.2
69.07072	33.2
69.83091	6.3
71.08618	3.5
78.67126	1.1
79.05061	2.1
79.05500	34.1
81.03426	58.2
81.07063	42.7
83.04985	16.2
83.08638	8.1
85.06535	2.4
85.10172	3.2
91.05486	16.3
92.70726	1.2
93.06470	2.0
93.07053	33.1
95.04984	32.6
95.08613	18.1
97.06536	2.7
97.10150	5.0
99.08083	3.8
105.07037	16.9
107.08601	19.8
109.06541	7.9
109.10175	14.4
111.08046	2.1
113.09580	1.6
117.07014	2.8
119.08575	9.6
120.79799	1.2
121.10153	8.1
123.08059	2.0
123.11724	7.0
125.09647	6.2
126.26818	1.3
129.07028	2.5
131.08572	4.3
133.10139	17.3
134.65518	1.2
135.08040	3.5
135.11697	6.1
137.09607	2.4
137.13191	2.3
143.08652	1.4
145.10127	2.7
147.08101	1.9
147.11708	11.4
149.13269	5.4
151.11195	48.3
152.20598	1.3
153.09105	3.2
157.10139	3.1
161.09659	1.4
161.13321	11.5
163.14833	3.5
164.47351	1.2
165.09091	1.6
165.12761	10.5
171.10258	2.0
171.11696	5.2
175.11174	1.9
175.14832	3.3
177.12732	1.8
179.10692	1.4
179.14362	6.3
185.13246	2.0
189.12776	2.9
193.12335	2.7
207.13776	3.7
209.60318	1.3
217.19432	1.9
231.21086	10.9
241.19608	6.0
249.22156	5.5
259.20557	9.3
277.21643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03949	4.6
55.01877	20.0
55.05515	41.7
56.96565	7.8
57.03438	5.5
57.07076	9.5
59.24186	1.7
59.42036	1.9
65.03940	1.9
67.05511	61.3
69.03429	3.4
69.07069	25.8
70.06792	7.7
71.04995	6.3
71.08633	39.0
79.05500	38.3
79.84413	2.2
81.03421	13.0
81.07069	56.3
83.04996	12.7
83.08627	22.5
85.06541	3.5
85.10181	7.1
91.05486	31.8
93.07051	43.6
95.04988	12.1
95.08613	35.5
97.06546	15.2
97.10185	16.7
97.99794	2.0
98.97570	2.9
99.08104	32.0
104.10756	2.9
105.07040	26.3
107.04965	4.8
107.08611	27.1
109.06535	7.1
109.10177	21.7
111.08070	22.1
113.09628	10.3
117.07040	7.4
119.08581	18.6
121.10157	22.8
123.08074	6.5
123.11713	4.8
125.09618	14.1
125.13543	2.1
129.07005	2.9
131.08574	7.3
133.10132	17.0
135.08072	3.5
135.11700	14.1
137.06020	3.5
137.09618	4.8
138.52954	3.6
139.11185	5.6
143.08578	3.9
145.10117	5.1
147.11700	16.8
149.02338	13.9
149.09564	4.0
149.13261	12.0
151.11197	29.5
157.10085	4.2
158.99718	2.6
159.11717	4.0
161.13277	16.3
163.11206	13.3
163.14870	2.9
165.12791	14.7
171.11681	4.7
173.13292	3.9
175.11198	3.1
175.14824	3.7
177.40189	2.4
179.14323	11.1
181.12315	2.8
185.13217	3.8
189.11258	8.2
193.15977	3.2
207.13776	3.2
221.15263	2.3
231.21095	5.1
241.19443	9.9
242.11678	4.7
249.22069	3.3
253.59340	2.2
254.11456	9.6
259.20642	11.7
260.12506	4.1
263.08957	2.4
264.10226	2.6
272.12552	9.3
277.21649	100.0
295.06070	9.2
295.19321	2.8
295.22684	48.8
300.16412	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	295.2269
Annotation	13-HOTE
Peak:m/z	Relative Intensity
53.03941	7.6
55.01671	2.2
55.01876	25.9
55.05265	3.6
55.05514	52.5
57.03422	6.7
57.07065	9.5
65.03936	2.7
66.37014	2.4
67.05506	69.0
69.03413	6.5
69.06728	2.8
69.07073	35.5
71.04968	3.3
71.08634	37.5
73.96333	2.8
79.05496	44.8
81.03419	9.5
81.07061	77.8
83.04984	21.6
83.08620	35.9
85.06539	5.1
85.10171	4.5
90.29216	2.5
91.05076	2.6
91.05493	31.4
93.07042	51.9
95.04981	16.0
95.08612	34.5
97.06546	11.5
97.10172	20.2
99.08102	31.0
105.07040	29.5
107.04981	4.7
107.08607	34.7
109.06507	8.3
109.10152	18.2
111.08096	27.7
113.09631	7.0
117.07015	6.7
119.08584	16.8
121.06483	4.0
121.10163	19.7
123.08044	5.7
123.11699	7.5
125.09631	18.8
129.06955	4.5
131.08578	10.7
133.10138	21.2
135.08028	2.9
135.11710	21.0
137.09615	3.9
137.13264	4.3
139.07510	3.3
139.11165	10.3
143.08566	6.0
145.10104	6.5
145.40356	2.9
147.11694	17.3
149.09579	7.2
149.13312	14.9
151.11179	29.6
153.12770	3.5
157.10121	6.0
159.11703	7.1
161.13290	16.1
163.11237	11.7
163.14915	2.8
165.12778	12.6
171.11691	4.5
173.13162	4.8
175.11224	5.9
175.14854	4.8
177.12662	3.3
179.14238	14.6
181.12207	3.7
185.13202	5.0
189.11163	15.3
193.12292	3.7
195.13797	8.7
199.14928	3.4
207.13882	2.8
229.79491	3.0
231.21097	4.2
241.19507	8.4
249.22121	4.5
259.20541	11.7
277.21637	100.0
295.22681	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03936	7.2
55.01880	8.7
55.05514	41.5
57.03440	4.1
57.07066	6.7
60.08159	3.9
67.05509	74.6
69.03423	7.0
69.07068	25.2
70.10318	8.7
70.10712	4.0
71.05001	4.4
71.08280	5.2
71.08637	61.6
79.05498	42.7
81.03425	19.1
81.07067	59.0
83.04986	16.9
83.08617	23.7
85.06541	4.8
86.09706	13.2
91.05486	26.8
93.07055	50.6
95.04962	12.5
95.08616	29.9
97.06525	8.5
97.10169	24.9
99.08099	49.6
105.07034	27.1
107.04939	5.6
107.08588	35.6
109.06519	9.6
109.10157	22.5
111.08091	6.5
113.09651	3.8
117.07040	10.1
119.08603	24.0
121.06516	4.3
121.10161	18.7
123.08080	11.1
123.11716	3.8
125.00013	9.2
125.09660	25.9
129.07004	5.8
131.08578	8.1
133.10143	17.5
135.08029	4.3
135.11717	19.4
141.12756	3.0
143.08556	3.8
145.10120	7.5
147.11699	16.8
149.13281	9.2
151.11197	46.5
157.10223	4.2
159.11691	4.1
161.13269	21.7
163.11186	20.1
163.14821	4.5
165.12717	4.3
171.11639	5.1
173.13213	5.8
175.14859	6.6
177.12785	5.0
179.14345	18.0
181.12321	2.9
182.20302	2.8
184.07336	36.6
185.13292	6.5
189.11238	19.3
189.12683	5.5
199.14737	4.3
203.30261	2.9
236.48633	3.1
241.19540	9.3
259.20612	11.7
277.21643	100.0
295.05927	3.6
295.22751	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03932	7.0
54.49510	2.8
55.01858	6.1
55.05272	3.0
55.05513	45.8
57.03430	6.1
57.07062	7.6
67.05507	83.9
69.03428	3.4
69.07071	27.6
69.86755	12.0
71.04989	3.3
71.07359	2.4
71.08238	2.7
71.08631	52.2
78.15626	2.6
79.05497	53.1
79.83343	2.5
81.03414	20.9
81.07062	67.9
83.04993	15.6
83.08622	26.9
85.02908	2.9
85.06538	4.2
91.05489	36.0
93.07048	49.6
93.36657	2.8
95.04979	21.8
95.08614	43.5
97.06520	9.9
97.10168	30.5
99.08099	55.4
104.10722	5.1
105.07042	24.0
107.04948	4.7
107.08597	36.3
109.06536	6.7
109.10172	22.5
111.08070	8.1
113.09604	3.7
117.07019	6.9
119.08611	16.1
121.06527	4.9
121.10149	22.9
123.08060	6.5
123.11698	5.9
125.09637	27.3
129.07021	4.0
131.08549	7.5
133.06477	8.0
133.10132	19.2
135.08078	5.3
135.11722	23.5
137.09648	4.0
139.07516	2.9
143.08621	2.5
145.10101	6.5
147.11688	13.5
149.13249	11.8
151.11185	44.5
159.11664	7.5
161.09647	3.8
161.13263	20.9
163.11157	10.6
163.14799	4.9
165.12759	7.8
167.10757	4.0
168.65601	2.5
171.11668	5.4
173.11801	3.4
173.13254	4.2
175.14845	5.5
177.12671	3.2
179.10635	2.9
179.14380	21.8
184.07367	6.5
185.13184	4.3
189.11244	20.6
189.12769	4.7
207.13814	3.2
221.15407	4.7
231.20811	3.0
235.17061	2.8
241.19560	8.1
259.20621	15.4
277.21643	100.0
295.06046	6.6
295.11847	3.5
295.22675	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	295.227
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
53.03945	5.7
53.32507	2.1
55.01874	36.1
55.05264	3.5
55.05515	56.4
56.96566	4.6
57.03437	5.3
57.07079	9.5
59.04998	4.8
62.01926	1.6
65.03944	2.2
67.05508	82.1
67.37149	1.6
69.03421	5.6
69.07076	29.0
69.62062	1.9
71.04989	8.0
71.08636	24.7
73.06551	2.2
79.05497	47.3
81.03419	7.3
81.07061	82.3
83.04985	18.3
83.08624	36.9
85.06557	5.9
85.10201	5.3
91.05484	38.6
93.07050	60.5
93.55157	1.8
93.80112	2.1
95.04970	14.1
95.08614	50.3
97.02885	2.4
97.06541	11.9
97.10162	21.3
99.04467	1.9
99.08106	18.7
104.34423	1.7
105.07039	30.3
107.04963	3.5
107.08604	34.0
108.50695	2.2
109.06533	8.0
109.10165	19.8
111.08086	40.3
113.09652	5.4
117.07024	7.9
119.08599	26.5
121.02804	2.3
121.06515	2.6
121.10137	22.3
123.08073	7.9
123.11714	6.8
125.09636	19.3
128.05028	3.0
129.07010	3.6
131.08539	9.5
133.10141	30.2
135.08096	3.9
135.11681	22.6
137.09628	6.4
137.13318	2.8
139.11180	13.5
143.08556	3.7
145.10150	5.8
147.08134	2.6
147.11700	15.1
149.09642	7.2
149.13281	19.0
151.03917	4.8
151.11185	22.8
151.14864	2.0
153.12752	4.1
156.04478	4.2
157.10156	7.8
159.11734	7.8
161.13239	13.5
163.11237	5.9
163.14809	4.8
165.12787	16.6
167.14381	2.7
171.11670	4.0
173.13274	3.0
174.07085	1.9
175.11209	4.6
175.14862	5.9
177.12819	5.2
179.14334	8.3
181.12216	2.3
185.13280	4.0
186.05524	5.6
188.15897	2.0
189.07013	7.0
189.11270	10.2
193.12163	4.5
195.13895	10.6
199.14868	2.9
205.08757	2.4
206.09657	4.2
207.13846	4.1
212.05811	1.9
217.06540	5.2
221.15440	4.7
231.21062	5.1
235.16937	2.3
236.07124	3.2
237.07893	3.2
241.19633	4.8
243.01840	3.1
247.07596	5.1
248.07112	4.9
249.22125	6.7
259.20590	13.5
262.08682	7.7
263.09079	12.5
264.10205	68.2
265.10931	3.8
277.21646	100.0
280.09750	6.5
295.06122	7.6
295.11884	18.0
295.22714	66.4
296.12842	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	294.2066
Annotation	NONIVAMIDE
Peak:m/z	Relative Intensity
53.79743	0.2
55.01884	0.5
55.05502	0.5
57.03431	0.3
57.07066	0.5
64.25131	0.2
65.03932	0.3
66.04707	0.3
67.05499	1.4
69.03442	0.2
69.07066	0.4
69.21227	2.4
71.04971	0.2
71.08593	0.3
76.56602	0.2
79.05490	1.6
80.05817	0.5
81.07054	2.6
82.07406	0.4
85.02903	0.3
91.05482	0.9
92.05809	0.4
93.07051	0.6
94.04198	1.5
95.08598	0.6
97.06536	0.3
97.10200	0.4
98.06850	0.3
100.92567	0.2
105.07040	0.5
106.07349	0.4
107.04951	0.4
107.08601	0.9
108.05305	0.2
108.08924	0.8
109.06519	0.4
109.10204	0.5
110.10529	0.4
113.70136	0.2
114.09170	0.3
119.08582	0.3
120.08944	0.5
122.02744	0.3
122.03654	5.8
123.11713	1.7
133.10114	0.4
134.10484	0.8
137.05984	100.0
138.06369	0.3
141.45271	0.2
146.10477	0.3
151.11182	0.3
152.11530	0.6
158.15414	1.2
170.15422	2.5
182.26021	0.2
240.18149	0.3
276.20392	2.7
294.07910	0.2
294.11243	0.5
294.21106	1.3
307.95605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1653
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
55.01862	0.5
55.05508	0.4
56.05013	0.2
56.96561	0.6
58.06597	0.3
65.03928	0.5
67.05517	0.3
69.03416	0.6
69.07058	0.7
69.60291	1.3
70.02964	0.2
70.06583	1.3
71.05000	0.2
72.08150	0.7
72.62585	0.2
73.02920	0.4
74.02429	0.5
76.05440	0.2
77.03984	0.2
79.05489	0.5
81.03411	0.7
81.07053	0.5
83.04984	0.2
84.04508	2.2
84.08134	0.7
85.02909	2.5
86.09704	5.3
88.03996	0.6
91.05483	20.6
93.07034	0.5
94.06580	0.5
95.08578	0.2
97.02895	0.8
98.21505	0.3
98.97581	1.1
103.05428	0.2
105.07030	0.4
107.04945	2.6
107.08580	0.2
109.02895	0.8
109.06490	0.3
116.03389	0.2
116.98631	0.3
117.06995	0.3
118.06535	1.0
119.04948	15.8
120.04459	0.6
120.08101	0.6
121.02874	0.6
121.06512	3.2
124.03969	0.6
127.03912	0.4
129.10185	0.3
130.04984	1.2
130.08646	0.9
132.10223	2.1
136.07581	100.0
137.05975	0.5
143.00215	0.3
145.04945	0.6
146.06026	0.8
147.04425	0.7
148.03931	1.3
149.05968	0.8
150.07777	0.5
151.03915	0.5
158.99626	0.3
161.10759	0.4
162.05536	0.4
163.03973	0.3
163.06134	0.2
166.08636	0.6
168.28772	0.3
173.13176	0.3
177.01884	0.3
195.02927	0.6
201.07542	0.3
205.10658	0.3
217.10562	0.3
219.01799	0.3
219.12094	0.4
223.12242	0.4
245.10211	0.4
249.13133	0.6
249.16000	1.9
250.14423	1.0
263.11176	0.7
278.10730	0.4
278.13739	1.7
295.05844	2.9
295.13574	4.0
295.16644	8.0
297.58060	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1701
Annotation	CHEBI:66481
Peak:m/z	Relative Intensity
53.00916	0.5
55.01777	0.7
55.05414	0.8
55.05652	0.8
57.03313	1.4
57.03599	1.3
61.02820	0.9
67.05379	0.7
69.03291	5.5
69.03706	1.7
69.06934	4.1
69.07353	1.3
69.94555	2.6
70.06483	0.6
79.05361	2.2
81.06960	1.0
86.09589	0.5
87.07987	1.3
87.08450	0.6
91.05350	2.5
93.06951	0.6
94.02834	0.6
95.04820	0.8
97.02819	0.5
97.06384	19.0
97.07056	2.0
98.21430	0.8
98.97507	0.7
99.19635	0.5
103.05299	0.8
105.06925	0.9
117.05635	0.8
117.06873	2.4
118.06379	1.6
119.04783	2.2
120.07988	1.4
121.02764	0.6
121.06390	1.7
129.08977	1.5
131.04797	1.5
132.08008	0.5
133.05174	1.2
133.06345	1.4
136.07481	1.1
137.05980	10.3
144.05679	0.6
144.07991	0.6
145.06488	16.2
145.10049	0.9
146.06032	4.2
147.04413	10.4
147.06772	4.0
148.07442	2.5
149.05971	3.1
159.04428	2.8
159.07932	1.6
160.07498	0.9
161.05862	0.8
161.08244	1.4
161.09573	1.5
162.09106	3.0
162.12572	0.7
163.06244	1.0
163.07442	3.4
164.07079	3.4
166.08481	0.8
167.07095	0.7
171.07936	1.5
172.05107	0.6
172.11185	1.1
173.09650	5.5
174.09067	1.0
175.07484	1.0
176.01016	0.6
176.07077	21.0
178.06261	0.7
178.08641	3.2
186.06723	0.5
187.11226	0.7
189.07693	1.0
189.09125	11.1
190.12206	2.3
200.10669	0.8
201.09126	9.1
202.07097	0.5
202.67415	0.5
204.08096	8.8
205.08824	0.8
206.09651	0.9
207.10175	1.3
207.98705	0.7
208.09689	2.3
215.10638	2.2
218.11757	73.0
227.11009	0.6
231.10147	1.6
232.07564	3.3
233.08350	1.4
233.11743	5.2
234.15105	0.6
235.09441	0.8
236.07086	1.1
244.13382	1.9
247.12993	0.5
248.12968	1.8
250.08676	2.4
251.09375	0.9
251.13060	0.6
259.13278	1.2
261.07892	4.1
262.08633	50.0
262.14362	18.3
263.09024	1.0
264.06705	0.7
265.14474	1.5
274.50595	0.5
276.15961	19.8
277.10925	0.6
277.14313	0.7
278.08185	1.3
279.09009	1.6
294.05753	2.1
294.11423	35.0
294.16977	100.0
295.06094	1.2
295.11539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03933	3.4
55.01873	4.2
55.05515	24.2
56.96554	2.4
57.03428	2.2
57.07086	7.6
59.05000	1.4
65.03927	2.2
67.05511	46.3
69.03429	1.3
69.07074	37.4
69.23012	1.8
69.23416	9.4
71.04993	3.3
71.08625	3.7
71.95272	1.1
79.05057	1.7
79.05498	23.3
80.05836	1.1
81.03414	1.8
81.07063	100.0
83.04990	5.3
83.08621	18.3
84.05332	1.5
85.02903	1.4
85.06547	5.7
91.05489	16.1
92.05790	1.5
92.78096	1.1
93.07050	21.4
95.04971	5.3
95.08614	85.4
97.06548	7.3
97.10171	12.7
98.21543	1.7
98.97577	6.0
99.08100	2.2
105.07037	14.4
107.04944	4.4
107.08604	24.4
109.06509	6.6
109.10164	57.0
111.08074	2.2
111.11739	5.8
113.09647	2.3
116.98638	2.6
117.07010	4.7
119.05002	1.6
119.08601	9.5
120.05231	1.0
121.06548	1.7
121.10152	13.7
123.08048	3.6
123.11716	26.6
125.09605	4.0
125.13245	1.9
129.07033	1.4
131.08572	6.0
133.10150	9.5
135.08084	1.6
135.11691	7.5
137.05969	9.4
137.09680	2.6
137.13252	11.9
138.06322	5.4
139.11177	7.2
140.11514	4.8
143.08575	1.2
145.10152	7.4
147.11694	7.0
149.09656	5.2
149.13264	9.8
151.11154	1.6
151.14821	6.1
157.10110	1.4
158.99620	1.3
159.11685	3.3
161.13245	1.7
163.11223	2.7
163.14835	4.9
165.16364	3.2
171.11787	2.0
173.13306	2.1
177.12778	1.3
177.16408	2.7
187.11172	1.7
187.14767	1.1
189.11214	2.0
191.17957	1.5
193.19464	1.3
201.16370	1.2
205.15868	1.4
205.19582	1.1
207.13850	1.3
211.60010	1.7
219.21263	1.3
239.18001	1.6
247.20709	1.9
257.15265	1.7
257.18948	5.7
275.20093	37.6
275.27319	4.5
276.16797	12.8
293.08203	1.2
293.12933	1.5
293.21466	12.8
293.24716	3.3
293.28256	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	3.1
55.01871	8.2
55.05515	16.9
57.03443	1.5
57.07058	2.0
65.03922	2.4
67.05174	1.9
67.05508	27.8
69.03426	2.5
69.06727	1.3
69.07073	17.3
70.35352	1.0
71.04996	2.6
71.28665	1.9
79.05496	29.1
81.03410	5.1
81.07061	53.9
83.04967	5.8
83.08627	12.3
85.06544	2.5
91.05484	23.9
93.07049	25.4
95.04979	10.0
95.08611	23.5
97.06535	15.7
97.10178	8.4
98.97554	1.3
99.08128	1.4
104.04971	1.2
105.06318	1.2
105.07030	29.2
107.04958	8.0
107.08598	30.5
109.06522	12.9
109.10159	12.8
109.46189	1.1
111.08068	2.8
117.07008	7.9
119.06084	1.1
119.08583	18.3
121.06502	2.9
121.10148	12.5
123.08083	5.4
123.11699	4.9
125.09633	5.0
128.31493	1.1
129.06985	2.5
131.08563	9.3
133.06468	1.4
133.09137	1.4
133.10133	18.1
135.08035	4.0
135.11676	6.5
137.09625	4.6
141.06979	1.5
143.08551	2.6
145.06465	1.7
145.10107	11.3
147.08051	1.8
147.11713	12.8
149.09633	13.3
149.13220	3.7
151.11226	6.6
155.08496	1.3
157.10066	2.6
159.11717	9.6
161.09602	1.5
161.13303	5.9
163.11174	10.2
165.09105	3.6
165.12735	2.3
169.10123	2.0
171.11667	3.3
173.09528	1.4
173.13278	6.5
175.11194	3.0
175.14784	1.0
177.12759	3.5
179.14372	1.6
181.12146	1.0
182.91895	1.0
183.11751	1.7
185.13048	1.1
187.11267	1.5
187.14844	1.7
189.11285	5.4
189.12732	1.6
189.30806	1.1
191.14262	1.9
193.12138	1.5
195.11635	1.1
197.13216	2.2
205.12155	1.4
213.16438	1.3
215.14336	1.5
223.13217	1.4
229.19531	3.6
239.17987	7.2
247.20621	7.1
257.18997	12.1
271.36923	1.2
275.20068	100.0
293.21127	27.0
293.28204	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03948	5.8
55.01876	15.4
55.05264	3.7
55.05514	61.1
56.18367	1.7
57.03439	5.5
62.04366	1.9
62.67278	1.9
65.03944	1.8
67.05170	3.5
67.05510	53.3
69.03425	2.3
69.07079	14.7
71.04988	4.8
71.07741	2.9
71.08095	2.7
77.03932	2.2
79.05498	97.9
81.03407	3.9
81.07060	41.5
83.04993	24.7
83.08626	18.0
83.80698	1.8
83.84200	2.0
85.06542	3.4
91.05479	32.7
93.07055	42.9
95.04978	8.8
95.08607	17.2
97.06555	13.3
97.09605	3.6
97.10172	28.3
103.05473	2.6
105.07035	33.9
105.49285	1.8
107.04960	44.7
107.08607	66.7
109.06535	4.1
109.10179	22.2
111.08081	4.1
112.02628	1.8
117.07050	13.4
119.08588	25.1
121.06461	2.7
121.10161	18.4
123.08074	2.8
123.11712	6.9
125.09641	25.4
131.08609	12.8
133.10143	23.1
135.08076	9.4
135.11671	6.1
137.09645	2.0
139.74220	1.8
141.07039	2.0
145.10120	10.9
147.11691	17.3
149.09628	85.6
149.13251	3.1
153.09154	4.6
159.11703	8.9
161.13283	6.3
163.11246	3.1
163.14845	2.5
167.10719	4.5
169.10114	2.1
169.12286	5.5
171.10240	4.8
171.11638	2.8
173.11800	4.7
173.13281	7.8
177.12759	2.1
178.15541	2.4
187.13278	3.8
189.11217	16.5
191.14363	3.1
197.13293	2.1
205.12347	1.9
205.16144	2.0
209.15283	9.0
229.19493	7.5
239.17975	4.1
247.20599	6.3
256.75360	2.3
257.18988	22.3
275.20081	100.0
293.21045	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.02344	0.9
53.03883	3.1
55.01805	9.5
55.05445	16.6
55.05745	1.9
56.96534	0.6
57.03375	2.2
57.03621	0.6
57.07025	1.7
58.40723	0.6
59.04959	1.1
65.03872	2.3
67.05434	37.1
67.05823	3.1
67.65280	0.6
69.03350	2.5
69.06997	20.6
69.07407	1.7
69.28603	6.1
71.04922	3.0
72.89068	0.6
79.05499	32.6
79.05909	2.0
81.03427	7.7
81.07060	63.1
81.07745	2.0
83.04974	5.0
83.08621	14.1
85.02847	1.2
85.06456	3.3
91.05485	26.2
91.06004	1.1
92.05730	0.8
93.07049	28.5
95.04980	10.7
95.08613	32.4
95.09171	1.2
97.06530	11.5
97.10170	7.8
98.97507	2.9
99.08036	1.6
105.07038	31.0
107.04966	9.8
107.08601	31.3
109.06522	15.5
109.10169	15.9
111.04372	1.0
111.08085	3.1
116.98555	1.1
117.07017	10.1
119.08585	23.5
121.06504	5.0
121.10149	15.5
123.08092	8.2
123.11719	7.9
125.09632	7.1
129.06921	2.6
129.07809	0.7
131.08585	13.0
133.06464	1.4
133.10143	21.1
135.08073	4.9
135.10858	0.7
135.11691	8.3
137.05914	2.5
137.09642	5.8
137.13187	2.1
138.06294	1.2
139.11179	3.6
140.11533	1.3
141.06973	0.8
143.08487	2.9
143.29025	0.6
145.06387	1.3
145.10127	12.6
147.08006	2.8
147.11697	15.8
149.09627	14.3
149.13269	4.9
151.11192	7.0
153.09079	1.2
153.12701	0.7
155.08481	1.8
157.10124	3.7
159.08054	1.1
159.11703	9.3
161.09598	2.2
161.13231	5.9
163.11191	9.9
163.14719	1.0
165.09100	4.2
165.12703	2.6
167.10725	0.7
169.10037	2.4
171.11618	2.7
173.09595	1.4
173.13293	6.8
175.11127	2.5
175.14795	1.1
177.12726	4.2
177.16472	0.9
179.10619	0.7
179.14313	1.3
181.12120	0.6
183.11642	1.9
185.13162	1.2
187.11177	2.1
187.14767	2.1
189.11214	3.6
189.12682	1.1
191.10629	1.3
191.14185	1.2
193.12277	1.9
195.13657	0.8
197.13190	2.3
199.14781	0.8
201.12769	1.2
201.16266	0.8
203.14363	0.8
205.12074	0.7
205.15900	0.6
207.13724	0.8
213.16422	1.8
215.14247	0.8
215.17854	1.5
219.13889	1.1
219.17505	0.8
219.21010	1.2
223.13277	1.6
229.19518	5.3
233.15375	1.1
233.18964	1.8
239.17924	7.2
247.04393	0.7
247.20595	5.5
257.19000	13.8
259.59885	0.7
265.21658	2.2
275.20074	100.0
276.16724	3.9
276.19839	0.9
293.21133	38.2
293.28012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03946	1.0
55.01873	3.0
55.05265	0.7
55.05513	10.1
57.03432	1.4
57.07069	2.0
65.03936	0.8
65.35234	0.5
67.05510	21.0
69.03425	1.3
69.06730	1.1
69.07077	17.2
69.80388	2.4
69.80796	1.3
71.04988	1.7
72.38716	0.6
77.03966	0.6
78.83738	0.7
79.05502	14.2
81.03414	0.9
81.07063	26.5
83.04986	6.7
83.08643	4.3
85.06534	1.1
91.05485	16.0
93.06477	1.1
93.07051	20.5
95.04980	7.0
95.08614	17.1
97.06524	3.0
97.10172	2.7
105.07040	19.0
107.04974	5.6
107.08607	11.4
109.06522	7.5
109.10168	7.7
111.08106	0.8
117.07019	5.6
119.08590	10.1
121.06525	7.3
121.10154	6.7
123.08097	4.3
123.11693	2.9
123.50699	0.6
125.09630	1.4
129.06984	1.8
131.08582	11.7
133.06485	1.6
133.10141	15.6
135.08067	3.5
135.11723	4.9
137.09636	2.3
137.13208	0.9
141.63966	0.7
143.08557	1.7
145.06487	1.3
145.10133	11.1
147.08037	2.4
147.11697	9.5
149.09612	4.1
149.13242	2.0
151.11200	6.1
155.08519	1.0
157.10097	2.7
159.08054	1.6
159.11751	5.9
161.09601	3.0
161.13245	2.6
163.11148	4.3
163.14816	0.7
165.12781	1.2
169.10197	1.6
171.11685	2.1
173.09637	2.2
173.13266	4.8
175.11191	2.3
175.14709	0.8
177.12717	1.6
183.11722	2.2
185.13330	0.7
187.11192	2.3
187.14832	0.9
189.12737	1.0
191.14319	1.9
197.13268	1.6
199.14967	0.7
201.12730	2.8
203.14296	0.6
205.19519	0.8
207.13841	3.3
215.14323	1.2
215.17949	0.9
219.13805	5.2
229.19534	2.3
231.17491	1.1
233.15317	1.2
233.18913	0.8
235.17000	0.6
237.14893	0.7
239.17996	3.3
247.20538	2.6
257.19046	13.3
262.08646	1.1
265.69681	0.6
275.20081	100.0
276.20407	1.9
293.21133	33.7
301.17310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03946	24.7
55.01867	13.4
55.05512	25.6
57.03436	3.4
65.03925	4.3
67.05511	55.0
69.03423	4.9
69.07074	47.4
70.85461	6.0
79.05492	35.9
81.03426	55.4
81.07063	79.4
83.04982	12.2
83.08636	9.2
91.05490	63.8
93.07053	42.2
95.01341	10.1
95.04972	18.2
95.08611	46.6
95.71906	2.8
97.06542	20.3
105.04498	3.6
105.07036	100.0
107.04974	30.8
107.08602	21.3
109.06550	7.6
109.10165	11.4
111.08069	5.4
117.07006	15.1
119.08588	53.9
121.06513	11.4
121.10151	11.0
123.08053	16.1
125.09671	7.6
131.08569	28.5
133.10143	69.6
135.08090	9.7
135.11739	15.9
137.09718	3.1
141.07022	7.3
143.08571	5.9
145.06482	10.0
145.10138	27.8
147.11711	22.0
149.09605	6.3
149.13263	7.6
157.10085	6.8
159.11700	23.9
160.48793	3.9
161.13271	7.9
163.11151	4.4
169.10173	8.1
171.11702	3.3
173.13257	3.3
177.12737	9.1
179.14348	16.0
187.11220	13.9
195.13754	7.6
205.12248	4.2
207.13788	3.9
223.13280	6.2
257.19034	11.0
275.20081	91.6
293.21161	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	3.6
55.01883	10.6
55.05517	19.0
57.03433	2.7
57.07071	1.7
59.04997	1.4
65.03925	2.1
67.05513	35.8
69.03431	1.9
69.07071	16.4
70.15205	5.1
71.04996	3.2
79.05500	34.8
81.03437	7.9
81.07062	100.0
83.04977	4.6
83.08623	13.0
85.06507	1.6
85.92862	1.5
91.05485	21.8
93.07053	22.5
93.70460	1.2
95.04987	13.9
95.08617	20.7
96.83632	1.3
97.06538	11.1
97.10162	4.4
98.20836	2.0
98.97583	2.2
99.08073	1.6
105.07034	23.0
107.04945	9.5
107.08608	18.0
109.06527	38.8
109.10168	8.4
111.08096	3.7
117.07017	7.8
119.08593	17.8
121.06499	5.7
121.10158	11.6
123.08068	8.0
123.11710	4.9
125.09634	3.6
125.69626	1.4
129.07008	2.1
131.08556	12.4
133.06519	2.5
133.10150	15.9
135.08041	4.4
135.11702	8.4
136.29179	1.3
137.09639	4.6
144.17630	1.5
145.06503	2.7
145.10095	11.4
147.11699	11.4
149.09628	9.4
149.13280	6.9
151.11201	3.5
155.08545	1.9
157.10126	3.3
159.11693	6.0
161.09576	1.7
161.13260	3.8
163.11195	8.9
165.12761	4.1
171.11658	2.0
173.13277	3.9
175.11206	4.7
175.14859	1.6
177.12756	2.9
179.14279	1.3
185.13222	1.8
187.11191	1.9
189.12767	2.5
192.63600	1.3
193.12218	4.5
197.13336	2.0
223.13332	1.8
229.19618	4.3
239.17990	4.1
247.20534	5.2
257.19012	8.9
266.81921	1.5
275.20071	66.7
293.21100	43.3
293.24283	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	5.3
55.01868	6.7
55.05519	24.5
57.03436	2.8
57.07067	2.8
58.34672	1.1
67.05510	43.7
67.28387	1.2
67.37521	1.4
69.03418	2.4
69.07076	19.4
71.04988	4.6
71.25397	3.0
77.48189	1.2
79.05498	48.9
79.84962	1.1
81.03422	6.4
81.07061	100.0
83.04998	6.1
83.08624	12.8
85.06564	2.0
91.05491	36.5
91.06078	2.1
93.07047	30.1
95.04974	17.2
95.08612	30.4
97.06532	10.5
97.10178	6.1
99.08067	2.1
105.07037	40.0
107.04974	9.2
107.08599	31.1
109.06533	28.8
109.10162	14.2
111.08109	7.2
117.07021	8.8
119.08585	36.5
121.06490	6.1
121.10153	18.7
123.08078	14.7
123.11707	7.0
125.09635	4.6
127.07516	1.4
129.07004	3.5
131.08588	13.1
131.34477	1.2
133.10132	23.8
135.08063	6.3
135.11702	8.4
137.05986	2.5
137.09671	8.5
137.10536	1.9
143.08539	3.1
145.10133	15.7
147.07986	2.0
147.11687	22.2
149.09636	11.5
149.13249	4.3
151.11182	3.9
151.92516	1.5
153.12813	1.8
155.08556	1.8
157.10162	3.4
159.11722	9.4
161.09596	3.2
161.13310	4.0
163.11177	7.4
163.14803	1.9
165.12759	3.5
169.10178	2.7
171.11676	3.8
173.09583	1.9
173.13286	4.6
175.11206	3.4
177.12775	3.8
181.12369	1.4
183.11642	2.3
183.37993	1.3
185.13208	1.5
187.11177	2.0
187.14880	2.5
189.11214	3.2
189.16318	1.7
191.14304	1.6
193.12263	2.7
197.13245	2.9
201.12791	1.8
205.15901	1.5
211.14946	1.6
229.19530	4.0
239.17946	5.1
247.20557	5.3
251.77525	1.4
257.19070	12.0
275.20071	85.2
293.21118	38.7
313.98080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.90961	1.3
53.03943	3.6
55.01883	7.1
55.02116	1.5
55.05518	24.2
57.03435	3.4
62.02145	1.4
63.84550	1.2
65.03939	2.2
67.05508	50.1
69.03434	3.6
69.07074	18.2
69.45141	11.7
71.05005	4.3
74.14107	1.6
79.05062	3.1
79.05501	41.5
81.03428	5.4
81.07060	100.0
83.04971	7.2
83.08630	11.7
85.06543	3.8
91.05487	36.6
93.07050	35.3
95.04981	13.7
95.08612	30.4
95.33047	1.6
97.06526	5.8
97.10178	4.7
98.20783	3.5
105.07042	44.5
107.04955	5.9
107.08606	27.5
109.06522	23.7
109.10156	25.4
109.48650	1.5
111.08098	5.4
117.07034	10.1
119.08585	40.7
121.06511	5.8
121.10150	14.7
123.08061	7.6
123.11720	7.0
125.09649	4.3
126.04834	1.5
127.07552	1.8
127.44705	1.4
129.07016	2.5
131.08575	16.2
133.10133	39.6
135.08061	11.2
135.11714	8.5
137.09624	7.5
137.13368	1.5
139.11169	1.9
143.08557	2.6
145.10132	16.3
147.08046	2.0
147.11682	15.1
149.09647	9.7
149.13269	4.5
151.11211	14.3
155.08572	2.3
157.10144	2.7
159.11661	9.7
161.09735	2.0
161.13268	4.2
163.11188	6.5
165.09160	1.8
165.12770	2.9
169.10101	2.4
171.11671	3.1
173.13277	7.5
175.11203	3.7
177.12825	1.9
179.10663	1.9
183.11711	3.8
185.13255	2.3
193.12262	3.1
197.13205	2.3
201.12823	2.4
221.15440	1.7
229.19594	3.7
239.17982	5.7
247.20711	7.9
257.18967	11.8
275.20078	93.9
293.21115	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	4.4
55.01620	2.1
55.01875	19.3
55.05266	1.6
55.05515	29.5
57.03438	2.2
57.07067	2.4
57.68570	1.3
65.03949	2.2
67.05506	36.3
69.03440	2.8
69.07069	20.9
70.91777	1.6
70.92108	2.3
71.04993	5.5
79.05497	48.8
81.03412	7.1
81.06580	2.2
81.07057	33.1
83.04986	7.5
83.08623	15.4
85.02910	7.1
85.06526	2.6
91.05482	32.2
91.06013	2.6
93.07047	29.8
95.04962	8.8
95.08611	22.9
97.06538	22.4
97.10169	20.1
105.07039	34.3
107.04960	9.3
107.08599	84.3
109.06528	6.0
109.10164	13.0
111.04413	2.7
111.08078	3.0
117.07018	7.7
119.06071	2.2
119.08581	22.7
121.06518	4.4
121.10155	10.7
123.08084	5.5
123.11687	3.8
125.09630	16.2
129.05501	2.0
129.06984	2.6
131.08574	11.8
133.10139	23.6
135.08060	5.6
135.11635	6.7
137.05939	1.3
137.09624	4.9
143.08562	2.0
145.10120	15.3
147.06525	1.3
147.11697	15.8
149.09653	12.9
149.13298	1.6
151.11185	4.1
153.05630	1.4
153.09174	1.8
155.10600	1.3
157.10117	2.7
159.11720	8.0
161.09579	1.6
161.13260	4.4
163.11198	6.4
165.09157	3.0
169.10197	2.6
171.10333	2.1
171.11713	3.4
173.13266	6.9
175.11244	1.8
177.12750	3.4
181.12248	3.0
183.11697	1.9
185.13316	1.4
187.11224	3.0
189.11223	15.6
189.12733	1.7
197.13295	1.6
215.18126	1.4
223.13310	1.5
229.19479	4.1
239.17975	6.7
247.20648	4.4
257.19012	10.8
275.20074	100.0
293.21115	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03944	3.9
55.01876	22.4
55.05510	21.1
57.03430	5.8
63.33918	1.2
64.48691	1.1
67.05509	25.2
69.03431	1.9
69.07068	15.9
71.04976	2.1
71.20978	2.1
71.21344	2.2
79.05498	37.6
81.03407	6.7
81.07058	32.4
83.04984	3.5
83.08620	10.5
85.06539	2.6
85.94434	1.3
91.05479	30.8
93.07043	30.0
95.04966	6.8
95.08051	1.8
95.08617	20.9
97.06535	28.7
97.10177	11.9
103.05509	1.5
105.06390	2.3
105.07043	34.4
107.04984	6.4
107.08598	64.6
108.48230	1.2
109.06509	6.1
109.10162	8.0
111.08092	2.4
117.07007	7.1
119.08590	21.0
121.06470	2.9
121.10150	12.7
123.08073	6.2
123.11697	2.7
123.47644	1.3
125.09623	11.4
129.06998	2.5
131.08568	11.8
133.10156	18.2
135.08023	3.9
135.11742	6.9
137.09604	2.7
143.08546	3.0
145.10153	12.2
147.11694	13.0
149.09641	14.4
149.13200	2.4
151.11192	5.2
153.08986	1.4
155.08430	1.4
157.10132	3.1
159.11690	10.5
161.09628	2.1
161.13240	6.1
163.11200	5.7
165.09122	5.0
169.10110	3.2
171.11668	2.2
173.13303	5.0
175.11229	3.1
175.14838	1.8
176.60983	1.2
177.12718	2.2
179.14265	1.7
181.12247	1.5
183.11671	3.3
185.13297	6.4
187.11212	3.6
189.11208	10.3
189.12646	1.7
197.13208	1.8
203.14359	3.1
219.17509	9.4
219.19267	1.5
221.15359	5.2
229.19516	5.1
233.11763	1.9
239.17947	6.5
247.20573	4.4
257.19028	16.6
275.20068	100.0
293.21152	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.27420	1.3
53.03943	3.2
55.01870	5.3
55.05258	2.3
55.05514	25.0
56.96550	2.4
57.03438	5.5
57.07088	2.6
65.03937	2.0
67.05508	27.5
69.03436	1.8
69.07066	10.5
69.97890	5.9
71.05003	2.9
71.08643	1.6
72.61116	1.3
77.03902	1.6
79.05497	43.4
81.03418	2.3
81.07064	30.1
83.04986	3.8
83.08621	11.3
85.06551	4.3
91.05489	32.3
93.07054	29.9
95.04984	16.2
95.08612	21.4
97.06548	5.6
97.10175	13.9
98.97584	4.2
99.08089	2.7
103.05460	1.7
105.07041	41.1
107.04953	4.1
107.08603	98.1
109.06498	8.6
109.10163	8.2
111.08120	3.2
113.06033	1.3
116.98582	1.9
117.07018	7.2
119.06013	1.6
119.08593	21.4
121.06502	3.8
121.10135	11.1
123.08064	3.6
123.11731	5.1
125.09613	11.4
129.06989	5.4
131.00182	2.4
131.08591	10.0
133.10139	20.9
135.08078	3.0
135.11662	6.3
137.09610	2.7
139.11162	1.6
141.07021	1.7
143.08559	5.1
145.10159	15.5
147.11693	17.5
149.09622	9.9
149.13318	2.8
151.11179	1.6
151.14861	1.3
153.09099	2.2
157.10136	3.3
159.11696	12.8
161.13260	6.4
163.11165	8.2
163.25226	1.3
169.10161	2.4
171.10204	1.4
171.11658	3.1
173.13313	3.8
175.14806	2.9
177.12752	1.7
180.07278	2.4
181.12256	2.2
185.13245	8.0
187.11285	2.1
189.11148	10.1
197.13326	2.7
201.16386	1.5
203.14302	8.9
205.12312	1.8
219.17471	6.2
221.15355	12.9
223.13348	4.0
229.19594	3.5
239.17992	7.2
244.09717	3.6
247.20409	2.4
257.19031	15.0
275.20078	100.0
293.13348	1.6
293.21152	33.2
293.24350	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03950	13.0
55.01873	6.6
55.05270	1.1
55.05516	15.7
57.03445	1.7
57.07071	1.4
64.83406	0.9
65.03941	1.8
67.05507	31.8
69.03455	1.3
69.07069	41.3
70.80751	3.5
71.05000	2.7
71.11301	1.0
79.05065	1.8
79.05497	30.3
81.03420	34.5
81.07061	35.2
83.04990	7.2
83.08643	8.1
85.02867	1.2
85.06539	1.4
91.05482	24.3
93.07053	22.5
93.39486	1.0
95.01333	5.1
95.04984	12.4
95.08057	1.9
95.08617	23.3
97.06528	9.3
97.10177	7.5
99.08091	2.5
103.05475	1.2
105.07037	26.2
107.04962	17.1
107.08599	37.7
108.85075	1.0
109.06515	3.4
109.10169	7.0
111.04447	1.0
111.08084	2.8
117.07021	8.7
119.08575	16.5
121.06489	2.8
121.10153	5.9
123.04434	1.6
123.08076	8.3
123.11743	2.3
125.09612	7.0
129.06995	1.4
131.08577	11.5
133.06496	1.9
133.09227	1.8
133.10138	19.1
135.08041	4.4
135.11693	8.4
137.09627	1.3
139.07516	1.4
141.06995	1.8
143.08516	1.4
145.06500	4.6
145.10132	11.9
147.11655	9.8
149.09610	9.5
149.13258	2.7
151.11172	4.2
157.10155	2.8
159.11720	8.5
161.13266	4.1
163.11172	4.3
169.10188	3.0
171.10301	1.4
171.11656	1.7
173.13269	2.3
177.12773	4.6
179.14330	14.7
183.11665	1.8
187.11212	3.2
189.11235	5.9
189.12671	1.3
193.69800	0.9
205.12199	2.1
213.73994	1.1
229.19672	1.5
232.43483	1.1
239.18018	1.7
249.27747	1.1
257.19028	7.2
275.20074	68.4
293.21121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	2.0
55.01880	4.7
55.05266	1.2
55.05514	19.3
56.96564	5.0
57.03439	6.2
57.07070	1.1
62.84263	0.8
65.03923	2.0
67.05180	1.5
67.05508	19.6
69.03410	2.0
69.06731	0.8
69.07072	10.8
69.32141	6.8
71.04996	1.8
79.05497	42.3
81.03419	1.4
81.07057	26.2
83.04969	3.5
83.08624	11.0
85.02911	1.2
85.06522	3.3
88.99094	0.8
91.05480	31.8
93.07050	30.3
95.04971	5.0
95.08611	16.9
97.02893	1.3
97.06537	4.3
97.10167	11.6
98.20731	1.5
98.97599	4.4
99.04435	0.9
99.08086	1.3
105.07035	37.8
107.04951	1.7
107.08598	95.7
109.06518	5.7
109.10152	6.1
111.08078	2.9
112.99097	1.0
116.98608	1.8
117.07018	6.7
119.06100	1.8
119.08595	19.6
121.06509	2.6
121.10151	9.4
123.08089	3.0
123.11671	1.9
125.09653	11.1
129.07014	3.8
131.00185	4.3
131.08568	10.6
133.10133	17.8
135.08028	2.3
135.11707	3.7
137.09598	1.4
139.07536	0.8
143.08549	3.5
145.10135	14.3
147.08081	0.9
147.11691	12.6
149.01227	5.3
149.09631	7.3
149.13289	1.4
151.11211	1.5
153.09068	1.0
155.08575	1.4
156.03558	1.1
157.10089	4.0
158.99710	1.3
159.11702	10.0
161.09601	1.4
161.13260	7.6
163.11189	3.6
167.02245	0.8
169.10092	1.5
171.06752	1.5
171.10251	0.9
171.11668	2.4
171.20674	0.8
173.13242	4.1
175.11136	1.3
175.14801	1.7
177.00630	1.3
180.07338	2.3
181.12271	1.7
182.91862	0.7
183.11679	2.4
185.13252	9.9
189.11240	11.4
189.12759	1.4
197.13281	1.2
201.12720	0.9
201.16360	2.3
203.14349	7.7
209.15334	1.0
211.14859	0.9
212.10634	1.1
219.17433	6.6
221.15341	11.8
229.19502	2.3
237.08818	2.8
239.17961	6.7
244.09648	14.3
244.59804	1.4
247.20746	0.8
252.09389	6.5
252.25125	0.9
257.19016	17.6
270.10709	0.9
275.20068	100.0
284.12637	1.0
285.09979	0.9
290.30777	1.0
293.05414	0.9
293.13284	3.0
293.21115	10.5
311.30304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.60881	1.4
53.03941	3.5
55.01626	1.7
55.01875	23.2
55.05511	24.4
57.03430	1.8
57.07073	5.4
67.05170	2.5
67.05504	32.1
67.18565	1.4
69.03430	1.8
69.07070	18.5
69.90263	1.8
69.90566	7.4
71.04998	3.3
79.05498	41.0
81.03419	5.9
81.07057	29.0
83.04972	5.8
83.08613	12.2
91.05490	29.3
93.07042	24.0
94.72868	1.5
95.04971	11.3
95.08620	20.6
97.06541	28.8
97.10174	19.6
105.07030	34.2
105.49316	1.6
107.04986	8.5
107.08601	77.6
109.06518	5.2
109.10143	11.9
111.04436	2.7
111.08094	2.2
117.07014	9.3
119.08586	19.0
121.06496	2.3
121.10154	11.0
123.08083	6.3
123.11734	2.7
125.09615	14.7
129.07031	1.9
130.96495	1.4
131.08548	10.7
133.10144	19.4
135.08049	4.1
135.11722	4.7
137.06004	5.0
137.09616	4.3
139.11243	2.4
143.08624	2.0
145.10123	13.8
147.11684	13.0
149.09637	15.6
149.13301	2.9
151.11211	4.8
155.08601	1.6
157.10167	2.0
159.11653	9.8
161.09660	3.2
161.13245	3.7
162.88568	1.6
163.11205	5.4
165.09105	3.9
169.10138	3.0
173.13304	5.2
175.14871	1.8
177.12762	3.3
181.04973	1.9
181.12224	3.9
183.11652	2.0
187.11252	3.0
189.11189	11.2
189.12694	2.1
191.10672	2.9
195.10300	1.7
195.13834	2.0
197.13330	3.0
201.12843	1.9
209.11760	4.7
211.14790	2.8
229.19614	2.8
237.11217	7.2
239.17908	4.6
247.20605	3.9
257.18939	13.7
264.60437	1.7
275.20065	100.0
293.18326	3.0
293.21146	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	293.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01876	8.5
55.02146	0.5
55.05516	25.9
58.99586	6.0
61.01160	0.9
67.05514	0.8
69.88695	0.3
70.06607	1.2
70.33754	0.9
72.04543	2.3
72.08168	0.9
73.01133	0.9
73.02927	1.0
76.02248	2.2
81.07068	1.7
82.42587	0.4
83.08627	19.7
84.04513	1.6
84.08166	0.6
86.09715	0.7
86.99067	5.2
88.02224	2.0
90.05553	2.6
95.08617	0.4
98.97632	0.6
104.01701	18.7
107.08573	0.7
110.07188	0.4
114.10307	0.5
116.01688	33.8
126.05521	0.7
129.07349	0.9
130.03258	0.5
130.04939	0.4
141.42206	0.4
144.06543	1.8
145.02869	0.4
158.02730	100.0
159.08424	7.2
163.03914	3.1
176.03786	75.2
193.06483	0.5
222.18701	0.5
247.14502	0.9
251.98889	0.4
255.06668	0.4
258.11621	1.4
270.45459	0.4
275.13898	1.0
276.12683	37.9
281.98059	0.5
287.38943	0.4
293.15283	9.2
302.74890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01863	0.9
55.05503	0.8
56.96561	0.8
60.05651	1.8
64.54092	0.3
67.05494	0.9
69.03416	0.6
69.07052	0.6
69.89320	1.6
70.06582	1.5
72.08157	9.8
73.04051	0.4
74.84659	0.3
79.05486	0.5
81.07033	1.0
84.04504	2.1
84.08143	0.8
85.02882	0.5
86.09720	2.5
89.03896	1.9
89.10776	1.0
91.05479	0.6
95.08560	0.6
97.07664	1.6
98.06048	0.7
98.97602	0.5
107.04945	1.2
110.06038	0.4
112.03971	0.5
114.10295	18.8
115.08697	3.9
115.78174	0.4
116.03436	0.6
117.03388	5.0
120.08065	0.5
123.04410	0.4
129.10233	0.5
130.04991	0.9
131.12953	1.8
135.04420	10.8
137.05933	0.8
143.11841	0.4
145.02849	10.9
147.04427	0.7
159.34949	0.4
163.03909	100.0
172.09683	1.9
187.11011	0.4
190.04893	0.4
190.08910	0.7
233.12866	6.4
234.11279	6.2
251.13901	0.6
275.19952	0.4
276.13416	9.0
293.16092	68.7
294.16577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	1.9
55.01870	8.8
55.05273	1.9
55.05512	22.3
55.54221	1.6
56.09030	1.4
56.96558	4.2
57.03430	1.7
61.00917	1.3
64.63093	1.4
67.05174	1.9
67.05506	27.7
67.61433	1.7
69.03430	2.8
69.06730	1.4
69.07077	16.9
70.13795	6.6
70.56388	1.5
71.05001	2.3
79.05062	2.8
79.05496	43.7
81.03379	1.8
81.07061	31.7
83.04971	6.6
83.08620	14.6
85.02908	1.9
85.06523	5.0
90.66128	1.2
91.05481	32.1
92.06126	1.4
93.07040	27.7
94.38547	1.5
95.04962	7.5
95.08601	24.1
97.06536	10.4
97.10184	17.5
98.97559	2.0
105.07036	36.2
107.04955	3.4
107.08600	87.7
109.06523	10.3
109.10152	9.6
111.04436	1.7
111.08070	1.9
117.07027	7.2
119.06025	1.8
119.08585	17.3
121.06494	3.4
121.10147	9.5
123.08070	2.1
123.11693	3.4
125.09624	12.7
129.06949	3.3
131.08583	12.2
133.10127	19.5
135.08037	5.4
135.11664	6.4
137.09613	3.5
143.08521	2.1
143.10593	1.8
145.10115	13.7
147.11693	13.7
149.09633	11.5
149.13290	2.2
151.11209	3.3
155.08568	1.8
157.10132	3.4
159.11732	8.3
159.35397	1.5
161.13220	5.7
163.11218	4.9
165.09102	1.5
165.12730	1.6
169.10120	1.6
171.11740	2.7
173.11819	2.1
173.13217	5.3
175.14813	2.5
181.12308	3.1
183.11697	2.1
185.13263	4.7
187.11203	2.4
189.11189	11.6
197.13132	2.1
203.14297	5.3
215.17943	1.8
219.17369	4.3
221.15388	5.9
229.07437	3.7
229.19580	3.0
239.17966	6.6
247.20493	3.9
257.18936	12.5
270.10999	3.7
275.20071	100.0
293.21106	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
70.23679	7.2
86.49471	2.0
98.21423	3.4
118.98209	2.3
125.82042	2.2
143.01955	3.2
161.02921	3.6
161.99536	7.3
171.76015	2.6
203.04118	3.1
252.91243	2.3
293.03027	4.9
293.06354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.153
Annotation	Elisabatin B
Peak:m/z	Relative Intensity
53.03965	0.8
53.19439	0.4
55.01873	8.3
55.05515	28.2
58.99579	5.0
59.21072	0.4
61.01164	0.8
69.96040	1.4
69.96733	0.4
70.06608	0.6
72.04527	2.6
72.28911	0.4
73.01144	1.0
73.02912	1.1
76.02230	3.0
81.07050	1.0
83.08625	22.5
86.99049	5.3
88.02207	2.4
88.92259	0.5
90.05544	2.8
104.01696	16.7
110.65260	0.4
116.01685	33.9
121.02860	0.7
126.05511	0.9
129.07417	0.6
141.07318	0.7
144.06567	1.8
158.02722	100.0
159.02934	0.5
159.08395	7.7
163.03918	0.9
176.03777	79.5
193.06439	0.6
258.11566	1.2
276.12659	35.8
293.15305	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	292.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91423	1.0
55.01873	2.6
56.05033	2.1
56.96548	2.4
70.06591	2.2
70.31859	2.3
70.32250	1.4
72.08149	3.2
73.02910	4.4
82.06593	0.9
82.22621	0.8
84.04500	1.4
84.08141	1.9
85.02885	1.1
91.05460	3.4
92.82408	0.9
94.41579	0.8
94.73309	0.9
98.97591	4.6
106.06560	1.1
110.97604	1.4
112.11258	2.4
115.05484	1.4
117.05801	1.2
118.06583	1.1
119.04945	2.4
128.06207	4.4
128.98607	0.9
129.07018	4.6
130.06540	5.1
132.08115	1.3
133.08838	1.3
141.06976	6.4
142.06551	1.3
142.07768	1.2
143.07433	1.8
143.08562	11.5
144.08131	2.2
147.04416	15.4
152.06117	1.9
153.06955	3.6
154.06531	7.9
154.07791	2.6
155.07320	23.2
155.08554	3.7
156.08110	10.9
157.08900	1.8
157.10144	1.1
158.09641	4.6
158.99654	1.4
160.07596	1.8
165.07005	2.6
166.07748	2.1
167.07298	4.5
167.08577	9.1
168.08089	22.4
169.06601	1.3
169.08875	26.2
169.10170	1.8
170.09654	100.0
171.10321	2.9
172.11263	1.8
179.08482	4.6
180.08089	3.3
181.08833	9.4
182.09662	73.2
183.10420	19.8
184.07602	3.6
184.11223	25.5
185.09612	1.2
185.12013	3.4
186.12802	5.7
188.10707	63.2
194.09668	2.2
195.08102	2.2
195.10316	1.4
196.07603	1.2
196.11229	35.3
197.11957	9.1
198.12796	9.0
200.10710	68.2
204.10278	1.8
206.09662	1.9
209.08409	2.7
212.10680	5.1
214.08612	1.1
214.12207	5.0
218.11742	1.2
224.10716	25.1
227.09447	2.2
228.10149	1.8
229.10970	2.8
230.11745	15.8
242.11761	82.0
260.12848	40.8
274.14465	1.8
275.17496	1.1
276.63458	1.2
292.15430	96.5
292.20102	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	292.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01871	1.5
55.05520	7.9
56.05868	0.9
56.96566	2.6
57.03449	3.6
57.07080	1.0
59.05000	0.9
67.05187	0.7
67.05514	9.2
69.03432	3.9
69.07072	12.1
71.04984	2.1
71.08640	3.1
73.06560	0.9
79.05067	0.9
79.05503	15.4
80.05841	1.0
81.07066	9.3
82.07391	1.9
83.04489	1.0
83.04990	19.3
83.08639	3.6
84.08115	0.5
85.02919	0.7
91.05493	14.1
92.05831	1.2
93.07053	17.3
94.07385	1.4
95.04953	1.1
95.08620	14.1
95.09236	0.7
96.08965	1.5
97.06530	4.3
97.10189	1.5
97.94991	0.5
98.97605	4.5
99.08134	0.9
101.86881	0.6
105.07046	3.6
106.07375	1.3
107.04952	1.9
107.08604	3.9
108.08937	1.6
109.06535	1.9
109.10163	2.6
110.10474	1.0
112.99158	1.1
116.98638	1.9
117.07014	0.9
119.04967	8.5
119.08559	1.8
120.08929	1.3
121.10148	7.1
122.10500	3.2
123.04454	3.3
123.08011	0.6
125.09647	0.7
131.00258	0.6
131.08586	0.7
133.06577	1.3
133.10135	1.6
134.10439	0.9
134.99721	0.7
135.04398	0.8
135.08057	0.8
135.11685	1.7
136.12015	1.6
137.05992	59.5
139.11192	62.8
145.10110	0.8
146.78835	0.6
147.04420	5.8
148.12051	0.9
149.05994	1.3
149.09680	0.8
149.13344	1.3
150.13634	1.3
151.07587	1.8
161.06003	3.4
162.12695	0.9
163.07587	1.3
165.51457	0.5
167.10677	3.5
168.11050	4.0
173.01251	0.9
175.07600	0.7
187.16772	0.5
221.05034	0.7
231.13866	5.5
233.11688	1.2
257.15488	0.8
271.10220	1.4
274.18756	1.3
274.26190	1.6
275.16443	100.0
276.16656	0.6
292.12357	1.3
292.15591	2.3
292.19254	16.4
292.22784	0.9
292.27225	4.0
311.04245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17439	0.6
56.96570	1.0
57.03418	0.5
63.69708	0.6
65.37137	0.5
69.03432	0.8
70.06580	0.9
70.30289	0.8
70.30618	1.2
72.08147	2.6
79.05499	0.8
84.04484	0.6
84.08134	1.1
85.02909	0.9
86.97519	0.5
91.05478	1.2
97.02885	0.6
98.21453	0.6
98.97581	1.8
112.11234	1.6
116.98623	0.6
117.09792	0.5
118.06618	0.8
119.04950	2.1
128.06221	0.8
129.07025	1.4
129.13876	0.8
130.06528	1.1
130.08640	0.7
133.08914	0.7
141.06984	1.1
142.63892	0.5
143.08580	1.3
144.08083	1.1
146.16449	1.0
147.04414	10.1
154.06519	1.4
155.07324	2.4
155.08519	0.9
156.08099	3.9
157.08905	0.9
164.07077	0.6
165.06973	1.5
166.07748	0.8
167.07292	4.8
167.08589	1.7
168.08101	9.6
169.08917	3.7
170.09666	9.8
171.10390	1.4
172.11230	2.6
179.08598	1.3
180.08104	1.8
181.08810	3.8
182.09663	100.0
183.10454	24.8
184.07574	1.0
184.11194	3.5
185.12056	0.7
186.12764	1.6
188.10715	4.6
194.09663	0.6
195.10452	0.7
196.11227	27.0
197.11986	8.1
198.12805	8.0
200.10716	7.0
201.11481	1.3
209.08273	1.3
214.12192	2.6
218.11850	0.6
224.10704	9.3
226.08678	0.8
227.09344	2.3
230.11829	2.9
242.11768	94.2
243.12164	0.7
260.12842	22.0
275.17505	0.6
292.15445	35.5
292.20218	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	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
52.57692	1.7
53.03945	3.9
55.01858	3.2
55.05262	1.8
55.05511	23.1
56.96542	1.3
57.03428	4.8
57.07075	13.7
65.03925	2.9
67.05508	40.4
69.03416	1.5
69.07071	42.8
71.05000	2.1
71.08633	9.2
79.05067	2.5
79.05496	36.9
81.03429	3.0
81.07059	100.0
83.04980	3.1
83.08622	21.5
84.04504	3.7
84.08116	1.2
85.02902	1.7
85.04846	2.3
85.06551	8.1
85.10183	3.0
86.00580	1.4
91.05479	24.6
93.07049	69.2
95.04974	9.4
95.08610	87.5
97.06564	2.3
97.10168	10.4
98.97569	3.1
99.08104	2.6
103.00624	1.5
105.07034	35.2
107.04967	2.9
107.08599	65.2
109.06529	12.0
109.10162	46.8
111.08070	3.7
111.11727	4.9
113.09647	1.8
117.07009	2.9
119.07788	2.3
119.08582	27.7
119.36686	1.2
121.06485	1.5
121.10147	49.1
123.08065	5.0
123.11719	18.2
125.09593	3.5
127.05893	1.3
129.06924	1.5
129.43819	1.4
131.08580	3.9
133.10143	21.0
135.08060	5.2
135.10690	2.3
135.11699	45.3
137.05998	8.1
137.09610	2.8
137.13280	8.8
138.06367	1.8
139.11177	4.8
145.10110	5.5
147.07947	1.7
147.11679	20.3
149.09634	2.6
149.13266	61.3
151.11186	3.0
151.14795	3.2
161.09645	2.0
161.13248	15.8
163.11165	1.4
163.14832	24.2
165.12752	6.8
165.16341	2.2
175.14819	8.1
177.16429	8.9
179.14319	2.5
179.17873	2.2
181.60699	1.3
182.93794	1.3
189.09030	1.3
189.16353	6.8
191.17902	4.3
203.18022	7.0
217.15880	1.2
217.19536	5.9
219.20999	1.4
229.29523	1.7
235.20528	1.8
247.24191	2.5
254.24976	1.2
271.10089	1.8
273.18478	8.6
273.22745	1.8
273.25775	37.8
274.15204	3.2
275.16461	4.7
291.09464	2.0
291.19360	12.7
291.26813	82.5
302.21021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2685
Annotation	Geranylgeraniol
Peak:m/z	Relative Intensity
51.02356	2.1
53.03941	2.5
55.01868	4.3
55.05510	20.3
56.96553	3.2
57.07077	10.5
62.87052	1.4
63.26317	1.4
65.03935	2.1
67.05174	1.9
67.05508	35.4
69.03429	3.6
69.07072	59.1
71.04964	4.1
71.08621	4.6
71.56866	3.4
72.04518	3.1
76.38345	1.5
79.05492	22.3
81.03468	1.8
81.07060	100.0
83.05010	2.1
83.08612	22.1
84.04486	3.2
84.08134	3.6
85.00922	1.7
85.02889	2.8
85.06552	19.3
91.05489	13.2
93.07044	42.7
95.04935	3.0
95.08608	87.4
97.06530	9.9
97.10185	11.1
98.97562	5.0
99.08091	15.7
105.04424	1.7
105.07030	17.5
107.08598	55.9
108.16781	1.5
109.02840	2.5
109.06545	2.8
109.10161	73.3
111.08105	14.5
111.11709	9.7
113.09650	3.9
116.98621	2.1
117.06998	2.2
118.06519	4.8
119.04919	2.8
119.08583	19.8
120.08143	1.9
121.10144	42.2
123.08128	2.0
123.10825	2.6
123.11705	46.4
125.09628	4.7
130.06546	8.0
131.00180	1.6
133.06497	2.0
133.10149	8.3
135.11690	31.5
136.06197	4.3
137.05972	15.4
137.13269	19.6
139.11145	6.2
142.62459	1.7
145.10144	2.8
147.04391	1.7
147.06784	3.4
147.11699	8.5
149.13271	44.9
151.07495	2.1
151.14813	5.8
153.12750	9.1
157.10010	1.6
160.74751	1.5
161.13275	7.6
163.14828	28.3
165.16399	4.3
167.14259	5.3
175.14896	3.1
176.14320	11.0
177.07898	2.9
177.16380	21.3
181.15912	4.9
189.16333	3.8
191.17950	10.9
193.19447	2.1
202.15889	6.1
203.17972	4.6
205.19609	3.7
209.19066	2.7
217.19530	5.8
221.07718	1.6
221.19029	3.4
230.15366	1.9
233.11703	10.7
235.20631	5.7
238.04825	1.9
245.16524	1.9
245.22606	2.5
247.18027	4.3
247.24196	11.7
250.14459	3.9
255.06551	3.0
273.25769	13.2
274.14703	3.9
291.06537	2.9
291.09930	2.8
291.14575	3.1
291.17191	18.5
291.23520	3.1
291.26822	95.1
292.19156	7.9
299.22296	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.52769	1.1
53.03950	5.7
53.62796	1.1
55.01863	1.4
55.05274	1.2
55.05514	19.4
56.96545	2.6
57.04606	1.2
57.07066	4.1
59.04997	1.7
65.03928	2.6
67.05507	34.6
69.03418	1.7
69.07068	17.3
69.57721	1.1
69.89741	5.4
71.05016	1.4
71.08604	2.0
74.02383	1.0
79.05496	69.1
81.07059	43.0
83.04967	2.2
83.08617	9.5
85.06528	3.1
91.05481	30.6
93.07045	100.0
95.04971	7.1
95.08607	30.2
97.06522	2.4
97.10188	6.2
98.98470	1.8
105.04509	1.7
105.07030	18.6
107.08596	52.7
109.06530	2.9
109.10166	14.1
111.08019	2.1
111.11762	1.5
111.35255	1.1
117.06996	4.7
119.08588	12.8
121.10146	46.9
123.08106	1.9
123.11720	3.2
125.09610	2.2
128.06189	1.1
129.06941	2.4
131.08568	3.9
133.10132	14.9
135.08035	3.5
135.11694	45.1
137.09587	2.0
143.08519	2.8
145.10085	7.0
147.11703	10.4
149.01236	2.1
149.09596	4.8
149.13249	28.3
151.07506	1.4
153.17554	1.3
156.03711	1.6
157.10097	2.0
159.11690	5.6
159.67708	1.2
161.13277	7.4
163.11119	2.4
163.13567	1.6
163.14813	7.4
171.07889	1.2
171.11696	3.7
173.13257	3.6
175.11116	2.3
175.14824	5.5
177.12793	2.2
177.16327	2.0
185.13283	3.2
188.92358	1.4
189.12692	2.2
198.58061	1.4
199.14738	1.8
203.14297	2.6
207.13751	1.5
209.15306	2.0
213.16415	3.3
217.19382	1.8
235.16875	1.9
241.19603	5.6
249.18546	2.7
259.20572	7.6
273.18396	1.2
291.15436	2.6
291.19632	8.8
291.23148	68.3
291.26575	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03929	2.6
55.01878	14.3
55.05516	47.3
55.17084	1.5
56.96571	1.8
57.03443	7.7
59.05006	1.8
65.03932	3.0
67.05171	3.1
67.05508	36.3
69.03411	5.0
69.07073	10.7
69.73303	7.9
71.04992	2.7
79.05497	56.6
81.03421	2.5
81.07062	54.6
83.04986	8.1
83.08624	18.9
85.06534	3.7
91.05486	63.8
93.07056	27.8
95.04966	13.2
95.08615	17.5
97.06515	2.3
97.10184	23.0
98.20827	2.7
103.05535	1.9
105.03381	7.0
105.07033	27.5
107.04977	14.5
107.08605	25.9
109.06519	5.0
109.10173	11.5
111.08086	4.0
115.05505	1.8
117.07019	26.0
117.07825	1.9
119.04967	2.1
119.08588	70.7
121.06531	12.6
121.10130	11.8
123.08066	3.2
125.09632	20.0
128.06253	2.2
129.06999	9.4
129.07806	1.5
130.07820	3.1
131.08583	30.3
132.05693	3.8
133.06483	4.5
133.10118	6.9
135.08080	15.7
135.11703	3.5
137.09656	1.8
139.03693	1.5
141.06941	2.2
142.07750	2.0
143.08560	16.3
145.06491	3.4
145.09053	2.2
145.10141	26.1
147.08060	45.0
147.11728	2.6
149.09607	6.4
151.07623	1.6
153.09193	1.9
155.08543	1.8
157.10162	8.0
159.08046	4.1
159.11754	10.5
161.09622	10.8
163.11246	2.5
165.09195	2.1
169.10164	3.3
171.10147	4.3
171.11700	6.0
173.13243	2.1
175.11229	3.6
185.09604	2.9
185.13263	3.0
189.11209	13.1
191.24397	1.6
193.12271	2.2
195.11777	2.8
199.14781	2.8
215.23183	1.8
217.15894	3.4
223.13229	4.0
227.17966	5.3
231.13586	1.7
237.16414	3.3
245.19063	4.9
246.62178	1.6
249.14885	9.7
255.17439	8.6
273.18497	100.0
291.19562	70.3
291.22906	2.4
292.06326	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03938	1.0
53.70352	0.6
55.01872	2.8
55.05514	9.5
56.96573	1.9
57.03428	2.3
57.07067	2.3
59.04999	1.6
65.03937	1.3
67.05177	1.0
67.05507	12.5
69.03429	4.2
69.07072	16.3
70.07402	0.7
70.14328	2.7
71.04990	2.6
76.38323	0.7
77.03913	0.9
79.05498	18.4
81.03426	1.3
81.07061	19.7
83.04993	3.8
83.08617	5.6
84.04509	1.8
85.02885	1.2
85.06543	2.1
91.05483	13.3
93.07049	33.4
95.04960	2.9
95.08617	16.5
97.02923	1.0
97.06548	3.5
97.10171	4.5
98.21397	1.0
98.97583	2.4
99.08083	1.0
103.05468	0.9
105.07042	16.5
107.04975	3.8
107.08600	19.1
109.02861	0.8
109.06528	15.2
109.10166	10.2
111.08077	2.2
111.11726	3.1
115.05453	1.3
116.34222	0.6
116.98660	1.2
117.07053	4.0
119.04958	1.4
119.08592	9.1
120.05291	1.2
121.06506	2.3
121.10150	43.0
123.04425	1.3
123.08062	3.5
123.11739	4.0
125.09633	3.3
129.06976	1.9
131.00203	0.9
131.08568	6.3
133.06502	1.7
133.10146	7.9
135.08073	8.1
135.11693	6.5
137.05984	5.6
137.09636	3.3
137.13266	1.4
138.06355	2.4
139.11198	4.2
143.08578	2.2
145.10152	4.6
147.08043	2.0
147.11679	4.8
149.09642	12.7
149.13242	7.3
151.07535	2.5
155.08655	0.7
157.10165	4.5
158.99765	0.9
159.08046	2.4
159.11710	2.4
161.09608	2.6
161.13263	2.9
163.11163	1.4
163.14799	2.5
167.10689	100.0
167.90103	0.7
171.11667	2.0
173.01147	0.8
173.09563	2.0
173.13251	4.3
175.11221	3.4
175.14801	1.2
177.00868	0.9
177.16444	0.9
185.13271	1.5
187.14917	0.9
189.12764	2.0
191.02321	0.8
191.10626	4.0
191.14314	3.7
197.13322	1.6
203.08615	1.7
207.13783	1.3
211.14883	0.9
213.16428	1.1
215.14375	2.5
217.12213	0.8
217.15912	1.9
217.19582	1.0
227.14195	0.8
227.17987	0.8
231.08055	2.4
233.15408	11.3
237.16351	1.5
244.99751	0.9
245.19038	1.2
248.08415	1.6
255.17520	3.0
263.10834	0.8
271.09503	1.2
273.18405	11.4
273.25830	2.8
274.15109	3.6
275.16479	1.8
276.07864	1.1
291.10156	6.0
291.19580	19.7
291.23193	2.8
291.26495	8.0
292.18845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
51.44708	0.8
53.03944	1.9
55.01879	1.8
55.05511	5.8
57.03424	2.5
57.07060	2.6
57.99796	0.7
59.04983	2.4
67.05517	7.9
69.03420	2.2
69.07066	3.9
70.13076	3.9
71.04971	3.5
79.05489	8.7
81.07062	11.7
83.04974	3.3
83.08621	5.1
83.84509	0.9
85.02886	0.9
85.06527	3.4
87.04443	1.2
91.05486	8.0
93.07049	14.2
95.04970	5.2
95.08601	15.7
97.06519	5.3
105.07031	12.2
107.04950	6.4
107.08599	10.5
108.05723	1.1
109.06524	12.8
109.10131	4.8
111.08083	27.7
113.06003	0.9
113.09630	1.5
117.07038	4.3
119.08588	12.8
121.06480	3.1
121.10158	8.3
122.07282	1.3
123.08074	34.5
123.11725	1.5
125.09637	1.6
129.07036	1.9
130.07809	0.8
131.08566	8.8
133.06499	4.9
133.10136	9.7
135.08073	9.0
135.11690	4.8
137.09631	4.9
139.11153	0.9
141.05493	1.2
142.07793	1.0
143.08565	3.0
145.10120	18.8
147.08076	4.6
147.11699	9.4
149.09613	6.7
149.13249	1.4
151.07549	100.0
153.09100	1.0
155.08566	1.0
155.10661	2.8
156.09335	2.8
157.10121	7.2
159.08061	1.6
159.11684	5.1
161.09621	3.8
161.13264	2.3
163.11200	3.9
171.11708	4.4
173.09712	1.8
173.13280	7.2
174.10394	1.8
175.11191	5.3
177.09108	1.9
177.12749	3.6
179.10689	4.6
185.13245	2.8
187.11218	5.2
187.14778	2.5
189.12752	29.9
189.16379	1.1
190.13536	0.9
191.10619	2.0
191.14284	6.8
192.11455	3.4
197.09926	0.9
197.11737	18.6
197.13313	2.1
199.11125	1.9
201.12619	1.0
203.14279	3.2
205.12221	1.2
207.13809	66.5
211.13191	1.3
213.16377	3.4
215.14317	7.6
217.12285	3.5
222.13727	0.9
227.17894	1.1
231.17462	2.7
233.15379	22.4
235.13361	1.0
237.16447	1.0
249.18564	1.2
255.17430	3.5
273.18478	11.7
291.19543	68.1
304.56897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1706
Annotation	CL 22T
Peak:m/z	Relative Intensity
54.25568	0.3
54.95551	0.3
55.01877	0.9
55.05511	0.9
67.05508	0.6
70.10002	1.2
72.04524	19.5
77.82205	0.3
79.05488	0.6
81.07043	0.5
84.04510	0.4
88.04006	0.6
91.05479	0.9
93.07063	0.6
95.08672	0.4
96.51527	0.3
98.02378	0.6
98.20745	0.6
99.00819	0.5
105.07059	0.5
107.08607	0.7
108.85782	0.4
116.03454	1.0
118.06547	10.2
119.08601	0.5
121.10096	0.6
132.08080	4.3
133.08833	1.9
134.09647	1.0
143.08517	0.4
144.08107	3.3
145.08878	0.5
146.09639	3.0
147.10413	0.4
158.09686	1.2
159.10449	0.5
160.11246	0.8
171.09277	0.7
172.11285	1.0
176.14365	78.4
176.60516	0.4
187.08630	0.8
189.10287	1.0
202.15927	29.0
203.11797	1.6
217.13374	1.4
229.17012	4.3
245.16524	10.9
246.14870	1.7
247.18074	26.6
273.16000	7.3
273.18674	0.7
274.14404	30.0
291.17050	100.0
292.17313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.11905	0.8
50.83053	0.8
53.03933	1.2
54.55447	0.8
55.01864	1.6
55.05518	8.9
56.96575	0.8
57.03445	1.2
57.07082	4.4
59.05001	2.6
67.05507	6.7
69.03432	3.0
69.07066	3.2
70.03146	3.5
71.04987	3.6
79.05495	11.3
81.07057	9.3
83.04977	2.5
83.08622	9.8
85.02908	1.3
85.06549	2.1
91.05494	7.0
93.07054	13.0
95.04963	4.6
95.08054	1.3
95.08617	18.1
97.06551	6.4
105.07040	9.3
107.04964	14.3
107.08605	9.7
108.05740	1.4
109.06516	9.0
109.10168	2.8
111.04479	0.9
111.08089	41.0
113.09624	2.3
115.05401	0.9
117.07026	2.6
119.08574	9.6
121.06500	1.8
121.10132	8.5
122.07275	1.2
123.08079	32.1
123.11746	1.4
125.09630	2.6
129.07059	1.1
131.08549	7.5
133.06477	2.5
133.10164	10.0
135.08064	8.6
135.11742	4.7
137.05971	1.3
137.09615	2.9
139.11124	1.2
141.05460	1.7
141.07004	0.9
142.07809	1.0
143.08580	2.2
145.10136	6.8
147.08069	3.5
147.11687	5.0
149.09645	7.1
151.07552	100.0
153.09105	1.2
153.61664	0.8
155.10712	3.0
156.09332	1.6
157.10178	4.4
158.10931	0.9
159.08080	1.8
159.11697	1.3
161.09619	3.8
161.13243	0.9
163.11229	5.0
165.09137	0.9
167.10664	0.9
169.10201	1.1
169.12242	1.2
171.11719	2.6
173.09581	0.9
173.13287	8.9
174.10498	1.5
175.11221	4.7
177.09152	2.6
179.10641	4.8
181.12167	1.7
182.10945	1.0
187.14845	0.9
189.12769	25.8
191.14314	14.3
192.11441	3.9
197.11748	15.6
197.13326	2.2
205.12334	1.1
207.13818	64.1
211.13287	1.5
213.16347	1.0
215.14365	3.7
217.12338	3.9
231.17473	3.1
233.15382	46.3
235.13354	2.5
249.18484	2.1
255.17355	3.9
273.18527	6.7
291.19565	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	5.8
56.96568	35.9
69.03424	6.6
69.99587	23.9
70.06596	10.1
80.26694	6.3
84.04520	8.8
84.96041	9.9
85.02907	12.7
93.07043	10.5
97.02885	12.7
98.97586	100.0
100.02226	5.4
101.00903	8.9
104.49586	7.0
110.07143	5.5
110.97580	16.7
116.98615	26.7
118.12388	4.9
119.01942	10.3
121.10159	5.4
124.99126	13.8
128.98604	9.4
129.05466	19.4
131.01901	6.4
134.99602	5.7
136.07642	6.0
141.64583	5.0
143.00185	18.0
146.99663	7.8
158.99713	36.5
160.15205	5.1
161.01205	7.5
161.02950	11.0
163.04034	6.6
170.99762	5.8
174.07687	12.6
177.00734	22.1
182.09700	7.4
189.00734	5.6
189.02463	9.8
201.02565	6.7
205.00224	7.3
219.01721	18.4
223.01270	7.8
237.02681	11.8
249.04692	7.7
259.11417	7.6
291.08392	90.8
291.14185	11.2
291.19659	6.0
303.18082	5.6
309.08490	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	290.1752
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.70835	0.5
55.05518	1.0
56.05033	3.4
56.96572	7.3
57.03430	0.9
57.07079	2.8
58.06598	2.0
64.10452	0.6
65.03941	1.6
67.05509	10.0
69.07076	4.2
70.06585	0.7
74.06088	2.6
79.05489	3.4
81.07056	2.5
81.09467	0.7
82.06590	3.4
83.04993	0.7
83.20670	0.7
84.04520	1.9
85.19996	0.7
88.07639	9.2
91.05470	2.2
93.03410	1.9
93.07042	3.4
95.08618	1.4
96.98428	0.9
97.06530	2.6
98.97604	1.1
105.07036	0.9
107.08601	3.1
109.06513	1.5
109.10160	1.5
110.06049	31.7
111.04453	7.6
118.08658	1.7
122.08122	1.6
123.04414	1.2
128.00188	0.7
135.08066	1.2
135.11702	4.5
137.06010	4.9
138.05510	100.0
163.07481	0.9
166.75764	0.7
171.54897	0.8
178.09564	0.8
185.04781	0.9
208.10062	0.9
220.19646	0.7
225.94742	0.7
226.11156	27.6
242.24803	10.2
244.12242	11.5
249.12723	2.2
258.00500	0.7
258.11310	0.8
267.09039	2.1
267.13745	2.5
269.61633	0.7
272.25922	0.7
285.10056	1.3
290.10437	1.2
290.14056	1.3
290.17566	6.9
290.26923	37.4
291.19635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90899	6.6
69.62875	29.1
69.63287	17.3
72.13983	7.4
73.27410	7.3
98.20760	15.3
103.00617	9.8
116.29605	7.3
121.01724	9.6
139.87103	7.0
173.01402	7.0
262.44516	8.3
291.07941	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1746
Annotation	Mesembrine
Peak:m/z	Relative Intensity
55.01859	0.5
56.05048	0.5
56.96575	0.6
58.06579	1.2
67.05496	0.5
69.07068	2.4
70.06609	2.3
71.56587	0.4
72.08159	0.7
79.05460	0.5
81.07072	0.4
81.51040	0.4
82.63430	0.4
84.04500	0.6
84.08144	1.7
86.09713	0.4
86.97976	0.4
91.05463	1.1
92.87928	0.4
93.07030	0.5
95.08608	0.8
97.06537	1.3
98.97548	0.4
103.05525	0.8
115.05497	0.5
118.06863	0.7
119.04945	0.5
120.08132	0.5
123.04400	0.5
129.10226	1.1
130.05037	0.4
130.06535	0.8
131.04935	0.6
133.06560	0.6
137.05966	1.9
145.06479	0.7
148.05202	0.6
148.07536	0.4
149.06010	2.1
159.09175	0.8
160.05174	0.8
160.07616	0.7
161.05923	1.9
162.05502	4.0
163.06255	1.3
164.07062	1.0
173.05972	1.7
175.07564	0.8
176.07077	4.1
177.07858	100.0
178.08464	1.5
190.08624	0.5
191.09331	0.8
198.56715	0.5
216.10207	0.6
246.14909	41.2
258.11368	0.6
272.16373	1.3
290.17502	36.8
294.15924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03932	2.8
55.01864	2.6
55.05519	14.1
57.07068	5.0
67.05505	25.6
67.28336	2.3
69.07072	50.9
71.04987	3.4
72.75590	2.2
75.38979	2.2
79.05499	22.1
81.06585	4.0
81.07060	82.5
83.08607	10.3
85.06524	3.7
91.05494	13.1
92.60561	2.8
93.07046	41.7
95.08614	55.8
97.06506	3.7
97.10159	5.9
105.07046	21.5
107.08607	47.8
109.10172	43.9
111.08100	4.5
111.11731	37.2
113.09663	2.9
117.07023	3.6
119.08577	27.2
121.10149	31.9
123.06386	2.8
123.11701	20.5
125.09640	3.0
127.03953	12.5
131.08595	4.5
133.10127	20.9
134.32326	2.7
135.11699	42.7
137.09622	2.7
137.13248	8.5
139.11180	4.6
145.10144	9.8
147.11671	20.6
149.13300	22.8
151.11205	2.7
153.79001	2.8
159.11731	10.7
161.13309	17.9
163.14825	26.8
165.12785	3.3
173.13261	6.8
175.14816	10.2
177.16435	5.3
179.14265	2.6
187.14848	5.6
189.16391	8.4
201.16402	10.2
203.18045	3.2
215.18015	9.6
229.19522	3.7
231.21045	4.0
271.24194	43.7
289.14850	2.8
289.22116	4.2
289.25272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90040	0.4
53.30465	0.3
55.01880	0.5
55.05514	1.1
56.05047	2.1
56.96580	0.5
57.03436	2.6
60.04533	0.5
60.14642	0.4
61.02931	4.1
63.47754	0.4
67.05518	2.1
68.99807	3.8
69.03431	1.5
69.07076	6.5
69.41577	2.9
70.06593	0.7
72.04532	0.7
73.02920	2.5
75.04481	1.1
79.05502	0.5
80.05013	0.7
81.03423	2.7
81.07059	1.4
84.04511	100.0
84.96065	0.4
85.02912	14.2
87.00838	6.6
88.07716	0.4
89.79284	0.4
91.04974	0.4
91.05473	1.9
93.07066	1.4
95.04950	0.4
95.08604	1.0
96.04496	2.0
96.08987	0.4
97.02913	1.8
97.62068	0.4
98.06075	1.7
98.97598	2.4
99.04487	0.9
103.03951	14.8
105.01863	2.1
105.06984	0.4
107.08601	1.0
108.04501	0.4
109.02880	2.6
109.10162	0.7
110.06047	0.9
110.97578	1.2
112.04020	0.4
119.04982	0.9
119.08595	0.5
119.73589	0.4
123.04466	1.1
124.03931	0.9
126.05528	20.1
127.03918	2.8
128.98637	1.2
129.01854	6.0
134.10416	0.3
135.04414	0.4
137.05988	5.2
137.09641	1.6
140.07196	0.3
140.96431	0.4
144.06589	0.7
145.05020	0.5
147.02902	4.3
147.04071	0.5
147.04463	0.3
150.05516	1.2
151.69893	0.5
156.06602	1.0
158.99727	0.4
163.07547	0.9
164.07101	0.9
168.06590	4.6
169.05122	0.6
170.99675	0.5
171.02971	1.6
186.07639	3.3
189.00674	0.9
189.03963	5.2
204.08757	2.6
213.04007	0.4
228.08818	1.5
249.02882	1.1
254.06560	0.6
272.07755	3.9
273.14874	7.9
290.08765	20.3
290.13968	3.1
290.17429	3.4
290.21088	0.7
290.25659	1.1
290.64450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03944	1.2
55.01868	1.1
55.05515	11.0
57.03434	1.1
57.07064	3.8
67.01874	0.9
67.05509	24.9
67.05868	1.3
69.03416	2.2
69.06722	1.5
69.07072	18.5
69.21690	0.8
69.47984	6.1
71.04993	2.0
71.08603	1.1
73.06571	0.9
75.68239	1.0
79.05496	15.0
81.03419	1.2
81.07062	53.2
83.05001	1.4
83.08622	7.9
84.04502	1.7
85.02920	1.1
85.06547	15.3
91.05481	12.8
93.06467	1.8
93.07049	27.9
95.04949	2.2
95.08613	49.9
97.06534	2.2
97.10155	4.0
98.97572	1.5
99.08096	6.9
101.00899	3.0
105.07036	27.6
107.08601	29.3
109.06555	1.4
109.10162	27.1
111.00828	1.0
111.08080	3.0
111.11720	2.4
113.09641	2.9
113.95109	0.8
115.05492	0.9
117.03404	1.1
117.07044	2.8
119.01920	2.2
119.07796	1.6
119.08592	24.6
121.06529	0.9
121.10154	22.5
123.04453	1.9
123.11697	9.5
125.09625	3.5
127.03902	2.7
130.78233	0.9
131.08589	7.8
133.10138	26.4
135.04399	3.4
135.11705	17.7
137.05978	2.7
137.09616	1.1
137.13254	2.6
139.03871	1.2
139.11174	3.4
143.01913	1.3
145.02840	2.2
145.10127	13.4
147.11696	21.6
147.12808	1.9
149.13264	16.1
151.14815	1.1
153.01837	22.7
155.91524	1.0
159.11696	10.7
161.02924	1.8
161.13272	22.6
163.03908	11.3
163.14827	8.7
164.07147	5.6
165.12714	1.4
173.13243	10.9
175.14838	15.6
177.16365	4.0
179.03383	1.5
179.14417	1.8
187.00883	2.0
187.14897	7.3
189.16402	9.7
189.83488	0.8
191.17946	3.1
193.15855	2.7
199.11633	1.2
201.16356	5.3
203.18001	2.6
207.17397	1.7
215.17891	5.5
219.17348	1.4
229.19514	1.4
231.21039	2.6
233.18971	2.6
252.56348	1.0
252.99236	1.0
271.05939	1.3
271.24228	20.4
289.07150	19.7
289.15283	4.5
289.25272	100.0
290.25385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03947	8.7
55.01876	8.0
55.05509	35.9
56.96566	7.4
57.03432	10.0
57.07071	14.5
59.05000	3.3
65.71454	3.4
67.05508	43.9
69.03429	5.6
69.07070	52.8
69.21883	7.5
69.22309	23.6
71.05007	27.1
76.94366	2.9
79.05493	40.8
81.03410	6.9
81.07059	93.4
83.04980	20.6
83.08624	20.0
84.04462	3.1
84.08146	3.7
85.02899	6.8
85.06549	4.4
91.05484	46.1
93.07048	84.6
95.04965	17.5
95.08608	62.6
96.82104	3.2
97.06551	8.3
97.10159	9.5
98.20696	5.8
98.97571	9.5
99.04498	3.4
99.08083	10.5
101.00903	4.1
101.06022	4.3
103.05481	4.7
105.04534	3.4
105.07040	62.7
107.04973	8.5
107.08601	86.9
107.09298	5.6
109.06512	9.2
109.10159	74.6
109.10924	3.7
111.08076	6.4
111.11686	3.9
115.05435	3.9
116.98597	3.7
117.07023	11.6
117.22798	2.8
119.01933	9.0
119.04899	5.3
119.08584	50.1
121.06506	27.4
121.10147	64.8
123.08066	8.0
123.11713	21.7
124.53865	3.1
125.05975	5.3
127.03905	20.6
127.11207	42.5
127.22604	3.3
129.07050	7.6
131.08603	24.5
133.06503	13.3
133.10127	39.9
135.08052	28.5
135.11688	32.6
137.02319	4.9
137.05977	18.7
137.09613	7.8
137.13251	5.5
141.06949	4.9
143.01888	4.8
143.08607	6.3
145.06500	7.8
145.10123	25.0
147.08057	12.3
147.11679	36.0
149.09631	9.0
149.13269	68.8
151.07610	3.2
151.11183	4.6
153.12738	4.6
155.08562	5.6
157.10095	6.3
158.99736	3.8
159.08052	14.0
159.11684	27.4
161.02960	5.1
161.09602	4.1
161.13264	21.5
163.07579	13.5
163.14841	18.1
167.95314	3.5
169.10164	5.0
171.11650	3.5
173.09622	9.2
173.13239	18.6
175.14836	11.2
177.09119	9.5
177.16386	8.9
179.14268	3.4
183.11717	5.4
187.11249	6.2
187.14828	27.8
189.16380	8.9
191.10620	3.5
191.17946	11.9
193.15872	4.6
199.11278	3.2
201.16409	11.2
203.17984	59.8
211.11105	4.0
213.10777	3.7
215.14296	5.5
215.17998	12.5
219.17610	5.9
229.12332	4.4
229.19589	4.0
231.13855	4.0
233.15346	5.6
243.17456	9.8
261.18637	4.2
271.17114	18.2
271.24179	41.7
272.20044	6.1
289.14206	16.9
289.18018	100.0
289.21555	5.6
289.25226	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05510	18.6
57.07056	8.8
59.77356	2.2
67.05505	25.1
69.07070	32.8
70.72707	6.2
71.04989	7.5
71.08630	2.9
73.06499	2.0
79.05497	18.8
81.06586	4.0
81.07059	81.1
82.13924	2.0
83.08618	14.6
85.06524	4.6
91.05471	10.3
93.07046	48.5
95.04994	2.9
95.08610	68.2
97.06522	3.4
97.10144	7.2
99.08092	4.1
105.07033	37.3
107.08597	59.3
109.09468	3.9
109.10159	51.5
111.08060	3.1
111.11710	3.8
111.97691	2.1
115.82220	2.5
117.07075	3.1
119.08580	39.4
121.10148	51.7
123.08070	6.9
123.11722	28.8
127.03902	13.4
127.11221	11.3
131.08563	9.8
133.10138	25.3
135.11684	24.5
137.13237	10.1
139.11200	4.1
145.10139	16.3
147.11688	33.0
149.13263	48.6
151.11142	3.4
151.14803	4.1
159.11693	13.5
161.13260	26.5
163.14836	22.8
165.12805	4.9
165.16432	2.4
167.14294	2.8
173.13216	12.5
175.14857	18.3
177.16394	10.6
179.14360	11.7
187.14787	14.3
189.16394	8.7
191.18007	9.2
193.15916	4.7
195.17337	2.7
201.16429	12.3
203.17975	23.5
205.15950	4.3
215.18019	12.5
217.19516	5.3
228.19011	2.5
229.19536	5.0
231.21120	3.3
243.20813	2.6
245.22639	3.7
261.23300	2.8
261.25729	3.0
271.21140	4.4
271.24188	60.1
289.18423	3.9
289.22296	5.0
289.25269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01885	2.4
55.05513	1.6
56.96568	2.5
57.03427	2.1
57.07078	0.6
58.06594	0.5
58.31094	0.5
58.99568	1.7
59.05000	2.6
60.05624	0.9
61.02692	0.5
61.02924	5.7
67.05511	1.2
68.05011	1.5
69.03423	3.4
69.07055	1.2
69.64751	1.8
69.65161	1.4
70.06601	3.8
71.05003	4.7
71.06924	0.7
72.04493	1.2
72.08152	1.0
73.02926	1.1
76.02225	4.5
77.97524	0.5
79.05486	4.0
81.03419	2.2
81.04537	7.0
81.07062	10.8
82.05301	2.3
83.06111	1.8
84.04499	2.2
84.08128	1.8
84.96011	0.7
85.02910	7.9
86.09695	1.2
87.04462	0.9
87.08115	1.1
88.02217	0.6
88.11248	0.6
90.05565	4.2
91.05441	0.7
91.79806	0.5
94.06568	0.6
95.01319	1.1
95.06093	12.7
95.32402	0.7
96.04482	0.5
96.08135	1.2
97.02880	2.9
97.06536	26.9
98.97578	3.0
99.04468	0.6
104.01727	1.0
107.04990	0.8
109.02911	1.4
110.05995	0.6
110.97528	0.6
111.05570	26.7
113.02377	0.6
116.01707	2.6
116.07131	0.7
116.98610	1.3
119.01925	1.1
120.08126	0.9
122.02760	1.1
122.06046	2.0
123.04603	1.2
123.05554	30.1
125.07156	0.8
126.05582	0.7
127.03922	100.0
128.04242	0.9
128.98595	0.8
130.06532	1.0
134.50797	0.5
137.05975	1.2
139.04015	0.7
141.06593	46.7
145.04999	1.5
146.99615	0.8
150.05524	1.7
151.03929	0.8
153.01883	0.9
154.06889	1.5
156.01208	0.8
158.02728	10.2
158.06052	0.6
158.99672	1.1
163.03934	0.9
163.12294	2.9
168.06592	0.7
175.05412	1.1
175.12364	0.7
176.03833	4.6
179.03381	0.6
191.04932	0.7
191.11879	1.6
193.04677	0.6
193.06421	13.4
209.12863	4.5
221.10805	0.6
221.12819	9.5
221.14801	0.8
226.05301	0.7
230.15939	1.6
237.02768	0.7
239.11609	1.4
239.13925	13.6
241.15468	5.7
253.15657	1.4
265.06378	1.3
271.11319	3.9
271.16544	50.7
289.05624	0.6
289.07086	0.5
289.12686	9.4
289.17682	25.1
289.20435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
50.74163	0.9
53.03945	1.7
53.51847	1.0
55.01852	1.7
55.05272	1.0
55.05514	14.5
55.17386	1.1
56.96550	2.3
57.07076	6.7
66.90871	0.9
67.05180	1.3
67.05508	18.2
69.03453	1.0
69.07072	19.7
70.49988	0.9
71.08624	1.3
71.55181	1.2
71.91822	1.1
72.01665	1.2
72.62642	1.1
79.05497	18.4
81.07060	100.0
83.08624	16.2
85.06528	1.6
88.48600	1.1
91.05488	7.4
93.07044	22.4
95.04948	1.9
95.08613	41.6
97.06500	1.4
97.09747	0.9
97.10185	9.8
105.07035	12.5
107.08603	16.2
109.06506	4.8
109.10156	25.2
111.08087	5.1
117.07033	1.9
119.08589	11.5
121.10159	14.9
123.08105	1.6
123.11717	17.9
125.09660	1.5
127.03905	6.1
129.52396	1.5
131.00142	1.5
131.08598	6.1
133.10152	10.3
135.11702	9.3
137.09619	1.8
137.13228	3.0
145.10141	7.3
147.11688	10.9
149.13249	9.1
151.11169	2.2
157.10252	1.1
157.53790	1.9
159.11671	6.9
161.13278	8.1
163.14850	6.9
165.12694	1.4
173.13245	4.8
174.86015	1.0
175.14809	5.8
177.12794	1.3
177.16411	4.6
179.18008	2.5
187.14809	4.8
189.16377	8.6
191.14241	1.8
201.16472	5.2
203.17966	2.9
207.17422	3.1
215.17952	7.1
229.19472	2.2
233.18881	1.9
268.14679	1.9
271.24188	17.2
289.22061	2.8
289.25269	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	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57083	1.6
53.03936	2.8
55.01871	4.7
55.05499	7.1
59.03946	1.7
67.05506	11.8
69.03404	2.9
69.07066	10.3
69.31143	12.1
69.31548	3.5
71.04990	8.0
71.17651	1.4
73.20281	1.5
79.05486	15.4
81.07056	37.8
83.04975	13.0
83.08598	3.7
84.29486	1.6
85.06534	6.5
88.02744	1.5
91.05483	9.8
91.63003	1.8
93.07047	49.9
95.04974	12.4
95.08051	3.3
95.08607	36.2
97.06531	25.5
99.04453	20.0
105.07035	29.7
107.04947	5.9
107.08601	21.8
109.06521	24.1
109.10149	5.3
111.08082	18.4
113.05992	3.6
113.09673	1.7
117.07008	1.6
119.08585	17.0
121.06508	71.1
121.10130	3.1
123.04414	4.3
123.08060	4.7
123.11709	8.6
125.06000	11.3
127.07513	8.4
129.07004	2.3
131.08553	4.7
133.06532	2.6
133.10144	15.0
135.04402	4.8
135.08064	12.4
137.05956	5.0
137.09613	2.3
137.13283	1.8
139.07553	20.2
141.05458	2.3
142.07759	3.2
143.07089	10.0
143.08545	6.3
145.10130	6.3
147.08047	4.5
147.11696	44.9
149.13272	3.4
151.11171	4.7
153.01842	7.4
157.08598	11.2
157.10107	8.8
159.06511	8.7
161.13255	9.1
163.03903	1.7
163.14934	1.9
165.06995	2.4
165.12759	13.9
166.07791	2.1
169.12218	18.3
171.11687	11.8
173.08098	2.6
173.09621	1.9
175.11183	28.6
181.10121	4.5
189.12737	19.7
193.12250	29.1
199.11194	24.2
207.13823	14.9
211.13292	28.1
217.12247	89.7
229.14380	11.9
233.20332	2.1
235.13277	100.0
253.14360	54.4
263.40714	1.6
271.15381	4.7
289.07010	5.5
289.16037	1.5
290.17300	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1647
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
52.66352	2.1
53.03939	3.8
55.01874	8.2
55.05516	18.0
56.96567	4.4
57.03422	3.0
57.07059	5.0
60.38148	2.2
61.02915	2.5
63.19727	2.5
67.05170	3.5
67.05506	34.8
69.03424	7.7
69.07070	40.8
70.19279	7.2
71.04993	14.9
71.08619	2.6
79.05491	38.1
81.03406	3.9
81.07060	89.5
83.04984	16.6
83.08623	15.2
84.04486	12.9
84.08121	4.1
85.02919	8.3
85.06541	13.4
88.89140	2.3
91.05486	28.8
93.07049	85.3
95.04964	19.8
95.08614	82.7
97.06539	39.6
97.10162	3.5
98.97591	7.4
99.04469	25.3
99.08090	5.5
101.00871	10.7
101.05960	3.5
102.47672	2.2
103.03955	4.3
103.05447	3.6
105.07036	55.4
107.04951	5.4
107.08598	52.8
109.02916	2.6
109.06522	28.4
109.10156	31.6
111.08114	23.9
111.11736	5.0
113.06041	3.9
113.91157	2.4
115.07613	2.5
116.98643	4.0
117.07047	5.3
119.01959	15.3
119.04980	4.3
119.08571	32.8
121.06506	77.6
121.10139	23.0
123.04435	9.4
123.08059	7.2
123.11720	24.4
125.06033	14.0
125.13329	2.8
127.03940	13.2
127.07550	6.0
129.07027	4.7
131.08588	10.5
133.06474	5.8
133.10136	38.7
135.04437	5.8
135.08069	10.8
135.11676	17.6
137.05995	16.4
137.09665	3.5
137.13242	9.1
139.07544	21.3
141.05504	3.2
142.07822	5.1
143.01923	9.7
143.07034	13.2
143.08575	5.4
145.10103	20.2
147.06926	2.5
147.08025	4.6
147.11691	63.8
149.05980	3.2
149.09644	5.5
149.13268	21.5
151.03902	3.0
151.07542	5.0
151.11176	6.9
151.14742	3.4
153.09119	4.9
155.08470	2.4
157.03464	7.1
157.08597	12.5
157.10146	18.6
159.06523	15.1
159.11703	7.5
161.03001	11.7
161.05943	3.8
161.09627	3.6
161.13293	23.8
163.14841	10.7
165.12766	22.7
167.83853	2.3
169.12210	17.4
171.07999	3.8
171.11667	13.1
173.09552	5.0
173.13268	9.5
175.04512	3.5
175.11189	28.8
175.14806	7.3
177.16374	4.2
179.14355	3.7
181.10135	4.8
187.00917	9.1
187.14830	5.2
189.12775	25.5
189.16391	8.2
192.10112	5.2
193.10616	3.9
193.12216	31.4
199.11244	25.1
201.16386	6.6
203.18011	3.6
207.13829	12.9
211.13281	31.7
215.17973	7.9
217.12248	96.6
229.02005	4.2
229.14330	13.3
235.13283	100.0
235.15590	5.3
245.06320	5.0
245.22728	4.7
251.93997	2.3
253.14346	64.1
271.15265	3.8
271.24191	32.3
280.63736	5.5
289.05365	20.1
289.15601	4.2
289.20093	6.7
289.25253	63.9
294.43781	2.4
312.11826	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	289.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.5
56.96565	1.5
57.03432	3.3
58.99598	3.5
61.02917	1.6
67.05502	1.4
69.03426	3.1
69.07062	2.6
69.92397	2.9
70.06592	2.4
71.04996	1.4
72.04523	1.7
73.02894	1.0
73.19031	0.7
76.02229	10.0
79.05491	6.7
81.03427	1.5
84.04504	0.8
84.08132	0.9
85.02905	6.5
86.99030	0.8
87.04475	0.8
88.02214	0.9
88.07639	0.7
90.05559	11.3
96.08157	0.7
97.02895	1.6
97.06535	89.0
98.20796	0.6
98.97576	1.4
104.01681	2.3
105.07058	0.8
109.02873	1.2
111.04444	0.7
116.01677	5.2
123.04438	1.5
126.05547	0.9
127.03922	100.0
128.05360	1.3
128.98602	0.6
134.08118	1.6
137.05997	0.9
145.05063	1.1
145.22751	0.7
153.01828	0.8
154.06889	3.2
158.02721	23.1
172.07906	1.4
175.05276	3.2
176.03778	13.6
191.04922	1.0
193.06429	40.1
223.12370	0.9
271.11069	7.2
289.07159	0.9
289.12387	4.3
289.15726	1.8
289.21021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1548
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
55.05508	0.7
56.96565	0.3
57.07064	0.3
58.65988	0.2
65.03964	0.3
67.05511	0.9
69.07064	1.3
79.05487	2.0
80.05018	0.6
81.03403	0.3
81.05797	0.3
81.07060	2.5
84.04505	0.3
85.06499	0.2
91.05483	4.5
92.05033	0.3
92.06255	0.3
93.07037	1.8
94.06576	1.3
95.04980	0.4
95.08623	1.3
96.08134	2.0
98.97580	0.5
103.05460	0.6
104.04976	0.5
105.05788	0.4
105.07020	1.4
106.06527	2.0
107.08613	1.3
108.08105	0.9
109.10149	1.0
110.06046	0.3
111.47440	0.3
116.04981	1.0
117.05779	1.0
117.07029	0.4
118.06541	4.9
119.07343	1.2
119.08588	1.7
120.04499	0.2
120.07241	0.6
120.08109	12.8
121.06506	0.3
121.10159	0.6
122.09657	0.9
123.11702	0.4
124.07597	9.7
126.09172	1.4
127.03886	0.4
131.08582	0.3
133.10139	0.7
134.06012	5.5
135.11664	0.4
136.07581	5.5
137.06036	0.3
138.05505	2.3
138.09161	0.6
143.01944	0.2
145.08865	0.4
145.10112	0.6
146.04831	0.4
146.06007	8.2
147.06764	2.5
147.11696	1.0
148.07573	11.1
149.13260	0.5
150.09160	1.3
152.07097	0.6
158.09695	0.3
159.08003	0.4
159.11707	0.5
161.13266	0.7
163.14926	0.3
164.07069	100.0
165.07802	1.4
166.08643	3.4
170.09627	0.4
172.11284	0.3
189.16376	0.3
198.09210	0.3
198.12796	0.3
200.10719	0.9
200.14287	0.4
214.11029	0.8
215.15578	1.4
216.10252	2.4
225.14006	0.3
226.12262	0.6
228.10258	0.5
229.13379	1.0
232.09605	0.4
243.14929	6.0
245.16513	3.2
253.13376	1.2
254.11806	1.2
259.15680	2.7
271.14420	24.4
271.24179	0.6
289.15463	85.1
289.25015	2.8
290.15833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42912	2.2
52.29877	2.2
53.03951	2.7
55.01876	4.4
55.05503	7.1
67.05505	10.3
69.03435	5.8
69.07070	16.9
69.24385	9.2
69.24823	12.7
71.04996	9.7
73.80741	2.2
79.05515	16.4
81.07065	44.2
83.04977	18.4
83.08636	5.4
85.02947	2.4
85.06562	12.2
91.05489	10.0
93.07056	51.5
95.04987	12.5
95.08621	36.8
95.76237	2.7
97.06548	26.2
98.20658	3.7
98.97583	5.6
99.04461	23.6
101.06102	2.8
105.06389	3.1
105.07038	30.3
107.04977	5.0
107.08592	23.1
109.06533	29.4
109.10178	5.5
111.08085	21.0
113.06029	4.2
119.08591	19.2
121.06515	67.0
121.10158	4.8
123.04433	5.8
123.08114	4.3
123.11710	13.3
125.06013	13.7
127.03901	3.7
127.07570	8.9
129.07031	3.3
131.08594	5.6
133.06497	2.6
133.10149	15.7
135.08047	11.5
137.05980	4.1
137.09624	4.2
139.07521	16.2
141.05554	2.9
143.07025	8.5
143.08617	5.2
145.10091	7.8
147.07993	3.7
147.11699	47.1
149.13258	4.2
151.07491	2.5
151.11171	4.1
153.01826	3.2
157.08632	11.9
157.10020	13.8
159.06569	15.1
159.07716	3.0
161.13274	9.4
165.12807	15.9
169.12221	17.0
171.11723	14.3
173.13298	3.1
175.11188	29.0
181.10155	3.0
189.12772	18.5
191.09476	6.0
193.12259	36.2
199.11212	26.9
207.13826	16.0
211.13301	35.1
217.12274	88.7
229.14381	13.0
235.13316	100.0
243.27162	2.8
246.24161	2.9
253.14388	56.4
258.12204	2.4
271.15332	4.6
289.07083	3.7
289.16174	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	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03942	0.7
55.01869	1.9
56.96555	0.4
57.03444	1.5
58.99579	1.1
61.02925	0.6
67.05508	0.8
69.03439	1.8
69.07069	1.0
70.06586	1.0
70.07628	0.5
70.08028	1.3
71.05000	1.1
72.04520	0.5
73.02919	0.5
76.02234	4.9
79.05497	2.3
81.03412	0.8
84.04535	0.4
84.08114	0.5
85.02424	0.4
85.02913	5.7
86.09696	0.6
87.04509	0.3
88.02238	0.5
90.05569	3.7
95.06075	0.4
96.08175	0.4
97.02913	2.0
97.06539	28.1
98.97579	0.7
100.02215	0.3
104.01694	0.8
109.02866	0.7
110.07108	0.3
111.05573	0.4
116.01675	2.3
116.07115	0.4
123.04495	0.6
123.05486	0.3
127.03926	100.0
130.03159	0.3
134.08171	0.7
141.06630	0.6
145.04968	1.2
154.06879	1.1
158.02724	9.5
171.03001	0.3
172.08015	0.3
175.05408	1.5
176.03770	4.1
191.04890	0.3
193.06442	13.0
199.13422	0.3
221.10899	0.3
223.12267	0.3
235.82797	0.3
257.13242	0.3
271.06140	0.4
271.11163	3.1
271.16595	0.8
289.09537	0.3
289.12476	1.5
289.15451	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1074
Annotation	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
53.03923	1.2
54.64386	0.5
55.01866	1.2
55.05516	2.6
55.74277	0.5
56.96561	0.7
65.03944	1.9
67.05501	3.9
68.99792	1.2
69.03427	1.0
69.07066	3.4
69.20368	5.1
71.04977	1.3
72.08164	0.9
79.05502	3.7
81.03421	1.0
81.07063	5.6
83.08627	1.0
84.04491	0.9
85.02914	1.1
85.06515	1.2
91.05489	13.6
93.07043	5.8
94.06531	1.3
95.04965	2.7
95.08611	5.2
97.02895	1.7
97.06543	1.8
97.83112	0.6
98.97598	1.2
101.00882	0.8
103.05473	0.8
105.07051	10.1
107.04964	100.0
107.08615	3.6
108.02090	1.0
109.06528	0.8
109.10157	3.2
110.03651	1.0
111.04443	0.8
116.98640	0.6
117.07018	0.8
119.01956	0.8
119.04951	33.9
119.08572	3.1
120.05745	1.4
121.02874	2.0
121.06516	9.8
121.10137	2.3
123.04443	4.9
123.11715	1.2
125.06004	13.6
127.03917	2.2
130.06567	0.6
131.04985	1.3
131.08566	1.5
133.06497	13.8
133.10121	3.1
135.04405	2.8
135.11681	2.6
137.05983	9.7
137.06953	0.9
137.09663	0.8
137.78937	0.6
141.06987	0.8
145.06500	3.5
145.10150	1.8
147.04417	25.7
147.08054	3.5
147.11699	2.7
148.80992	0.6
149.06015	5.2
149.13277	2.3
150.06778	0.9
151.03914	44.7
153.01820	0.6
155.08621	1.0
157.06499	1.3
157.64731	0.6
159.08075	2.4
159.11713	1.9
161.02916	0.7
161.13295	1.3
163.09666	0.6
163.14803	0.8
164.07100	0.7
165.05516	1.7
165.07008	2.7
171.08163	0.7
173.13298	1.0
175.14890	1.2
179.08592	0.8
182.07326	1.6
183.06554	1.6
183.08118	2.0
187.14938	0.6
190.19574	0.6
191.09402	0.8
192.09886	1.6
193.10544	1.2
194.07271	0.7
197.09621	1.8
201.08925	0.7
203.17961	1.3
207.08128	0.7
210.06815	2.1
211.07591	1.8
212.08356	1.0
215.10735	0.6
217.19705	0.6
219.12186	0.7
225.09119	3.0
228.07845	1.7
243.10188	50.1
250.14197	0.6
253.08617	10.3
271.09665	10.2
271.14307	0.7
271.24307	2.4
289.08368	0.8
289.11441	1.0
289.16309	3.3
289.25299	5.5
300.03635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.071
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
53.03890	1.3
55.01828	1.4
55.05433	1.9
55.05690	0.6
56.96498	1.8
56.96735	0.6
57.03376	0.8
57.07024	1.2
65.03883	1.2
67.05418	4.4
68.54578	0.5
68.99713	6.7
69.03367	1.1
69.06984	3.1
71.56672	1.0
79.05408	3.8
80.21348	0.7
81.03326	1.9
81.06969	7.4
83.04919	1.6
83.08533	1.2
84.04430	1.1
85.02856	1.2
85.06475	0.9
87.67244	0.6
91.05492	3.4
93.03329	0.9
93.06953	5.1
94.60459	0.6
95.04878	4.0
95.08611	6.2
97.02847	1.2
97.06438	0.8
97.10101	0.9
98.97507	2.5
101.00816	0.8
102.96919	0.6
105.07024	4.7
107.04967	11.1
107.08620	3.5
109.02836	1.4
109.06429	0.6
109.10171	3.1
111.00777	0.8
111.04452	7.7
111.07977	0.6
116.98551	0.8
117.06947	1.3
119.01871	1.1
119.04859	2.3
119.08614	3.0
119.09216	0.6
121.02814	1.1
121.10152	3.7
123.04442	66.2
123.05724	1.8
123.11625	1.9
124.03907	1.2
127.03930	24.5
129.06999	0.7
131.04849	1.5
131.08456	1.9
133.06473	0.8
133.10030	1.9
135.04439	17.5
135.11612	2.1
136.05136	0.9
136.08839	0.7
137.02258	2.6
137.05922	1.6
139.03920	18.2
139.11070	0.9
140.59993	0.7
141.06938	1.3
145.06499	1.3
145.10042	1.4
147.04303	1.3
147.11612	2.1
149.02362	4.8
149.05911	2.2
149.13176	2.1
150.03180	0.6
151.03918	42.4
152.06322	0.6
153.01860	14.6
155.03316	2.4
157.06462	0.7
159.04388	1.0
159.11658	1.8
160.05054	0.6
161.13176	2.1
163.03920	14.7
163.14806	1.5
164.06918	0.8
165.05319	0.8
167.03297	1.4
169.06427	1.6
173.06036	3.6
173.13197	1.1
175.07475	1.9
175.14751	0.7
177.05412	1.8
179.03418	37.4
183.04385	1.1
185.05899	0.8
187.03914	5.7
187.07552	1.1
187.14722	0.7
197.05988	4.1
201.05479	6.2
203.06932	1.8
203.08780	0.8
203.68178	0.7
215.05113	0.6
215.07094	9.2
215.09004	1.4
215.17763	0.7
217.10440	1.6
225.05470	1.8
228.61325	0.8
229.02296	0.8
229.04955	3.1
243.06407	3.4
247.11609	2.6
253.04970	0.9
261.07565	6.6
271.06042	78.9
271.24265	2.4
289.07108	100.0
289.16199	31.4
289.25171	7.6
305.14474	0.6
305.18793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.071
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
53.03942	0.9
55.01860	1.2
55.05505	2.4
56.96561	1.1
57.07071	0.9
63.48808	0.5
65.03944	1.8
67.05193	0.8
67.05505	4.8
68.99791	7.7
69.03443	1.0
69.07073	4.0
71.56644	1.0
72.20052	0.5
79.05486	3.3
81.03421	2.3
81.07059	8.3
83.04971	1.4
83.08618	1.6
84.04504	1.8
85.02897	1.1
85.06521	0.7
91.05488	4.0
93.03438	0.9
93.07036	4.6
94.38541	0.6
95.04966	4.0
95.08601	6.1
97.02882	0.7
97.06538	1.5
98.97590	2.2
101.00904	0.7
105.07006	3.7
107.04284	1.0
107.04962	11.6
107.08578	3.8
109.02878	2.4
109.06565	0.6
109.10162	3.4
111.00822	1.3
111.04453	7.5
111.08110	0.6
117.07050	1.2
119.04942	1.7
119.08585	2.4
121.02868	1.1
121.06527	1.1
121.10172	3.6
123.04436	59.8
123.11737	1.4
124.03934	1.5
127.03922	22.7
129.06990	0.7
131.04961	1.5
131.08626	1.4
133.10149	2.0
135.04434	14.1
135.11710	2.3
136.05249	0.8
137.02361	1.7
137.05962	1.8
139.03909	18.0
139.11154	1.1
141.06993	1.7
143.01917	0.8
145.06503	1.0
145.10124	1.4
147.04420	1.0
147.08043	1.2
147.11630	2.9
148.48071	0.6
149.02370	2.2
149.05981	1.8
149.13261	1.3
151.03912	41.1
153.01839	11.9
155.03436	1.0
157.52921	0.6
159.11664	1.2
161.05963	1.3
161.13277	1.7
163.03923	15.5
163.14822	0.7
169.06476	1.6
173.06058	3.0
173.13188	0.8
175.07588	1.1
175.14897	1.6
177.05495	1.8
179.03401	37.1
185.06018	0.8
187.00725	0.6
187.03909	5.5
187.14854	0.7
189.16228	0.9
197.06059	3.5
201.05518	6.9
201.16455	1.1
202.06332	0.6
203.03351	0.6
203.07056	1.5
214.08565	0.8
215.07057	7.4
215.08968	1.6
215.17958	1.2
216.10158	0.8
217.10538	1.0
225.05530	1.6
229.05006	2.7
243.06645	3.6
245.10120	0.7
246.11179	0.9
247.11665	2.6
261.07632	7.2
268.08353	0.8
271.06027	71.4
271.24249	1.1
289.07101	100.0
289.16190	31.0
289.25208	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	289.071
Annotation	Dalbergioidin
Peak:m/z	Relative Intensity
53.03931	1.4
55.01863	1.6
55.05507	1.8
56.96556	1.7
57.07089	0.8
58.38269	0.7
65.03942	2.5
67.05515	3.8
68.99798	7.9
69.03421	1.5
69.07055	2.2
69.27821	5.9
79.05499	4.1
79.45470	0.7
81.03413	2.7
81.07056	4.1
83.04980	2.6
83.05473	0.8
85.02899	1.1
85.06538	0.9
91.05494	6.1
93.03398	1.4
93.07076	4.0
93.07565	0.8
94.25508	0.8
95.01318	1.1
95.04977	4.6
95.08611	1.4
96.08139	0.8
97.02898	1.0
97.06533	6.1
98.20772	1.4
98.97594	1.9
99.04452	1.0
105.07024	3.6
107.04282	1.3
107.04961	15.4
107.08623	1.3
109.02839	2.0
109.06491	1.1
109.10151	1.2
111.04474	7.1
117.07015	1.3
119.01914	1.2
119.04929	3.4
119.08626	1.8
120.08079	1.2
121.02873	1.9
121.06532	1.8
121.10160	0.9
123.04442	63.6
124.07664	1.0
127.03928	27.5
129.06990	1.3
130.06520	1.4
131.04930	2.3
131.08572	1.2
133.10153	1.4
135.04436	18.2
136.05128	1.1
137.02336	2.5
137.05984	5.1
139.03911	20.3
141.06985	1.6
145.06482	1.9
145.10143	1.7
147.04382	1.0
147.08070	1.8
147.11685	1.1
149.02368	3.9
149.06024	1.8
151.03922	41.3
151.07466	1.0
152.37904	0.7
153.01833	16.7
153.09161	3.8
155.03452	1.1
157.06517	0.8
159.04431	1.4
161.05971	1.4
161.13260	1.0
163.03917	16.1
163.11176	1.5
164.07033	1.3
169.06464	2.4
173.05914	3.8
175.07553	1.8
175.11194	0.9
177.05490	2.1
179.03410	36.9
185.05952	1.0
187.03903	4.8
187.07552	1.1
189.03093	2.1
192.10228	0.8
193.10591	0.8
197.05913	3.1
201.05464	7.9
203.06984	2.6
204.59425	4.1
213.10609	1.1
215.07036	9.9
217.12186	1.3
219.06734	1.3
225.05481	1.8
229.04919	3.0
235.13298	1.4
240.04692	0.8
243.06535	4.4
253.14371	1.1
258.11230	1.4
261.07611	7.1
271.06042	74.7
271.10703	3.2
278.17889	0.8
280.63583	1.9
289.07040	100.0
289.14767	3.7
289.20032	2.7
289.25159	1.5
308.52539	0.7
312.12247	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	289.0705
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
55.01871	1.3
55.93429	0.7
56.96553	1.0
58.06588	1.3
58.68933	0.6
65.03931	1.0
65.66100	0.7
67.01876	1.2
68.99777	3.1
69.03428	0.7
69.66937	3.5
70.06578	1.4
81.03445	0.9
81.07005	1.0
84.04494	1.3
84.08131	1.0
91.05491	9.1
98.21383	1.4
98.97585	2.0
103.05433	0.8
107.04289	1.2
107.04955	16.5
111.00787	0.7
115.05450	0.8
119.04906	2.7
121.02882	7.5
123.04413	2.8
127.03911	3.2
131.04929	2.5
131.08623	1.1
135.04404	2.0
137.06010	1.9
139.03914	0.8
141.06975	2.7
145.02837	2.7
145.06482	1.3
147.04427	1.8
147.08047	1.8
149.02348	55.8
153.01836	27.2
153.02829	0.5
159.08035	1.1
163.03918	6.4
166.08542	1.0
167.03369	1.0
169.06506	5.5
171.02907	2.2
173.05911	1.6
179.03418	1.5
179.64392	0.7
187.03859	1.7
187.07565	1.9
197.05951	6.2
200.04765	0.9
201.05380	0.7
201.51184	0.7
214.09009	0.7
215.07033	65.6
223.81622	0.7
225.05417	1.7
243.06538	100.0
253.04938	1.8
260.06128	1.0
271.06042	40.5
289.06714	8.2
289.12561	1.7
289.16135	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	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
56.96552	1.9
57.03430	2.7
58.99872	1.8
61.02933	6.1
67.87447	0.8
69.03419	4.3
70.06599	5.6
70.71256	1.9
70.98090	1.1
70.99847	2.2
71.04970	1.2
72.08162	1.6
73.01408	1.1
73.02908	3.5
79.05480	1.3
80.05040	1.0
81.03420	3.0
81.04547	1.0
81.07038	1.4
82.99828	7.9
84.04496	1.3
84.08134	2.1
85.02915	13.4
87.04446	1.2
88.46126	1.0
89.00892	1.7
91.03888	1.0
91.06780	1.0
97.01402	6.5
97.02886	5.4
97.06525	3.9
98.97601	3.9
99.04466	1.2
101.00890	77.7
102.00966	1.2
103.02437	1.2
107.04943	1.4
107.52419	1.0
108.44573	0.9
109.02885	2.4
111.05572	2.3
113.00878	8.3
115.02442	28.5
117.03994	4.2
119.01930	100.0
120.01988	1.7
121.06506	4.3
123.04414	2.6
123.05538	1.5
126.98798	3.3
127.02434	2.4
127.03933	11.5
127.04977	1.7
128.98566	1.2
129.00365	1.2
129.03983	9.1
131.01921	20.0
133.03471	33.7
133.06126	1.0
135.05020	2.0
137.02963	11.6
137.06006	2.0
138.09091	1.7
139.02434	1.7
141.06604	3.9
142.03470	2.7
143.01915	25.7
144.01981	1.3
144.99867	5.1
145.01707	1.0
145.03468	6.8
145.04964	1.9
147.01414	2.4
147.05034	11.8
149.02943	2.5
152.05679	1.1
155.01917	2.2
157.03503	5.9
158.02632	1.2
159.01405	2.7
161.02971	47.0
163.04550	1.7
165.07570	1.0
168.99818	17.5
171.01363	7.2
172.99336	1.3
173.02942	11.7
173.04297	1.2
174.99037	1.1
175.00867	2.8
175.04553	2.4
177.02545	1.5
179.03992	1.6
185.01297	1.0
185.02913	4.0
186.03508	1.3
187.00891	37.5
187.04491	2.2
189.00764	1.8
189.02429	12.6
190.03963	1.2
191.02481	1.3
191.03992	7.1
195.05141	1.2
196.99324	10.8
197.02992	0.9
198.02901	1.2
198.55701	2.0
199.00879	9.5
199.13130	3.3
201.02481	7.3
203.04063	3.4
205.01971	11.9
205.03693	1.9
207.01654	1.1
207.03445	3.3
207.56299	1.2
215.00388	48.0
217.01965	14.9
217.05458	1.1
219.03465	9.3
221.04985	2.8
223.02925	1.3
226.05333	1.0
227.02077	1.9
227.04111	1.4
229.00067	1.2
229.01965	13.6
229.12976	1.0
229.15482	2.7
230.15816	1.8
231.03529	3.2
233.01416	3.9
238.01942	1.9
239.06078	2.8
239.13872	1.3
247.03018	47.3
257.01492	2.1
259.03018	2.0
265.04135	9.7
271.06256	1.3
271.11630	1.5
271.16617	2.8
277.03998	3.4
289.03922	11.2
289.06567	1.8
289.12537	9.0
289.15292	2.7
307.05069	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	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.8
55.01842	2.1
55.76884	1.4
56.96569	6.3
61.02923	2.3
69.03430	1.6
70.06590	7.4
70.99852	2.7
71.04050	1.7
71.06918	1.5
72.08137	2.3
73.02934	1.4
82.99821	10.9
84.04491	1.5
84.08134	3.5
84.96043	1.5
85.02926	6.3
86.09702	1.6
86.21258	1.2
91.05502	1.5
91.45537	1.1
93.07028	2.4
95.01349	1.3
97.01385	5.1
97.02888	3.0
98.97587	7.5
101.00887	79.7
101.14607	1.1
103.05466	1.6
109.02892	1.2
110.07150	1.2
110.97557	1.4
112.99160	1.2
113.00858	9.9
115.00557	1.1
115.02448	21.6
116.07014	1.7
116.98620	3.4
117.04010	1.5
119.01928	100.0
120.02001	1.5
121.06505	57.2
126.98807	2.2
127.03926	3.4
127.05016	1.6
129.00371	2.1
129.04030	5.7
131.01913	18.8
133.03474	39.2
137.02956	12.1
138.09132	15.9
143.01913	22.0
144.99780	3.4
145.03448	5.8
147.01366	4.7
147.05023	7.1
149.02963	4.8
151.04507	5.6
152.05670	10.9
152.07021	3.1
155.01903	2.4
157.03474	5.4
158.99660	1.2
159.01422	3.2
161.02966	50.9
162.03192	1.3
167.01923	1.1
168.99843	14.0
171.01393	13.3
171.10188	1.3
173.02974	12.5
174.99170	1.2
175.00873	3.4
175.02776	1.5
175.04425	2.2
177.02451	2.1
178.04955	2.5
179.02405	1.3
179.03992	3.2
180.99886	1.9
183.09981	1.1
184.10881	1.7
185.02975	8.9
187.00887	31.6
189.00937	1.7
189.02457	11.6
191.04019	10.9
193.05714	1.2
196.99388	5.9
198.02544	1.1
198.12506	1.2
199.00882	20.2
199.13089	8.2
201.02495	7.0
203.04034	3.3
205.01953	14.9
207.03467	3.6
211.02563	1.3
215.00374	27.9
217.01949	33.8
219.03517	15.0
221.05228	1.2
223.02971	2.0
225.10977	2.3
226.05342	3.8
227.12605	1.5
229.01978	12.7
229.15498	2.8
230.15819	3.3
231.03450	3.5
233.01439	4.3
235.02962	3.1
245.01399	2.4
247.03003	32.3
253.05951	1.3
257.01624	2.6
259.02991	4.1
263.02716	1.2
265.04077	9.0
271.11517	3.8
271.14246	1.5
272.05865	1.8
272.12885	1.3
275.02567	1.3
277.04068	5.0
289.04044	23.2
289.08292	4.1
289.12500	13.1
289.15604	4.0
289.20569	1.9
293.66205	1.3
307.05106	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	288.1229
Annotation	(S)-Norlaudanosoline
Peak:m/z	Relative Intensity
53.03946	0.8
55.01870	0.9
56.96554	2.8
57.03426	0.9
58.06619	0.6
60.05649	1.5
61.02920	1.5
63.89494	0.6
69.03429	2.4
69.66818	1.1
69.67228	2.5
70.03793	0.5
70.06594	6.4
72.08150	4.2
77.03950	0.7
81.03410	0.8
83.29864	0.5
84.04494	1.0
84.08177	1.3
85.02900	7.6
86.09705	2.5
87.04466	1.1
91.05475	3.2
95.04976	2.2
97.02879	2.6
98.21529	1.1
98.97601	4.5
105.03397	1.5
105.07026	1.5
107.04960	1.4
109.02876	1.0
115.05452	12.0
116.07037	0.7
116.98640	2.1
119.04938	1.7
121.06477	1.1
122.02636	0.9
123.04429	95.9
124.03928	1.4
127.03913	1.7
131.04889	0.7
133.06505	2.4
134.99599	0.8
136.07561	0.8
137.05980	6.7
143.04922	31.0
145.04996	0.8
149.00580	1.0
149.05946	1.1
152.07072	0.9
156.11325	0.7
158.99762	0.8
161.05991	42.1
162.06752	1.4
164.07069	100.0
165.07321	0.6
167.07039	0.8
168.06548	0.6
170.97435	0.6
175.11903	1.9
177.00667	2.2
179.08519	1.9
181.03177	2.7
189.02518	1.0
195.01617	0.9
198.12753	0.7
207.08035	2.2
210.06807	0.7
225.09158	2.1
229.15465	5.8
235.01318	0.7
235.07541	1.7
237.02704	0.7
251.97440	0.6
253.08580	3.7
256.12466	2.4
265.02316	0.9
271.09653	23.5
271.17416	1.1
288.12283	78.8
288.20248	4.9
289.12451	1.1
297.02679	1.4
297.08075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2688
Annotation	Irniine
Peak:m/z	Relative Intensity
51.80895	0.6
55.05514	1.2
56.08959	0.6
56.96556	1.5
57.07084	6.1
58.06591	1.0
70.06599	8.7
71.08633	4.0
71.56890	1.1
72.45207	0.6
81.07058	1.1
85.10181	1.6
88.07636	12.2
102.09164	1.8
106.08668	10.7
115.30952	0.7
118.06555	5.9
132.08090	2.5
133.08873	1.1
137.05974	1.0
146.09651	7.0
160.11221	0.8
184.03189	0.7
188.14368	1.6
202.15945	1.9
216.17485	4.9
218.19055	39.7
230.18967	1.2
237.65613	0.7
240.63515	0.7
265.12875	1.8
270.27896	3.2
272.12961	0.6
288.05939	0.9
288.09216	1.6
288.19949	2.9
288.26828	100.0
288.29208	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0846
Annotation	Tenofovir
Peak:m/z	Relative Intensity
52.44382	1.0
56.96560	2.0
57.03420	1.3
58.06604	2.1
67.09006	0.9
69.07060	1.4
70.06602	6.6
71.56931	1.5
79.05486	2.0
81.07071	1.4
84.04506	1.9
84.08146	1.3
85.02911	1.3
86.09696	1.9
87.82838	0.9
91.05515	4.9
93.07040	1.2
94.06583	1.1
95.06926	1.1
97.02935	1.1
97.06556	1.3
98.97586	1.6
107.04939	2.3
107.08569	2.5
116.59164	1.0
119.04919	1.2
119.21426	0.9
120.08158	1.6
122.06049	1.5
124.03742	2.0
125.82959	1.0
130.06441	1.1
133.10178	1.2
137.05968	3.9
138.06297	1.2
140.07132	1.3
146.11757	1.6
148.07617	1.8
149.07968	2.0
151.07483	1.0
152.03171	1.1
153.01819	1.5
158.09544	1.4
159.04210	2.2
170.04271	2.2
175.11920	1.0
184.07564	1.2
196.08380	1.1
197.05920	1.1
200.10684	2.2
228.11078	2.4
243.06619	1.4
256.10153	1.8
270.04623	1.0
270.07315	1.4
270.13394	1.7
271.09885	1.7
288.08444	100.0
288.12210	5.7
288.15558	2.2
288.20242	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01622	0.7
55.01873	9.7
55.05515	7.9
57.03444	2.1
58.76757	0.4
65.03951	0.4
67.01850	1.0
67.05506	8.5
68.81646	0.4
68.99796	1.2
69.03428	1.5
69.07067	2.5
70.22653	0.7
70.23048	0.8
70.84908	0.4
71.04993	11.9
79.05497	5.6
80.57451	0.3
81.03418	1.5
81.07063	7.4
83.04971	0.9
83.08620	4.2
85.06547	2.0
87.04471	4.4
90.43900	0.3
90.44576	0.5
91.05491	2.9
93.07063	4.7
95.04965	0.6
95.08613	3.5
97.06535	61.7
97.10168	6.1
98.97588	1.3
101.06039	0.4
105.07048	1.3
107.04976	0.6
107.08581	4.2
109.06512	0.5
109.10160	6.3
111.08094	1.6
117.07039	2.0
119.08580	0.5
121.06501	0.9
121.10152	1.1
123.04475	1.7
125.09626	2.5
131.08556	2.4
133.10136	2.2
135.04419	3.9
135.08060	2.2
135.11679	1.3
137.02338	0.9
137.05983	0.5
147.11646	0.4
147.43872	0.4
149.13290	1.6
153.01837	9.9
156.33972	0.4
159.11639	2.0
161.02397	0.8
163.03906	0.4
167.14339	0.5
171.02905	0.6
177.12747	2.9
179.03436	1.0
179.55051	0.4
181.31828	0.4
185.05972	0.5
187.47887	0.3
189.11215	0.7
195.13817	22.9
196.14178	0.4
213.05498	0.4
213.14853	11.1
241.05000	1.3
257.08505	0.5
263.45740	0.4
269.04333	0.5
269.17484	7.1
287.05511	100.0
287.18518	26.4
288.05814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.8
55.02139	0.4
55.05510	3.3
55.30321	0.2
56.96555	0.7
57.03434	0.8
63.53450	0.2
65.03925	0.3
67.01871	2.3
67.05169	0.4
67.05507	5.6
68.99790	1.3
69.03432	0.8
69.07084	1.3
71.04993	5.7
71.56228	0.4
72.00256	0.2
77.06065	0.3
79.05493	4.1
81.03413	1.0
81.07059	4.6
83.04989	0.6
83.08609	1.1
85.02908	0.4
85.06545	1.2
87.04469	2.4
89.03944	0.5
91.05483	4.1
93.07040	3.4
95.04980	1.4
95.08608	2.1
97.06534	36.8
97.10154	1.7
98.97588	1.1
105.07021	1.4
107.04974	1.5
107.08607	2.5
109.06519	0.7
109.10159	4.0
111.04463	1.0
111.08064	0.9
113.05969	0.3
116.98622	0.5
117.03389	0.7
117.07009	1.2
119.04954	4.8
119.08591	0.8
121.02886	0.2
121.06501	0.8
121.10129	1.1
123.04437	8.0
124.03944	0.5
125.09636	0.9
128.98584	0.3
129.06934	0.4
131.08533	1.2
133.10106	1.3
135.04419	4.4
135.08051	1.2
135.11684	0.6
136.07666	0.4
137.02327	0.9
137.05991	2.9
145.10121	0.5
147.04414	14.1
147.11659	0.4
148.07578	0.2
149.02342	0.7
149.13249	1.3
153.01842	10.4
153.05481	1.1
157.10141	0.3
159.11743	1.6
161.02298	1.1
161.05956	0.2
163.03856	1.2
164.07115	0.9
165.05502	0.6
167.03410	23.7
168.03677	0.3
171.02954	0.8
177.05522	0.4
177.12807	1.7
179.03433	0.5
184.07323	0.2
185.04495	0.4
187.14746	0.3
189.05461	0.4
193.04967	0.4
195.13817	14.4
201.00807	0.3
201.16385	0.5
209.05937	0.9
213.05421	0.6
213.09071	0.3
213.14819	3.4
231.06488	0.5
241.04985	1.5
241.08626	0.6
245.06917	0.6
259.05563	1.8
259.09686	1.8
263.08145	0.4
269.04501	0.7
269.08084	0.6
269.12888	0.5
269.17419	2.5
287.05432	100.0
287.09033	24.8
287.14258	1.5
287.18488	16.6
287.23682	1.0
288.05734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79239	1.8
55.05516	25.3
57.03442	24.0
57.07063	6.5
58.24088	1.8
59.04982	2.1
62.33543	1.9
67.05231	1.8
67.05511	19.3
69.06728	3.3
69.07072	45.2
70.81498	4.5
71.04985	6.9
71.08649	2.5
73.06519	2.5
77.36628	2.2
79.05500	14.4
81.07064	29.5
83.04961	4.3
83.08629	47.0
85.06563	3.3
91.05477	4.5
93.07050	32.2
95.08611	14.9
97.06530	18.1
97.10146	9.3
101.05995	2.8
105.07005	2.5
107.08596	26.1
109.10156	8.6
111.08077	14.6
115.07568	3.2
117.06992	2.1
118.31986	1.8
121.10143	11.1
123.11714	6.4
125.09634	4.4
131.08571	3.8
133.10117	3.0
135.04417	2.1
135.11722	4.8
149.13274	63.1
159.11703	9.3
163.03896	8.5
167.14346	29.6
169.94455	1.9
177.12743	6.6
185.15292	4.4
195.13812	4.9
197.28487	2.0
213.14839	2.5
231.15924	87.2
231.18234	4.2
259.83646	2.2
269.17545	6.0
287.05432	6.3
287.08560	3.2
287.18536	100.0
296.04059	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01867	2.2
55.05512	18.2
56.96570	3.6
57.03439	18.2
57.07074	5.0
59.04982	0.7
65.03934	2.6
67.01868	5.2
67.05507	17.2
68.99780	1.5
69.03430	1.8
69.07070	33.8
71.04990	4.9
71.08630	2.5
72.31415	0.6
73.06551	1.6
79.05498	9.8
81.03414	1.1
81.07061	25.0
83.04984	4.7
83.08622	32.3
85.02900	1.3
85.06554	2.7
85.10178	0.7
86.09693	0.7
89.73657	0.6
91.05484	25.7
92.05823	0.7
93.07050	24.7
93.07634	1.4
95.04977	3.3
95.08044	1.1
95.08608	14.6
97.06535	12.5
97.10168	7.1
98.97591	3.9
99.04433	1.2
99.08086	1.5
99.47520	0.6
101.06017	1.5
105.07021	4.1
107.04973	3.9
107.08599	19.5
109.06489	1.4
109.10155	7.5
111.04428	3.5
111.08077	9.2
113.01173	0.6
113.02259	0.7
113.06031	0.7
115.07575	2.4
116.98614	1.2
117.07011	2.7
117.15702	0.6
119.04948	17.2
119.08581	3.6
119.24987	0.6
121.06485	1.0
121.10146	10.9
123.04436	4.1
123.11736	3.0
125.09634	3.5
125.13245	1.9
128.98569	0.8
129.09146	0.9
131.08568	2.5
133.10139	3.9
135.04396	1.0
135.11682	5.0
136.53923	0.6
137.05997	3.6
143.00175	1.0
143.08571	1.2
145.10146	1.7
147.04416	51.3
147.11755	1.4
149.13266	39.0
152.98627	0.8
153.01752	0.8
153.05466	0.9
157.10190	0.8
158.99687	0.7
159.11694	8.3
161.13235	1.5
163.03905	5.3
165.05479	0.7
167.03407	100.0
167.14320	20.6
170.10037	0.6
171.11719	0.7
177.12776	4.0
185.04446	4.0
185.13220	0.6
185.15338	1.1
189.05495	1.3
190.03886	1.2
193.04996	1.7
195.13818	4.0
199.14828	1.0
201.00768	0.7
201.16393	1.3
209.05989	2.0
213.14888	2.4
213.16661	0.7
219.01668	0.9
226.03935	0.7
226.06239	1.1
229.00279	0.9
231.15915	58.3
241.08640	1.4
259.09729	0.9
269.08136	1.9
269.17462	3.3
269.22729	1.8
287.05658	8.5
287.09131	94.9
287.18521	67.4
287.23755	4.3
288.09579	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.5
55.05513	5.1
56.05033	7.3
56.96572	4.7
58.06610	2.3
60.04534	2.9
63.00040	1.6
64.88549	1.2
66.66553	1.3
67.05505	21.9
68.05038	4.5
69.03429	4.9
69.07072	4.5
69.16482	1.3
70.02957	15.1
70.06253	1.6
70.06602	18.7
71.05002	3.2
71.06915	2.3
71.55192	2.1
72.04527	1.9
72.08163	9.6
73.02928	2.4
79.05505	5.6
80.05039	3.4
81.03376	1.6
81.07050	8.8
81.63837	1.4
82.06586	3.1
82.13787	1.2
82.87322	1.3
83.04961	3.0
84.04493	7.4
84.08148	9.8
85.02916	5.0
86.09698	9.1
87.04469	10.7
87.05595	15.7
87.10085	1.4
88.03997	5.0
88.04816	5.3
91.05477	9.1
93.07062	8.2
94.06591	2.8
95.01376	1.4
95.04979	3.2
95.08615	13.7
96.04498	8.1
96.08148	1.7
97.02950	1.8
97.06554	5.4
98.06082	3.3
98.97590	6.1
99.00836	1.4
99.04487	2.0
100.03960	2.4
103.05501	2.1
105.07025	3.2
106.06586	1.6
107.04980	3.5
107.08606	3.1
108.04482	18.0
109.02906	2.0
109.05267	1.9
109.06550	2.0
109.10159	23.8
110.06054	1.7
110.09711	2.5
112.02234	2.6
116.07126	3.7
116.98606	1.9
117.07426	1.5
119.08584	8.1
120.08138	3.5
121.02872	2.4
121.06489	2.7
122.06036	3.4
122.09714	2.4
123.04438	6.6
124.03959	9.4
124.07613	1.7
125.04338	5.9
125.06046	1.6
126.05551	4.0
128.09021	2.9
129.10239	3.2
130.05014	2.2
131.04958	1.9
133.06227	1.6
133.10214	1.6
135.04425	1.6
135.08109	3.8
136.07602	5.1
136.11223	10.2
137.06001	9.7
137.09613	25.4
137.10597	2.1
138.12846	1.9
140.01666	3.3
145.06505	1.6
145.10222	1.5
146.06035	2.4
147.04373	1.9
148.07518	1.5
149.05971	1.5
153.01938	2.0
153.05493	1.6
154.05006	3.2
154.12273	13.8
156.08614	1.7
157.06517	1.8
158.99611	1.8
162.12819	2.1
164.10742	10.6
166.08707	2.3
166.12318	4.7
167.07140	4.4
172.13319	18.5
173.03018	1.4
173.11763	5.5
178.12242	13.9
180.13840	29.4
182.11769	9.4
183.02913	2.2
184.13405	5.3
188.10672	8.4
190.95454	2.5
192.09018	3.9
193.08789	1.9
195.06514	3.0
196.13431	1.7
198.15036	3.8
206.11781	55.6
209.11508	2.1
210.09505	1.7
210.11235	7.2
220.08531	2.5
220.12685	4.5
223.09590	1.9
223.14525	4.0
224.12825	47.3
228.12418	4.3
229.10690	1.7
237.11130	3.0
238.13759	2.4
239.09195	2.6
240.09851	1.9
241.13243	2.8
241.15520	20.7
242.13857	16.0
243.17146	2.6
252.12428	4.5
253.10619	4.1
254.11662	2.5
255.12128	36.0
255.14696	2.4
259.10471	2.3
263.25458	1.5
269.04556	2.3
269.15045	2.6
270.13321	2.8
287.05389	23.3
287.10370	7.6
287.16135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0916
Annotation	7,2'-dihydroxy-4',5'-methylenedioxyisoflavan
Peak:m/z	Relative Intensity
51.02378	0.2
53.03933	0.2
55.01870	0.7
55.05507	0.4
56.77928	0.1
56.96564	0.4
57.07071	0.2
65.03953	0.6
67.05510	4.3
68.99801	0.9
69.03433	0.2
69.07069	0.6
69.28539	1.4
71.04999	0.3
79.05498	0.6
81.07064	1.1
83.04988	0.3
83.08623	0.1
84.96007	0.1
86.09769	0.2
91.05480	1.7
93.07033	0.9
95.04359	0.3
95.04976	6.2
95.08621	1.0
97.06512	0.3
98.97578	0.5
103.05487	0.2
105.04523	0.2
105.07013	0.7
107.04962	0.6
107.08605	0.8
109.06522	0.3
109.10194	0.8
109.10817	0.1
111.04483	0.3
113.30798	0.1
117.06966	0.2
119.04959	0.7
119.08608	0.8
121.06511	1.0
121.10149	0.5
123.04433	100.0
123.11656	0.3
124.04758	0.3
125.06005	0.3
127.03896	0.1
129.07022	0.1
131.08577	0.3
133.10124	0.5
135.04440	0.7
135.11737	0.3
137.06009	0.9
139.03900	0.6
141.05455	1.1
143.08585	0.3
145.10141	0.5
147.04416	14.3
147.11668	0.5
148.05154	0.5
149.05962	0.5
149.13257	0.4
151.03871	0.2
153.05476	17.1
157.06540	0.1
157.10156	0.4
159.11729	0.7
161.13228	0.2
163.03905	1.3
165.05515	1.4
167.03427	0.5
171.11673	0.2
172.07680	0.1
173.13219	0.4
175.14737	0.2
177.05489	1.6
177.06863	0.2
178.06169	0.2
181.06500	0.2
185.13306	0.2
187.07526	0.3
187.14816	0.1
189.05518	0.3
189.16269	0.2
193.05011	0.8
199.08659	0.5
199.14865	0.2
201.16452	0.8
202.08655	0.2
209.06044	0.3
213.05482	0.3
213.09077	0.2
213.16325	0.2
215.17981	0.2
217.09904	0.2
223.12614	0.2
226.06313	0.2
227.06993	0.3
227.11761	0.2
229.08638	0.6
229.19484	0.2
231.79716	0.1
241.08374	0.2
245.08046	0.2
255.06482	0.6
256.53580	0.2
257.08130	0.4
259.09744	0.5
269.08069	0.5
269.12820	1.0
269.22614	0.6
272.06702	0.3
287.05658	1.2
287.09140	17.9
287.13812	2.5
287.23706	1.6
288.09448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35567	0.7
52.53460	0.7
53.03933	1.6
55.01854	2.3
55.05516	1.3
56.96541	1.5
57.03437	0.9
57.73035	0.7
65.03936	1.0
67.05511	3.5
68.99797	6.5
69.07076	3.8
71.04964	0.9
79.05510	3.9
81.03412	1.7
81.07055	10.0
83.08622	0.8
85.02896	1.4
91.05482	10.8
93.07043	8.4
95.04983	3.3
95.08627	4.4
97.06536	0.7
98.97558	1.7
103.05473	4.5
105.07060	4.0
105.07642	1.0
107.04962	20.9
107.08580	3.0
109.06488	2.4
109.10131	3.1
111.04422	0.9
113.02340	1.9
116.98591	1.0
117.06978	0.9
119.01865	0.6
119.04956	7.6
119.08583	6.7
121.02899	1.1
121.05669	1.0
121.06516	18.6
121.10147	2.9
123.04430	11.7
123.08008	0.9
123.11702	1.6
125.05958	1.3
127.11182	0.9
129.07007	1.6
131.08571	1.8
133.10153	3.4
134.03606	1.9
135.04424	20.4
135.11690	1.5
137.02336	1.0
137.05014	1.1
137.05983	16.8
141.05470	1.6
143.08508	1.5
145.07367	0.6
145.10083	3.1
147.04422	17.6
147.11671	2.8
148.05190	2.0
149.05994	21.7
149.13344	1.7
150.03091	1.3
151.03877	0.8
153.05511	4.7
153.06697	0.9
157.06474	0.9
157.10129	1.7
159.07852	0.8
159.11671	3.5
161.06010	0.9
161.13260	1.0
162.03107	0.8
163.03918	66.8
165.04182	0.9
165.05498	15.8
167.03482	4.6
171.11662	1.9
173.13290	1.2
175.03909	1.8
175.14787	1.0
177.05482	6.9
178.02596	3.2
178.06268	6.4
181.04980	1.6
181.06442	1.3
185.05940	1.6
185.13216	1.6
187.07565	1.3
187.14825	1.1
189.16374	1.0
190.95418	0.8
193.04982	45.5
198.08040	0.9
199.07524	2.3
199.14790	1.7
201.16434	4.5
202.95062	0.7
203.06996	1.2
209.05927	2.7
212.04903	0.7
213.05466	1.0
213.16479	1.5
217.08687	0.9
223.54466	0.7
226.06190	1.2
227.06958	3.0
227.17993	0.8
229.05025	1.1
232.96399	1.3
237.02789	0.9
239.07056	1.2
241.08594	2.2
255.06476	1.9
256.07397	2.0
257.04443	6.8
259.09689	17.0
259.24152	1.0
269.04346	1.0
269.08057	2.5
269.22617	3.0
272.06769	9.0
287.05615	6.1
287.09122	100.0
287.23669	8.8
287.26993	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	Vestitone
Peak:m/z	Relative Intensity
50.35567	0.7
52.53460	0.7
53.03933	1.6
55.01854	2.3
55.05516	1.3
56.96541	1.5
57.03437	0.9
57.73035	0.7
65.03936	1.0
67.05511	3.5
68.99797	6.5
69.07076	3.8
71.04964	0.9
79.05510	3.9
81.03412	1.7
81.07055	10.0
83.08622	0.8
85.02896	1.4
91.05482	10.8
93.07043	8.4
95.04983	3.3
95.08627	4.4
97.06536	0.7
98.97558	1.7
103.05473	4.5
105.07060	4.0
105.07642	1.0
107.04962	20.9
107.08580	3.0
109.06488	2.4
109.10131	3.1
111.04422	0.9
113.02340	1.9
116.98591	1.0
117.06978	0.9
119.01865	0.6
119.04956	7.6
119.08583	6.7
121.02899	1.1
121.05669	1.0
121.06516	18.6
121.10147	2.9
123.04430	11.7
123.08008	0.9
123.11702	1.6
125.05958	1.3
127.11182	0.9
129.07007	1.6
131.08571	1.8
133.10153	3.4
134.03606	1.9
135.04424	20.4
135.11690	1.5
137.02336	1.0
137.05014	1.1
137.05983	16.8
141.05470	1.6
143.08508	1.5
145.07367	0.6
145.10083	3.1
147.04422	17.6
147.11671	2.8
148.05190	2.0
149.05994	21.7
149.13344	1.7
150.03091	1.3
151.03877	0.8
153.05511	4.7
153.06697	0.9
157.06474	0.9
157.10129	1.7
159.07852	0.8
159.11671	3.5
161.06010	0.9
161.13260	1.0
162.03107	0.8
163.03918	66.8
165.04182	0.9
165.05498	15.8
167.03482	4.6
171.11662	1.9
173.13290	1.2
175.03909	1.8
175.14787	1.0
177.05482	6.9
178.02596	3.2
178.06268	6.4
181.04980	1.6
181.06442	1.3
185.05940	1.6
185.13216	1.6
187.07565	1.3
187.14825	1.1
189.16374	1.0
190.95418	0.8
193.04982	45.5
198.08040	0.9
199.07524	2.3
199.14790	1.7
201.16434	4.5
202.95062	0.7
203.06996	1.2
209.05927	2.7
212.04903	0.7
213.05466	1.0
213.16479	1.5
217.08687	0.9
223.54466	0.7
226.06190	1.2
227.06958	3.0
227.17993	0.8
229.05025	1.1
232.96399	1.3
237.02789	0.9
239.07056	1.2
241.08594	2.2
255.06476	1.9
256.07397	2.0
257.04443	6.8
259.09689	17.0
259.24152	1.0
269.04346	1.0
269.08057	2.5
269.22617	3.0
272.06769	9.0
287.05615	6.1
287.09122	100.0
287.23669	8.8
287.26993	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0916
Annotation	Vestitone
Peak:m/z	Relative Intensity
53.03937	0.8
55.05503	0.6
56.96553	0.8
61.30763	0.3
65.03935	0.7
67.01861	0.6
67.05501	1.5
68.99795	1.0
69.03428	0.4
69.07071	1.5
71.04988	1.0
71.34882	0.3
73.51286	0.4
79.05503	1.4
81.03432	0.4
81.07063	3.3
83.04990	0.6
89.03923	0.5
91.05482	3.4
92.02615	0.7
93.07049	2.3
95.04973	1.0
95.08618	2.2
97.06508	0.7
97.10140	0.4
98.97598	1.4
99.08141	0.4
105.07020	2.9
107.04970	1.4
107.08620	2.3
109.06514	0.6
109.10165	1.6
110.97576	0.4
111.04427	0.9
116.98622	0.7
117.03377	0.8
117.07043	0.5
119.04944	5.1
119.08583	3.2
121.10149	1.7
123.04406	0.8
123.08057	0.4
123.11681	0.9
127.11227	0.8
131.00221	0.5
131.08514	1.0
133.10124	1.5
135.04424	19.4
135.07967	0.4
135.11676	0.8
137.02368	4.1
137.05998	3.6
139.03879	0.3
141.06932	0.4
143.08546	0.8
145.02773	0.7
145.10129	2.7
147.04411	12.7
147.11693	1.8
149.01175	0.4
149.05923	0.5
149.13304	0.6
151.03914	0.8
152.01103	0.5
153.01846	5.5
153.06935	0.3
157.10150	1.3
159.11670	2.3
161.02380	0.7
161.05972	0.4
161.13226	0.7
163.03912	100.0
167.03410	8.3
167.04729	0.2
168.05685	0.6
171.08040	0.8
171.11673	0.8
173.13268	1.2
175.14801	0.4
177.00763	0.4
177.05533	1.6
183.02992	0.4
183.04468	2.1
184.05190	0.6
185.06009	0.5
185.13268	0.7
187.14748	0.5
198.06743	3.5
199.07545	1.0
199.14900	0.7
201.16396	4.1
203.17975	0.5
211.03934	1.1
213.05466	0.6
213.09171	0.8
213.16304	0.6
215.18024	0.4
216.07826	0.8
223.03938	0.4
226.06256	15.9
227.06985	2.0
227.11780	0.5
227.17928	0.6
231.10083	0.7
231.17499	0.5
241.08600	24.3
254.05875	0.7
255.06555	0.6
257.08282	0.4
259.09686	8.3
269.08093	27.4
269.12793	0.7
269.22574	1.9
287.05515	57.2
287.09109	23.6
287.13882	1.8
287.20389	0.4
287.23660	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	287.0916
Annotation	7,2'-dihydroxy-4',5'-methylenedioxyisoflavan
Peak:m/z	Relative Intensity
51.02381	0.2
53.03944	0.5
55.01874	0.6
65.03945	0.6
67.05174	0.3
67.05510	4.3
68.99792	0.8
69.07056	0.2
69.32944	1.5
71.04971	0.2
73.23268	0.2
79.05503	0.6
81.03417	0.4
81.07052	0.7
83.08627	0.2
91.05503	1.3
93.07050	0.6
94.04155	0.2
95.04977	6.1
95.08588	0.5
97.06512	0.3
98.97578	0.4
105.07034	0.6
107.04979	0.8
107.08587	0.6
109.06494	0.3
109.10159	0.2
119.04945	0.7
119.08601	0.5
121.06483	0.8
121.10190	0.3
123.04434	100.0
124.04826	0.3
125.06020	0.3
131.08583	0.3
133.10124	0.5
135.04402	0.8
135.11682	0.4
137.06006	1.2
139.03856	0.6
141.05457	1.4
143.08571	0.3
145.10114	0.4
147.04419	13.4
147.11710	0.3
148.05194	0.5
149.05988	0.5
153.05473	16.4
157.06578	0.2
157.10112	0.2
159.11684	0.4
161.05988	0.2
162.03101	0.2
163.03902	1.5
165.05495	1.6
167.03448	0.4
173.13242	0.2
177.05486	1.7
187.07594	0.3
193.05002	0.8
199.14709	0.2
201.16417	0.8
203.06985	0.2
227.06990	0.2
229.08568	0.2
238.11029	0.2
241.08626	0.3
245.08266	0.2
255.06554	0.4
257.04474	0.3
259.09616	0.5
269.08188	0.3
269.12830	0.7
269.22665	0.5
287.09140	16.7
287.13705	1.3
287.23737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	3-Deoxysappanone B
Peak:m/z	Relative Intensity
53.03933	2.3
55.05496	4.0
56.50498	1.0
56.96550	3.3
57.03432	1.3
57.07077	5.3
65.03931	1.3
67.05487	4.0
68.02649	12.5
68.99772	1.3
69.03431	1.6
69.07073	5.3
71.26844	1.0
71.55439	1.2
79.05470	4.2
80.78662	1.0
81.03426	7.0
81.06647	1.0
81.07066	10.7
83.04984	69.5
83.08620	1.7
84.17909	1.1
85.02895	2.6
89.03904	3.6
90.35583	1.0
91.05476	4.3
93.07059	7.1
95.04960	2.0
95.08604	7.6
95.27629	1.1
97.06510	2.0
97.10170	1.1
97.79318	1.1
98.97558	3.8
105.07028	7.8
107.04944	4.4
107.08598	7.1
109.02849	1.5
109.06499	1.9
109.10149	4.5
111.04446	14.8
113.06020	1.6
116.98546	1.1
117.03390	12.5
117.07033	1.1
119.04947	2.6
119.08583	5.7
121.06483	1.2
121.10128	6.5
123.04413	4.5
123.11646	2.0
129.07048	2.6
131.08557	3.2
133.10136	2.6
134.03615	1.4
135.04413	3.0
135.08084	1.6
135.11665	3.2
137.02341	78.5
137.05954	14.9
139.03911	5.0
143.08551	1.9
145.02852	20.3
145.10123	3.6
147.04337	2.3
147.11653	2.6
149.05974	4.2
149.09619	1.6
149.13243	1.5
151.03897	2.8
151.07550	1.4
153.05461	1.2
155.03404	3.2
157.04971	91.9
157.10127	1.9
159.11658	3.2
161.13159	2.0
162.03099	1.1
163.03902	16.4
163.07535	2.2
167.03453	5.5
171.11745	2.4
173.13226	3.0
175.01622	7.3
175.03899	23.1
175.14807	2.0
177.00760	1.1
177.05472	30.3
177.06790	2.6
179.75198	1.1
181.06407	1.3
183.02818	1.8
183.79179	1.3
185.13298	1.7
189.16359	1.4
190.95395	1.9
199.15060	1.8
201.16351	2.8
209.05972	1.9
213.16383	1.5
215.17770	1.3
226.06346	2.4
227.18140	1.7
227.64070	1.2
229.19556	1.3
231.07690	3.1
231.17369	1.2
232.96533	2.0
241.00235	1.2
241.08586	4.3
259.09665	5.3
269.08176	5.1
269.22690	4.1
269.66837	1.1
272.06781	1.3
287.05527	11.6
287.09106	100.0
287.20068	4.0
287.23679	11.3
288.12070	1.3
306.85220	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	3,7-Dihydroxy-6-methoxyflavanone
Peak:m/z	Relative Intensity
53.03945	0.5
55.01859	1.2
55.05506	1.0
56.96553	1.2
62.29830	0.3
66.41124	0.3
67.01858	1.2
67.05510	2.1
68.99795	2.4
69.03411	0.6
69.07069	0.5
69.69547	1.6
71.04991	0.8
79.05483	1.0
81.03407	0.8
81.07053	2.2
83.04987	0.8
83.08603	0.5
86.09711	0.3
89.03915	0.4
91.04958	0.4
91.05486	4.3
93.07038	1.4
95.04967	2.4
95.08602	1.6
96.37091	0.3
97.02882	0.8
97.06550	2.1
98.97593	3.6
99.04438	0.6
105.07023	1.1
107.04948	2.3
107.08578	1.2
109.06474	0.6
109.10164	0.9
111.04467	1.3
111.08101	0.3
116.98608	0.9
119.04951	7.0
119.08583	0.7
120.37578	0.3
121.02921	0.5
121.06490	0.7
121.10159	0.6
122.84657	0.3
123.04431	18.5
124.01566	1.2
124.03936	0.3
125.02277	0.3
125.05924	0.5
131.08484	0.4
133.10127	0.8
135.04437	2.2
135.11668	0.4
137.02330	0.8
137.05980	5.2
139.03888	0.7
139.07410	0.3
141.05447	0.4
143.08405	0.3
145.10167	1.0
147.04416	22.0
149.02322	0.8
149.13286	0.5
151.07520	0.9
152.01060	2.7
153.01865	4.0
153.05452	3.1
157.06490	0.3
158.99680	0.6
159.11684	0.6
161.02382	0.4
161.13313	0.4
163.03900	1.4
164.07108	0.5
165.05499	0.7
167.03404	100.0
170.02109	1.8
171.02837	0.5
173.08253	0.3
175.07553	0.4
177.00616	0.5
177.05486	1.0
185.04486	0.6
185.05962	0.5
189.05484	0.7
193.05049	0.5
195.13786	0.6
201.16429	0.8
241.04869	0.5
241.09404	0.4
245.07779	0.3
258.09888	0.8
259.05637	0.7
259.09641	2.4
269.04483	0.5
269.12927	1.3
269.22906	0.4
272.06656	0.4
287.05518	42.8
287.09137	64.4
287.14188	1.6
287.23743	1.3
288.05539	0.4
288.09326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0916
Annotation	Calythropsin
Peak:m/z	Relative Intensity
55.05505	0.6
56.96558	1.0
65.66484	0.6
71.57101	1.3
72.08147	0.7
79.05498	1.0
81.07053	1.0
83.19001	0.5
91.05502	0.7
92.02658	0.6
92.03532	0.6
95.05016	1.0
110.38739	0.5
116.71808	0.5
127.77680	0.5
133.10188	0.7
135.04433	16.3
137.05971	1.9
145.82042	0.5
151.03923	1.4
163.03918	100.0
171.08003	0.6
183.02887	1.6
183.04445	1.1
190.95386	0.9
192.00229	0.5
194.75836	0.5
198.06787	2.4
199.07556	0.9
200.11273	0.6
211.03915	0.5
216.07983	0.5
226.06258	5.7
227.06996	1.3
232.96576	0.8
241.08600	9.8
259.09659	8.7
266.54156	0.6
269.08145	8.8
286.31100	3.9
287.05487	3.6
287.09113	4.1
287.31302	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
53.03936	0.4
55.05493	0.3
65.03933	0.5
67.01861	2.8
67.05486	0.3
68.02615	0.4
70.13340	0.6
70.13727	1.0
70.90503	0.3
81.03418	0.6
83.04958	0.5
91.05481	6.3
95.04974	1.7
95.08666	0.3
99.04468	0.5
103.05423	0.3
106.75777	0.3
107.04948	2.2
111.04453	3.0
119.04949	19.0
121.02877	0.4
121.06475	0.4
123.04438	3.1
125.68539	0.3
131.04912	0.5
137.06013	0.7
146.26514	0.3
147.04414	52.2
152.01031	0.7
163.03915	1.0
165.05463	1.2
166.52940	0.3
167.03403	96.3
168.00597	1.4
183.02913	4.1
185.04439	1.4
186.01488	0.7
189.05490	1.3
193.04948	0.7
226.06233	0.3
245.08168	0.5
269.08151	0.8
287.09143	100.0
288.09338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	Calythropsin
Peak:m/z	Relative Intensity
50.86829	0.2
53.03932	0.6
55.01872	0.4
55.05493	1.1
56.96561	0.9
67.05489	1.0
68.99750	0.4
69.03418	0.5
69.07076	3.5
69.31313	2.4
71.04969	0.7
79.05504	1.5
81.07053	2.7
83.04985	0.6
83.08602	0.5
85.02895	0.4
89.94165	0.3
91.05478	1.7
92.02615	0.3
93.07043	1.6
95.04965	0.7
95.08605	2.1
97.02897	0.3
98.06061	0.5
98.97598	1.8
105.07029	1.8
107.04958	0.8
107.08602	1.6
109.06503	0.5
109.10165	1.4
110.97569	0.4
111.04473	0.3
116.98613	0.6
117.06967	0.3
119.08591	2.3
121.06487	0.6
121.10148	1.0
123.04427	1.1
123.11707	0.5
125.05989	0.5
127.11186	0.3
128.06204	0.5
128.98662	0.3
129.07033	0.3
131.08577	0.9
133.10110	1.2
135.04419	17.6
135.11702	0.8
137.02303	0.8
137.05994	3.0
140.06213	0.3
142.03233	0.6
143.00150	0.3
143.08607	0.3
145.06480	0.3
145.10126	1.7
147.11690	1.0
149.01224	0.3
149.05951	0.3
149.13235	0.6
151.03889	0.7
153.01845	1.0
153.05693	0.3
153.07001	0.4
156.01166	0.6
157.10123	0.6
158.99620	0.5
159.11740	1.9
161.06000	0.5
161.13284	0.9
163.03906	100.0
164.04326	0.4
165.12782	0.3
168.05699	0.5
170.02754	0.6
171.08043	1.5
171.11694	0.5
173.13263	1.0
177.05455	0.7
179.03438	1.2
183.02931	0.6
183.04427	1.5
184.05240	1.4
185.06081	0.4
187.14861	0.4
189.05324	0.3
189.16389	0.3
191.03859	0.4
198.06773	4.1
199.07510	2.1
199.14856	0.4
201.05550	0.4
201.16425	2.6
206.10602	0.5
211.03903	1.3
212.04575	0.5
213.05598	0.5
213.09149	0.4
213.16397	0.3
214.10533	0.3
214.12206	1.4
215.06911	0.3
216.03244	0.9
216.07704	0.6
219.01778	1.2
226.06247	14.9
227.07030	4.7
227.11800	0.5
229.04964	0.6
237.02831	0.9
238.06235	0.4
241.08591	22.4
241.13359	0.9
243.06490	0.9
244.07300	0.8
254.05707	0.7
255.06532	0.5
259.09668	16.5
261.02756	0.5
269.08109	25.0
269.12405	3.7
269.22614	1.2
271.05063	0.4
272.06186	0.6
279.03891	1.1
283.61316	0.3
287.05515	8.3
287.09085	12.8
287.14120	2.4
287.23636	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	287.0915
Annotation	Calythropsin
Peak:m/z	Relative Intensity
53.03946	1.0
54.52661	0.4
56.96552	0.8
57.07069	0.4
67.05516	0.4
69.03435	0.4
69.07061	0.5
69.25099	3.0
69.62582	0.4
72.08157	1.0
79.05477	0.9
80.94819	0.3
81.07063	0.8
92.02642	0.8
93.07007	0.6
95.04995	0.7
97.00581	0.5
98.21458	0.8
99.08111	0.4
107.04936	0.5
121.56677	0.4
123.04453	0.5
131.99382	0.4
135.04424	16.2
137.05981	1.6
147.04424	0.7
149.01936	0.4
163.03914	100.0
167.25084	0.4
168.00627	0.8
171.08064	0.7
177.06801	1.0
183.02901	1.7
183.04410	1.3
184.05222	0.9
186.01584	0.6
190.95451	0.7
198.06772	2.9
199.07518	0.8
211.04028	0.7
216.07698	0.6
226.06253	9.9
227.07057	1.4
231.10161	0.5
241.08611	17.0
256.84882	0.4
259.09705	7.6
269.08112	17.7
286.31067	3.8
287.05374	2.0
287.08710	7.1
287.23453	0.5
287.31351	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	Calythropsin
Peak:m/z	Relative Intensity
51.37672	0.3
53.03948	0.8
56.96562	0.8
57.07062	0.8
58.89791	0.3
59.13319	0.3
59.63513	0.3
65.03940	0.3
67.45699	0.3
69.03438	0.4
69.07076	0.4
70.68078	1.0
72.08126	0.4
79.05482	1.0
81.07046	0.8
83.05000	0.4
90.09169	0.3
91.05490	2.1
92.02620	0.7
93.07041	0.3
95.04964	0.6
105.04539	0.4
105.07034	2.8
106.15140	0.3
107.04972	0.6
107.66130	0.4
109.10204	0.3
112.25417	0.3
119.08594	0.4
123.04424	0.6
125.09623	0.4
135.04422	17.5
137.05972	1.7
140.06227	0.4
151.03867	0.5
161.06007	0.7
163.03909	100.0
164.04228	0.5
167.03418	0.8
168.00589	0.7
171.08055	0.5
177.06801	0.6
183.02910	1.6
183.04463	1.0
184.05226	0.8
186.01588	0.5
190.95464	0.6
198.06828	2.6
199.07507	0.7
211.04012	0.9
226.06242	10.2
227.07037	1.1
230.24863	0.9
232.96471	0.7
241.08604	17.5
254.05695	0.6
255.12183	0.4
259.09680	7.5
269.08105	20.1
286.31039	4.4
287.05511	1.5
287.09085	4.8
287.20157	0.6
287.31363	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	287.0914
Annotation	Linderone
Peak:m/z	Relative Intensity
52.97374	0.3
54.96706	0.3
55.01859	0.5
56.02642	0.6
56.58649	0.3
64.91686	0.3
66.01086	0.4
68.99789	1.0
71.27261	0.5
72.52022	0.3
79.05486	0.9
84.02124	0.8
91.05477	0.9
99.00829	2.3
103.05476	6.7
105.03393	0.7
105.07001	0.4
107.04953	0.8
112.01592	2.5
112.49998	0.3
119.17132	0.3
127.00290	3.2
131.04936	12.7
140.01047	1.8
145.06541	0.3
149.02303	0.4
154.99791	0.9
166.02640	0.3
168.00551	47.6
173.05956	0.7
181.05002	0.5
183.02899	100.0
186.01607	14.3
201.03917	0.5
223.35583	0.3
245.08144	1.1
260.97516	0.3
271.06021	0.6
272.06808	1.1
287.09152	82.4
288.09424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	Calythropsin
Peak:m/z	Relative Intensity
53.03952	0.6
56.96557	0.9
57.07079	2.8
57.81780	0.3
58.06581	0.6
67.05486	0.4
68.34890	0.3
69.07037	0.6
70.06567	0.6
71.08627	1.3
71.54909	0.5
72.08164	5.6
72.98049	0.3
73.08513	0.4
79.05494	0.8
81.07062	1.0
82.52682	0.3
83.04942	0.5
85.02898	0.4
88.07639	0.8
90.09196	2.9
91.05480	2.9
92.05821	1.3
95.04956	0.9
95.08587	0.4
101.10644	0.3
103.70030	0.3
106.79811	0.3
107.04958	0.5
109.06480	0.6
118.18429	0.3
121.06527	0.4
121.10120	0.5
131.04909	0.4
131.08527	0.5
133.10132	0.4
135.04424	17.0
137.05951	1.7
147.04391	0.5
152.06223	0.4
163.03909	100.0
167.03400	0.8
168.00555	0.5
168.05705	0.4
171.07996	0.5
172.94376	0.4
173.53497	0.3
174.18553	0.8
182.14307	0.3
183.02890	2.2
183.04471	1.5
184.05273	0.6
186.01738	0.4
190.95363	0.8
198.06754	2.5
199.07533	0.9
211.03839	0.9
212.04857	0.4
213.09045	0.4
218.52206	0.4
226.06252	14.3
227.07088	1.9
230.24786	2.3
231.10098	0.5
231.25206	0.7
232.96458	0.5
241.08601	22.2
243.06627	0.9
244.07063	0.4
254.05775	0.9
255.06520	1.0
259.09729	6.7
269.08090	22.1
275.12134	0.5
286.31039	24.5
286.68182	0.4
287.05472	3.3
287.08844	7.7
287.31384	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	287.0554
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.28275	0.1
53.03924	0.2
55.01867	0.3
55.05495	0.7
56.96558	0.5
57.03430	0.3
57.07061	0.3
57.31256	0.1
59.04993	0.1
63.00029	0.2
65.03945	0.3
67.01871	1.3
67.05505	0.8
68.99786	1.0
69.03414	0.2
69.06721	0.3
69.07070	3.0
70.06613	0.2
71.04981	0.4
71.56068	0.1
71.56470	0.2
79.05499	0.9
81.03413	0.2
81.07065	1.9
83.04967	0.3
83.08614	0.3
85.02925	0.3
85.06544	0.2
89.03910	0.5
91.05489	2.3
93.07043	1.1
95.04969	0.5
95.08593	1.4
97.02900	0.2
97.06512	0.3
98.03112	0.2
98.06044	0.4
98.97591	1.4
105.07030	1.5
107.04948	0.5
107.08602	1.5
109.02893	0.2
109.06511	0.2
109.09492	0.2
109.10132	0.9
110.97584	0.3
111.00823	0.2
111.04432	0.5
111.11708	0.2
113.97928	0.2
115.05372	0.1
116.98595	0.6
117.03368	0.8
117.07010	0.3
119.04939	1.6
119.08595	2.0
121.10143	0.9
123.04441	0.5
123.11681	0.4
123.15447	0.1
124.91679	0.1
125.02386	0.2
125.05997	0.3
127.03841	0.2
127.11239	0.2
129.01848	0.2
129.06949	0.3
131.08572	0.5
133.10117	0.8
135.04413	6.1
135.11678	0.5
137.02367	1.0
137.05981	0.5
139.05440	0.2
142.03223	0.5
143.00194	0.2
143.08618	0.2
145.10110	1.5
147.04422	3.9
147.11665	0.9
149.05968	0.2
149.13297	0.5
151.03876	0.2
152.01079	0.3
153.01833	9.8
156.01149	0.8
157.06448	0.2
157.10100	0.5
158.99670	0.3
159.11708	1.2
161.02353	1.0
161.13326	0.4
163.03911	14.6
163.11163	0.2
167.03444	2.4
170.02675	0.7
171.02966	0.7
171.04283	0.2
171.08092	0.4
171.11661	0.4
173.01277	0.2
173.13254	0.5
175.14749	0.3
177.05450	0.3
177.06815	0.2
179.03423	0.8
183.02907	0.2
183.04384	0.2
185.04381	0.2
185.05930	0.3
185.13239	0.4
189.00835	0.2
189.16360	0.3
191.02156	0.2
193.15834	0.2
198.06775	0.7
199.07607	0.4
199.14822	0.3
201.16397	1.8
203.03450	0.3
209.03880	0.2
211.03874	0.2
213.05487	0.6
213.16319	0.5
215.17900	0.2
216.03252	0.7
219.01801	0.5
219.06625	0.3
226.06245	1.8
227.06999	1.2
227.11694	0.2
227.17996	0.2
231.06564	0.3
237.02820	0.7
241.04938	1.4
241.08560	3.5
247.58929	0.2
255.06479	0.2
255.11974	0.2
259.09641	3.9
261.02890	0.3
269.04596	0.5
269.08148	3.8
269.12460	0.8
269.22665	0.8
279.03860	0.8
287.05518	100.0
287.08917	7.4
287.23599	2.9
288.05807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03924	0.4
55.01846	0.9
55.02092	0.2
55.05491	0.4
56.96544	0.5
57.03420	0.3
65.03938	0.4
67.01854	0.4
67.05481	0.9
68.99445	0.4
68.99792	5.1
69.03411	0.6
69.07056	0.8
71.04990	0.4
71.55882	0.3
79.05477	1.0
81.03377	0.4
81.07059	2.3
83.08647	0.3
85.02911	0.3
89.03960	0.2
91.05496	1.5
93.07047	1.3
95.04963	0.4
95.08595	1.2
97.02864	0.3
97.06521	0.4
98.97540	0.6
103.05434	0.5
105.03399	1.6
105.04515	0.3
105.07030	1.4
107.04948	2.2
107.08559	0.7
109.02904	0.5
109.06545	0.3
109.10151	0.6
111.00797	0.7
111.04439	0.3
115.05442	0.7
116.98682	0.3
117.07003	0.6
119.04936	0.4
119.08601	1.1
121.02847	0.5
121.06504	1.5
121.10113	0.7
123.04431	1.1
123.11668	0.4
125.05952	0.3
129.01978	0.2
131.08548	0.5
133.02826	0.2
133.06471	0.9
133.10097	0.6
135.04417	4.0
135.08058	0.6
135.11737	0.4
136.07553	0.4
136.30428	0.2
137.02339	0.7
137.05951	0.9
138.17973	0.2
145.10112	0.8
147.04442	1.7
147.11670	0.7
149.02353	2.2
149.05908	0.4
149.13269	0.6
153.01839	18.1
157.06465	0.4
157.10133	0.3
159.11690	0.8
161.02351	3.7
161.04732	0.3
161.05972	2.1
161.13306	0.4
163.03917	21.3
165.01805	0.3
167.03453	0.3
171.03099	0.3
171.04347	1.0
173.13248	0.3
175.03902	2.0
175.07549	0.2
177.05478	0.3
177.12762	0.5
179.03508	0.4
183.02936	0.2
183.04462	0.4
185.05978	0.4
188.04646	0.2
189.05469	7.6
191.03397	0.4
193.04958	0.2
198.06790	0.4
199.03929	0.4
199.07599	0.3
200.04645	0.2
201.05521	0.3
201.16389	0.7
203.03404	0.9
203.07060	1.6
205.04929	0.5
213.05450	2.0
215.07037	0.3
216.04166	1.0
217.04968	34.2
218.05327	0.2
219.06546	0.8
226.06227	2.5
227.03462	0.3
227.07021	0.4
231.06534	6.6
241.04974	1.5
241.08603	4.2
241.13330	0.3
243.15999	0.3
245.04459	3.1
255.09340	0.2
255.12389	0.2
259.06046	2.7
259.09668	1.0
269.04486	2.5
269.08093	5.3
269.12512	1.0
269.17484	0.4
269.22461	0.4
287.05515	100.0
287.23453	1.3
288.05838	0.4
293.09592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
55.05513	2.4
56.05033	1.3
56.96578	2.7
57.03429	2.1
59.04999	3.1
60.04520	0.5
61.02926	7.7
65.03952	0.9
67.05504	1.5
68.05034	1.4
69.03414	2.8
70.06593	63.1
70.31901	2.1
70.98128	0.6
71.05000	5.9
72.08149	2.0
73.02930	1.7
79.05507	3.5
80.05026	3.0
81.03410	1.5
81.04546	0.8
81.07059	11.5
82.05331	1.7
82.06650	0.6
83.04977	0.8
83.06110	10.5
84.04505	1.8
84.08152	3.1
85.02911	3.3
87.08109	2.3
91.05485	7.0
93.04535	7.1
93.07038	0.8
94.06567	1.0
95.04969	1.3
95.06091	15.8
96.04495	1.1
96.63605	0.6
97.02892	2.0
98.97581	3.9
101.00890	0.9
101.07139	1.0
103.05471	1.2
105.07046	0.8
106.05131	0.6
106.06573	1.3
107.06087	1.9
109.02810	0.7
110.07166	100.0
111.05570	1.7
112.07606	56.6
112.08714	2.7
114.05534	0.7
115.05486	1.5
116.07108	1.8
116.98631	0.8
117.05759	1.3
117.07010	0.9
117.60250	0.6
118.06562	2.2
119.01942	0.7
119.04971	1.5
119.06042	1.0
119.07381	0.8
121.06509	5.5
121.07611	2.1
123.04437	2.7
124.03954	86.7
127.03931	1.4
127.80103	0.6
128.06209	1.6
129.06944	2.0
130.04955	1.5
130.06535	5.0
130.08681	1.0
132.08095	1.0
137.05992	6.8
139.04990	1.0
140.07068	38.5
141.06975	3.4
142.06563	1.8
142.07735	0.7
143.07330	1.6
143.08478	1.1
144.08157	2.7
146.06030	0.8
146.09639	0.8
147.07718	1.1
152.06050	1.1
153.06982	1.9
154.06519	6.6
155.04663	1.0
155.07295	5.8
155.08533	1.4
156.03320	1.0
156.07822	19.5
157.08817	1.8
157.09785	2.0
158.09633	4.0
158.99681	1.1
159.06798	1.2
160.07652	0.8
161.01277	0.6
163.12308	57.5
165.06917	2.6
166.06174	2.3
167.07280	5.6
167.08588	4.7
168.08087	20.5
169.03288	0.6
169.08878	10.0
169.10281	0.8
170.06039	1.5
170.09647	15.4
171.10356	2.6
172.07596	3.7
172.11206	0.7
173.08215	0.8
174.04401	0.9
174.09146	0.8
178.07779	1.6
179.08566	1.6
180.08020	5.1
181.08836	5.6
181.13306	0.6
182.09650	7.7
183.06755	3.8
183.08167	0.7
183.10405	7.2
184.07625	6.1
184.11214	21.8
185.08386	3.7
185.09546	0.8
185.11858	3.2
186.04312	1.1
186.09164	10.6
186.12740	4.2
188.07047	0.7
190.07838	0.7
190.13406	10.0
191.07173	0.5
191.08626	4.4
192.08101	2.4
193.08945	2.9
193.13419	1.4
194.09680	14.9
195.08047	1.2
195.10469	3.3
196.07535	4.8
196.11229	11.6
197.03964	1.1
197.08350	2.0
198.09145	45.1
199.06346	1.3
199.09918	2.4
200.07132	0.7
201.07874	2.1
204.05487	0.8
204.08064	1.8
205.08949	1.3
206.09679	3.2
207.06691	1.3
208.07616	3.2
208.11432	2.7
208.14465	13.0
209.08348	5.0
209.12840	0.7
210.09143	6.6
210.16068	1.1
211.09923	5.1
212.07141	3.2
212.10704	40.4
212.15202	1.1
213.11452	2.7
214.08725	3.0
214.12241	8.7
217.03712	0.7
219.08017	2.6
219.11208	3.1
220.07443	0.8
221.08398	0.7
222.09152	18.6
223.09937	6.0
223.12050	1.1
224.07111	1.7
224.10715	20.0
225.07843	3.4
226.08623	1.7
228.10135	1.2
236.10658	2.9
236.13921	8.7
237.09059	2.3
238.08574	2.8
239.09369	4.4
240.10196	64.7
240.16983	8.5
241.10960	11.7
242.11783	8.9
250.08643	6.8
250.14346	1.5
252.10124	2.7
254.11755	31.5
254.14967	22.0
257.10376	0.7
258.11227	6.2
266.08167	0.8
268.09695	15.6
268.12399	1.0
268.15591	1.8
286.10657	91.7
286.14224	14.0
286.17569	96.6
287.11172	1.1
287.17856	0.6
309.08640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39861	0.3
55.01861	0.5
55.05509	0.5
56.96562	1.8
57.03457	0.3
60.04527	0.5
61.02925	0.6
63.55196	0.3
64.02045	0.3
68.05045	0.4
69.03429	1.1
70.06593	100.0
70.51114	0.3
71.08611	0.3
71.55067	0.5
72.08157	0.9
79.05492	0.6
80.05023	1.4
81.03422	0.5
81.07040	0.4
83.06090	0.3
84.04497	1.1
84.08133	1.2
85.02906	1.4
86.09709	0.6
88.11269	1.5
89.06034	0.4
89.11572	0.4
91.05473	1.6
95.04938	0.6
96.04485	1.0
97.02890	0.5
98.97607	1.9
99.57468	0.4
101.07124	0.9
103.05482	0.4
106.02901	0.5
106.06570	0.7
107.07046	0.5
109.49387	0.4
110.07180	2.1
112.07606	99.0
113.07927	0.4
116.07097	0.9
116.98647	0.9
118.06519	0.4
119.04961	0.5
122.02740	0.7
123.04431	3.3
124.03955	45.6
124.07520	1.8
127.03845	0.4
129.06630	1.0
130.04973	1.1
130.06528	0.7
137.05966	2.2
140.07065	66.0
142.12543	0.3
145.04930	0.4
147.07637	1.1
154.06465	0.5
155.04634	0.3
155.07329	0.7
156.08067	1.6
157.08626	0.4
157.09756	4.8
158.06564	0.4
158.09619	0.3
158.99605	0.5
159.55453	0.3
161.05939	0.3
163.12291	0.8
164.07030	0.4
165.05464	1.0
165.06964	0.7
166.07854	0.4
167.07297	0.6
167.08591	0.8
168.08105	2.1
169.08847	1.5
170.09651	1.8
172.07607	0.4
174.04372	0.4
179.08609	0.4
180.08066	1.0
181.08710	0.7
182.09633	0.8
183.06763	0.6
183.10440	0.7
184.07536	1.0
184.11180	2.8
185.09323	0.6
186.04384	1.3
186.09134	1.3
190.07761	0.4
191.08585	2.6
193.08809	0.6
194.09645	1.9
196.07614	0.4
196.11165	1.3
198.09160	5.0
204.05424	0.4
204.07883	0.4
206.09683	0.8
208.11220	1.1
209.08205	0.6
210.09070	1.0
211.10056	0.7
212.06970	0.6
212.10728	4.2
214.08675	0.7
214.12303	0.8
219.07983	1.5
222.09131	2.4
223.10002	0.5
224.10660	2.3
225.07808	2.1
228.10240	0.6
236.10680	1.4
237.09096	1.3
238.08618	1.2
239.09341	1.5
240.10222	6.9
240.13332	0.9
241.10997	1.1
242.11728	1.3
250.08612	0.9
250.14430	0.8
252.10417	1.6
252.12590	0.3
254.11757	19.7
258.11191	0.7
268.09592	1.8
268.12781	1.7
268.15518	1.2
269.11188	0.4
277.07779	0.3
286.09247	5.8
286.10632	7.8
286.14163	12.2
286.17303	1.1
287.10925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	CHEBI:69050
Peak:m/z	Relative Intensity
53.03942	3.0
53.41684	1.2
53.73450	1.1
55.01879	7.6
55.05513	13.2
56.45386	1.2
57.03181	1.6
57.03439	18.3
57.07075	3.1
67.05175	2.0
67.05509	27.1
68.23808	1.2
69.03429	2.1
69.07073	17.7
70.60456	3.2
71.04981	3.0
75.50425	1.2
79.03722	1.2
79.05497	16.1
81.03414	2.6
81.07061	100.0
83.04993	8.2
83.08630	10.2
85.06541	4.2
91.05490	21.9
93.07063	11.2
95.04970	3.4
95.08617	25.4
95.87466	1.4
97.06539	7.0
97.10152	1.5
98.97538	1.9
99.04469	2.1
99.08090	5.6
101.06009	1.6
105.07037	31.6
107.04927	1.4
107.08589	11.2
107.86446	1.2
109.06527	5.1
109.10168	1.9
111.08090	1.5
119.07800	2.1
119.08589	30.2
121.10149	17.7
123.08066	4.3
123.11716	31.8
127.07523	4.4
129.07048	2.0
131.08543	2.1
132.94183	1.2
137.13248	4.1
140.40498	1.3
141.09102	1.2
145.10190	1.6
147.04420	1.8
147.11694	75.8
157.10161	1.9
165.12764	54.8
175.11197	2.2
183.13849	10.2
188.18346	1.3
193.12206	1.8
225.09052	1.4
229.14362	12.5
267.15945	21.4
285.07709	12.3
285.10968	2.5
285.11505	2.6
285.16968	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
53.20466	1.4
54.39559	1.5
54.59670	1.3
55.01865	2.1
55.05511	19.5
56.96560	8.7
57.03432	3.5
57.07079	15.8
63.00044	1.9
67.05510	23.8
69.03410	1.6
69.07070	45.1
69.28393	13.3
71.04982	5.0
71.08633	8.8
73.43241	1.3
79.05500	7.9
81.03413	5.8
81.07061	54.8
83.04977	2.1
83.08620	31.9
85.02892	2.3
85.06518	2.4
85.10166	5.2
91.05458	8.4
93.07040	6.3
95.04988	3.4
95.08607	55.8
95.75596	1.4
97.10169	28.0
98.97588	12.9
99.04491	1.5
99.11938	1.5
103.57874	1.7
105.07041	6.3
107.04928	2.3
107.07943	1.4
107.08619	4.5
109.10165	41.4
111.11727	21.8
116.98631	4.6
119.08585	3.6
121.10137	4.0
123.11713	29.4
125.13270	4.3
128.98676	1.8
131.00182	1.7
131.08582	2.1
133.10144	2.6
134.99684	1.9
135.04431	3.1
137.06036	1.4
137.13268	13.7
139.14757	1.7
145.10091	2.1
146.60318	1.4
147.04419	6.8
147.11684	5.9
149.09543	1.8
151.14810	5.1
157.10112	1.8
158.99629	2.9
161.05951	2.4
163.03969	1.9
165.06885	2.0
165.12688	2.3
165.16408	4.4
167.03464	2.4
173.01266	1.8
177.00737	3.2
179.17949	3.3
183.08159	1.7
185.18973	1.3
191.02345	2.8
193.06567	2.3
193.12238	2.2
193.19476	4.2
198.76497	1.5
211.13257	1.5
214.06174	3.7
217.02592	1.7
225.09148	4.4
229.08549	2.2
242.05798	7.9
244.99844	1.6
247.62453	2.0
249.25783	7.7
253.03519	4.0
253.08662	3.7
257.08237	5.0
262.04068	2.5
267.15710	1.6
267.26920	9.0
269.04498	6.0
270.05264	7.2
285.07605	100.0
285.11072	6.3
285.16922	4.5
285.21982	3.0
285.62799	2.2
299.05566	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03946	1.0
55.01882	6.1
55.05516	12.9
57.03444	22.0
57.07071	2.0
59.05026	1.1
62.30942	1.0
65.03931	1.1
67.05511	37.8
69.03417	1.3
69.07077	19.0
69.90469	4.2
71.05000	5.0
71.08608	0.8
79.05498	18.6
81.03413	1.7
81.07066	100.0
83.04990	6.9
83.08633	9.9
85.02902	1.0
85.06544	6.0
87.04451	1.1
88.91522	0.8
91.05486	23.2
93.07053	12.9
95.04971	2.9
95.08617	26.1
97.06535	6.8
98.21471	1.6
98.97586	1.2
99.04460	1.2
99.08097	4.1
101.06039	1.4
104.40102	0.8
105.07043	34.7
107.04921	1.0
107.08607	14.6
109.06544	5.0
109.10133	1.5
111.08089	1.3
119.08594	28.8
121.10159	20.4
123.08080	3.7
123.11723	32.9
127.07574	4.0
129.07027	2.2
131.08589	2.0
133.10152	2.5
137.13269	3.1
141.09093	1.2
145.10095	1.6
147.04396	2.7
147.11705	82.3
151.47044	1.0
157.10126	1.5
165.12782	47.6
175.11327	1.7
183.13788	7.4
193.12314	1.4
211.13374	1.7
229.14362	12.2
267.15952	9.9
269.04520	1.7
270.05206	1.1
285.07706	8.2
285.10400	1.3
285.16989	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01863	3.3
55.05272	1.0
55.05517	15.1
57.03189	1.6
57.03442	20.4
65.03909	1.1
67.05507	33.6
69.03425	1.4
69.06720	1.5
69.07070	19.4
71.04993	6.3
79.05064	1.3
79.05499	19.2
81.03420	12.6
81.07061	100.0
83.04982	6.3
83.08636	9.4
85.02897	2.8
85.06552	7.0
87.04436	1.2
91.05483	23.9
93.07048	16.3
95.04993	4.7
95.08611	20.5
97.06542	8.0
98.97594	1.5
99.08083	2.9
101.06053	1.7
105.01844	2.0
105.07036	36.7
107.04979	2.7
107.08597	13.6
109.06527	6.3
109.10145	2.1
111.04408	1.2
111.08088	1.5
113.06013	1.9
117.07021	1.6
119.08585	32.0
121.06501	1.3
121.09316	1.7
121.10148	21.2
123.04462	0.9
123.08105	5.9
123.11712	33.4
125.09624	1.6
127.07576	3.1
128.04277	1.0
129.06979	1.9
131.08534	2.8
133.10133	5.4
135.08040	1.4
137.13210	3.2
141.09181	1.3
145.10089	2.0
146.05336	1.2
147.04442	7.2
147.11697	76.8
153.07051	1.2
154.07803	1.5
155.08517	1.7
157.10103	4.6
159.11725	1.5
161.05975	2.0
162.78865	0.9
163.03940	1.1
165.07019	2.8
165.11394	2.3
165.12769	41.0
167.08678	1.1
168.05753	1.1
175.11160	4.6
179.08612	1.9
181.06487	1.6
182.07286	3.2
183.13820	5.7
193.06491	3.3
193.12230	3.3
197.05852	0.9
197.09636	3.0
199.14876	1.2
210.06801	4.1
211.07646	1.7
211.13168	2.1
221.06015	2.2
224.03545	1.6
225.09091	7.8
227.07005	1.7
229.05066	1.2
229.08641	4.1
229.14357	7.2
242.05511	1.2
253.08598	8.5
257.08142	2.1
257.11630	1.6
267.15866	4.8
267.21048	2.3
269.04410	8.0
270.05161	3.0
270.08789	1.3
285.04376	1.8
285.07571	38.8
285.11246	15.7
285.16965	72.0
285.22131	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36840	0.9
52.16164	0.9
53.03943	1.4
55.01865	3.3
55.05510	13.7
56.29714	1.0
56.96560	1.0
57.03435	15.2
65.03951	1.3
67.05176	1.6
67.05507	27.2
68.99815	1.0
69.03427	3.0
69.06724	1.0
69.07063	11.2
69.41300	7.9
71.04978	4.7
79.05489	18.6
81.02921	1.2
81.03417	54.6
81.07056	64.3
81.66344	0.9
83.04984	8.5
83.08616	18.3
85.02907	11.5
85.06537	4.2
91.05476	21.1
93.07043	13.5
95.04968	20.4
95.08606	16.5
96.25045	1.0
97.02924	1.3
97.06538	7.4
97.10170	2.1
98.97598	3.1
99.08093	3.1
105.07032	27.7
107.04938	5.5
107.08610	11.7
109.06533	4.7
109.10195	2.4
111.04433	1.2
111.08079	9.0
113.05991	1.0
117.07027	1.2
119.04931	1.2
119.08579	25.6
121.06506	4.3
121.10130	13.0
123.04427	3.0
123.08063	3.0
123.11701	16.2
125.09558	1.2
127.07552	1.6
129.06989	5.2
131.08556	6.5
133.06456	2.9
133.10162	5.3
137.05904	1.5
137.13316	1.9
139.03947	1.8
145.10112	2.2
147.04410	23.4
147.08032	1.1
147.11690	51.9
149.09612	4.1
151.07521	1.5
157.10126	9.0
159.11719	1.1
161.05971	3.0
163.03964	4.8
163.11049	1.0
165.12758	29.9
171.11771	1.2
175.11182	10.6
182.07500	1.0
183.13829	2.6
187.07626	1.7
193.12239	34.0
197.13271	1.0
210.06726	2.0
211.13280	14.8
211.15005	1.7
214.06087	1.1
221.05957	3.3
225.09177	4.3
229.08553	1.2
229.14392	7.8
242.05717	2.7
253.05049	2.0
253.08563	6.9
257.08197	1.4
257.11786	1.3
267.15900	13.8
267.20905	1.4
269.04437	22.3
270.05225	5.0
285.07596	100.0
285.11148	7.2
285.16974	47.3
285.21619	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01883	1.1
55.05514	6.6
56.96553	1.8
57.03442	8.9
58.90345	0.6
65.03940	0.6
67.05504	12.7
69.03415	1.3
69.07073	5.9
69.42894	4.9
71.04981	2.4
75.27518	0.6
75.91367	0.8
79.05492	9.2
81.03423	26.1
81.07059	30.7
83.04974	3.9
83.08622	8.5
85.02920	4.0
85.06538	2.6
91.05486	11.5
93.07047	5.9
95.04970	6.6
95.08613	6.6
97.06531	2.4
97.10166	0.8
98.97587	2.0
99.08095	1.5
101.06023	1.5
105.07037	14.4
107.04971	3.4
107.08568	4.3
109.06503	2.6
109.10149	1.2
111.04462	0.9
111.08120	3.6
119.04964	1.9
119.08586	10.1
121.06470	1.1
121.10140	7.9
123.04443	3.5
123.08095	1.7
123.11706	8.6
127.07538	0.8
128.98599	0.7
129.07034	2.6
131.08580	2.9
133.10130	2.6
135.04420	1.5
135.11664	0.7
139.03899	0.8
142.07805	1.4
145.01743	1.4
145.10120	0.9
147.04427	25.4
147.11688	22.5
149.09595	1.0
157.10118	3.0
159.11703	0.7
161.06010	1.6
163.02843	1.2
163.03940	4.1
165.07011	1.6
165.12770	11.0
175.11208	6.0
176.04532	0.7
182.07245	0.7
183.13797	1.9
190.06308	1.4
193.08603	0.9
193.12256	17.7
210.06868	1.3
211.07645	0.8
211.13179	4.7
219.01791	1.6
221.06050	1.1
221.08057	7.1
222.08473	1.2
225.09154	2.3
229.08803	1.0
229.14413	2.6
237.02658	1.0
239.06859	0.7
242.05762	2.4
253.05017	0.9
253.08636	4.5
254.09399	0.9
264.07605	1.9
267.15924	6.6
269.01511	1.3
269.04443	28.3
270.05145	5.1
285.07602	100.0
285.11038	4.7
285.16949	25.1
285.21918	1.2
307.06998	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
50.03574	1.1
53.03944	1.6
55.01861	1.7
55.05297	1.4
55.05513	13.4
55.50645	1.1
57.03186	1.8
57.03439	21.0
57.07067	1.4
64.66389	1.2
67.05509	34.2
69.03431	1.6
69.07076	18.7
71.04998	5.8
71.56519	1.4
79.05495	17.3
81.07061	100.0
83.04982	5.7
83.05421	1.7
83.08619	10.0
85.02876	1.4
85.06543	6.9
85.67303	1.2
91.05486	20.8
93.07053	12.0
95.04969	2.2
95.08616	18.3
97.06524	7.6
99.08087	5.5
105.04431	1.2
105.07038	35.8
107.08604	14.2
109.06509	4.7
111.08092	1.4
119.07790	2.3
119.08585	30.6
121.10148	22.0
123.08038	3.8
123.11713	33.1
123.34401	1.3
127.07531	3.3
129.07118	1.3
131.08565	2.9
133.10120	2.6
134.18399	1.6
137.13274	2.4
147.11694	77.5
151.77243	1.2
157.10149	2.5
165.12764	47.5
175.11227	3.0
183.13817	5.4
193.12224	3.6
229.14348	9.3
242.05762	7.1
267.15912	6.1
270.05209	3.0
285.07660	20.1
285.16946	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	285.1696
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
55.01876	2.1
55.05514	18.6
57.03438	22.6
57.07053	1.2
67.05509	31.0
69.03427	1.7
69.06725	1.3
69.07073	18.4
71.04983	5.2
71.05756	2.0
75.68111	1.1
79.05494	15.6
81.07060	100.0
82.19917	1.1
83.04986	6.2
83.08627	10.3
85.06543	5.7
86.15810	1.1
91.05483	27.3
92.35436	1.0
93.07048	13.1
95.04980	2.4
95.08614	19.7
97.06521	6.9
99.08077	3.9
101.06030	2.7
103.05511	1.2
105.07034	38.1
106.79012	1.0
107.08598	12.5
109.06527	5.3
109.10130	3.1
113.06027	2.3
115.07562	1.0
119.08582	26.2
119.41733	0.9
121.10146	20.3
123.08104	4.8
123.11710	30.5
127.07557	4.7
128.75282	1.2
129.07024	1.2
133.10120	1.8
137.13252	2.7
140.06682	1.0
145.10121	2.0
147.11693	76.6
157.10072	2.8
165.12753	44.2
165.14140	2.4
172.60231	1.3
175.11195	2.6
183.13812	5.3
193.12221	3.0
211.13373	1.4
218.11136	1.2
229.14349	8.1
242.05739	2.4
267.15930	3.9
270.05057	1.7
285.07574	13.7
285.16974	69.4
294.07834	1.1
306.50970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03939	2.0
55.01862	5.1
55.05511	14.1
57.03437	22.3
57.07075	1.6
59.01609	1.1
67.05507	33.5
68.33284	1.1
69.06726	1.5
69.07071	21.4
69.32207	10.3
71.04986	4.7
73.06532	1.2
79.05496	19.9
81.03370	1.2
81.07059	100.0
83.04980	6.4
83.08614	10.0
85.06567	6.5
91.05479	24.2
93.07047	11.0
95.04941	3.2
95.08611	26.6
97.06537	8.0
99.08090	4.8
101.06029	1.2
105.07034	38.5
107.08603	11.4
109.06506	4.4
111.08067	1.6
119.08589	30.4
121.10147	21.2
123.08099	5.6
123.11704	30.4
127.07569	4.0
129.07051	1.6
131.08566	1.9
133.10081	1.8
134.98016	1.1
137.13240	3.6
141.09090	1.4
145.10158	1.4
147.11690	81.5
149.09607	1.2
157.10133	2.3
165.12764	52.3
175.11172	2.4
183.13763	8.7
193.12175	2.1
218.05037	1.1
229.14384	10.9
242.05717	2.5
242.93549	1.1
266.34317	1.2
267.15930	8.8
270.05240	2.0
285.07654	13.9
285.16962	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	285.1124
Annotation	Glypallichalcone
Peak:m/z	Relative Intensity
53.03952	0.6
63.39441	0.1
65.03934	0.1
66.04712	0.3
67.05504	0.2
68.99786	0.1
71.26498	0.2
77.03913	0.1
79.05498	3.7
81.07061	2.1
91.05482	0.3
93.07037	0.1
94.04184	1.5
95.04974	0.5
105.03399	0.3
105.07028	0.2
109.06524	10.2
118.04223	0.3
119.66646	0.1
121.06514	0.9
131.04913	0.3
133.06500	0.8
137.05983	100.0
138.06325	0.4
146.03650	0.4
147.04430	0.1
147.11690	0.3
149.05975	1.0
156.94939	0.1
161.05988	9.5
162.06763	0.5
177.05466	1.2
186.90997	0.2
214.06261	0.3
224.08354	0.2
225.09192	0.3
229.08527	0.1
242.05788	0.5
255.06546	0.2
257.07913	0.2
257.11777	0.5
270.05197	0.2
270.09091	0.2
285.07654	2.4
285.11261	7.9
285.29935	0.3
286.11896	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1123
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
50.58009	0.4
53.03945	0.4
55.05507	0.6
57.07075	0.6
60.08139	0.9
60.61355	0.4
65.03925	0.4
67.05526	0.5
70.72416	1.2
71.08594	0.4
79.05501	0.7
81.07053	1.4
91.05476	4.0
93.07043	0.5
95.04957	0.7
95.08585	0.4
98.97555	0.5
105.04517	0.5
105.07020	0.5
106.04160	0.6
109.06505	1.2
109.10104	0.4
121.06507	100.0
137.05977	4.1
147.11662	0.8
152.77069	0.4
154.15100	0.4
167.60817	0.4
199.07599	0.4
211.07596	0.7
214.06305	0.8
225.05698	0.4
227.06958	0.5
239.07039	1.4
241.08719	0.6
242.05785	2.5
249.91101	0.4
253.10616	0.6
254.09338	1.1
255.06612	1.8
257.11734	27.8
270.05243	1.2
270.08664	2.3
284.33057	0.6
285.07654	11.5
285.11246	41.6
285.30054	0.7
285.33463	2.0
286.11548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
52.95503	0.9
55.01872	2.2
55.05513	14.7
57.03441	22.5
57.07051	1.5
61.21889	0.9
65.03921	1.4
67.05174	1.9
67.05507	29.2
69.06727	1.5
69.07073	17.0
70.60999	2.2
70.61399	2.3
71.04996	6.7
73.06520	1.0
79.05494	16.6
81.07062	100.0
83.04986	8.1
83.08614	9.5
85.06535	6.9
91.05489	24.3
93.07053	13.5
95.04968	1.5
95.08609	22.4
97.06540	7.8
99.08109	5.7
101.05997	2.0
105.07040	37.1
107.04927	1.1
107.08597	11.6
109.06551	5.3
109.10151	2.8
110.61606	1.2
111.08070	1.2
113.05999	1.9
119.08583	27.2
121.09315	1.6
121.10146	22.1
123.08093	4.9
123.11716	30.3
127.07549	4.3
129.06956	3.0
131.08597	2.3
133.10158	2.6
137.00867	3.3
137.05977	1.6
137.13322	2.3
141.09045	1.6
145.10104	2.1
147.11699	79.2
149.09628	1.5
153.00279	9.8
155.01909	12.3
155.62511	1.1
156.99818	1.1
157.10123	4.1
165.12764	48.7
171.01413	55.8
175.11195	4.3
178.03563	2.1
183.13754	5.9
193.12247	3.3
194.03152	4.9
211.13315	1.4
221.10275	5.6
229.14413	9.3
237.09738	17.5
242.05803	3.0
254.53520	1.1
260.11407	1.9
267.15964	6.9
270.05185	1.9
285.07642	18.1
285.16974	75.6
285.33319	1.4
303.17987	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	285.076
Annotation	Isooxoflaccidin
Peak:m/z	Relative Intensity
53.03888	0.5
55.01796	0.7
55.05441	2.5
55.05730	0.4
56.96501	0.6
57.03365	2.3
57.03665	0.5
65.03911	0.2
67.05424	3.8
67.91245	0.2
68.99716	0.9
69.03357	0.6
69.06990	1.5
69.45043	0.7
69.45471	1.0
71.04921	0.7
73.45815	0.2
79.05411	3.0
81.03333	14.5
81.03848	1.0
81.06972	6.8
83.04893	1.2
83.08623	3.2
83.09068	0.2
85.02904	1.5
85.06478	0.5
91.05480	4.4
93.07053	2.0
95.04974	4.6
95.08614	1.9
97.02832	0.3
97.06454	1.0
97.10123	0.3
98.21531	0.3
98.97489	0.9
99.08031	0.5
105.07034	4.1
107.04956	2.8
107.08587	1.8
109.06420	0.8
109.10079	0.8
110.97514	0.5
111.04384	0.5
111.08080	1.7
115.05424	0.4
117.06944	0.3
119.04922	0.5
119.08580	3.7
121.06445	0.5
121.10149	2.5
123.04430	3.8
123.08049	0.5
123.11741	1.7
125.09486	0.2
129.07018	1.6
131.04803	0.3
131.08607	1.3
133.06389	0.5
133.10042	0.9
134.03548	0.6
135.04343	0.8
137.02267	0.4
137.05870	0.3
137.09518	0.4
139.03876	1.1
142.07764	0.4
145.10071	0.6
147.04413	26.3
147.07953	0.6
147.11688	5.8
149.09544	0.9
151.03802	0.7
155.08446	0.3
157.10161	2.1
160.05103	0.4
161.05919	0.6
163.02762	0.4
163.03912	4.3
165.06984	0.6
165.12758	2.4
173.05951	0.6
175.11201	2.3
187.03914	0.4
187.07545	0.5
190.06212	0.3
191.03384	0.3
193.06427	0.6
193.12253	8.9
197.05925	0.7
200.04695	0.3
201.05521	0.3
206.05751	0.3
210.06828	0.4
211.07375	0.5
211.13339	2.2
213.05511	0.5
214.06166	0.3
215.06984	0.4
219.01718	0.6
221.06087	0.5
221.08040	1.9
222.08377	0.3
224.04640	0.3
225.05530	0.3
225.09023	0.8
229.08618	0.5
229.14279	0.4
237.02800	0.6
239.07085	0.6
242.05769	1.5
253.04955	1.3
253.08618	2.0
256.77155	0.2
257.08002	0.4
264.07559	0.8
264.57739	0.3
267.06543	0.3
267.15915	3.0
269.04449	30.6
270.05258	5.1
285.07584	100.0
285.16846	5.0
286.07889	0.7
307.06918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.03939	0.4
56.96551	0.3
65.92297	0.2
67.05507	0.5
67.34675	0.2
69.25689	1.7
69.86369	0.2
70.60950	0.2
79.05499	0.6
81.07056	0.6
91.05515	0.4
92.02619	0.5
95.04944	0.4
95.08611	0.3
98.97578	0.3
103.05470	1.7
105.03419	0.4
107.04974	0.2
109.10139	0.2
119.01295	0.2
119.08539	0.2
121.10157	0.2
125.05960	0.2
131.04932	3.5
133.02834	0.3
135.04427	1.4
137.05977	2.2
141.06989	0.4
147.04414	0.6
147.11652	0.4
151.03897	3.3
158.07272	0.6
159.07933	0.2
161.06018	0.4
168.04250	0.4
168.05663	0.3
169.06493	1.2
171.04430	1.3
171.08008	0.4
181.04977	1.8
182.03645	0.4
183.04376	1.1
184.05278	0.4
185.06001	0.3
186.06786	1.4
197.05942	1.1
198.06769	4.8
199.03918	2.6
199.07475	0.4
201.05458	0.7
201.09109	0.5
209.05934	0.4
210.03128	0.5
211.07693	0.2
212.04704	0.2
213.05476	0.5
214.06256	15.9
215.06956	0.3
225.05487	4.5
226.06244	2.0
227.03473	1.4
227.06982	0.5
229.08621	2.4
239.03400	0.5
241.04909	0.5
241.08592	4.4
242.05742	15.8
253.05038	1.9
254.05807	0.5
254.09236	0.3
257.08099	11.7
269.04315	0.9
270.05240	3.6
284.29440	0.5
285.07584	100.0
286.07809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Acacetin
Peak:m/z	Relative Intensity
52.23870	0.2
53.03933	0.4
55.05504	0.6
57.03443	0.6
57.07058	0.2
64.10909	0.2
67.05518	1.7
69.07083	0.5
70.06572	0.2
71.05009	0.3
79.05489	0.7
81.03408	0.6
81.07059	2.7
81.65375	0.2
83.04987	0.3
83.08601	0.4
85.06536	0.2
91.05470	1.1
92.02607	0.3
93.07048	0.6
95.04982	0.5
95.08584	1.0
98.97596	0.3
98.98406	0.2
99.10939	0.2
105.03387	0.4
105.07045	1.2
107.08561	0.5
107.93026	0.2
108.71426	0.2
109.06527	0.3
115.05465	0.3
119.08568	0.8
121.10136	0.7
123.08063	0.2
123.11703	1.0
128.06232	0.3
133.10130	0.3
135.04440	1.2
147.11688	2.3
151.03915	3.6
158.07239	0.4
165.12794	1.5
169.06439	0.6
171.04449	1.1
182.03546	0.3
183.04398	0.6
184.05212	0.4
186.06752	1.3
193.12289	0.3
197.05974	0.5
198.06776	3.6
199.03922	2.6
199.07524	0.3
201.05540	0.5
201.09068	0.6
209.06006	0.4
210.03200	0.4
211.13292	0.4
213.05571	0.4
214.06258	13.9
225.05446	3.9
226.06209	1.7
227.03378	2.4
227.06990	0.6
229.08604	2.1
229.14417	0.4
239.03403	0.6
239.07104	0.4
241.04939	0.5
241.08603	4.7
242.05746	16.3
253.04994	2.1
254.05812	0.7
257.08096	12.8
262.04303	0.4
270.05228	4.0
271.05798	0.3
284.29425	0.5
285.07574	100.0
285.16882	1.9
285.29752	1.0
286.07922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.03952	0.4
55.05510	0.5
57.07081	0.4
63.02392	0.2
67.05508	1.6
69.07054	0.5
71.55177	0.4
71.55557	0.2
72.93765	0.3
73.79175	0.2
79.05486	0.5
81.07063	1.8
82.07348	0.2
83.08620	0.3
91.05493	0.6
92.02636	0.7
93.07034	0.6
95.04951	0.6
95.08638	1.3
98.97567	0.3
101.89099	0.2
105.03426	0.3
105.07033	0.6
109.10164	0.5
114.17872	0.2
116.98553	0.3
121.10167	0.2
123.11698	0.3
132.95889	0.4
133.10144	0.3
135.04428	1.4
137.05998	1.4
145.10138	0.3
147.11739	0.4
151.03900	4.1
158.07318	0.4
158.97496	0.3
161.06059	0.2
164.98445	0.6
168.05710	0.3
169.06499	0.7
171.04437	0.8
171.08008	0.3
182.63298	0.2
183.04456	0.8
184.05231	0.4
186.06703	1.5
197.05968	0.5
198.06757	3.3
199.03903	2.0
199.07219	0.2
201.05444	0.6
201.09131	0.6
205.76752	0.2
206.09380	0.2
206.99547	0.3
209.06017	0.5
210.03172	0.6
211.07526	0.5
214.06265	14.6
215.06868	0.5
225.05489	4.0
226.06261	1.5
227.03452	0.9
227.06987	1.0
229.05038	0.3
229.08627	2.4
234.99014	0.2
238.02652	0.2
239.03639	0.5
241.04980	0.4
241.08633	5.3
242.05751	14.3
253.05093	1.9
254.05753	0.4
257.08112	10.7
270.05249	4.2
284.29590	0.3
284.33020	0.5
285.07590	100.0
286.07965	0.8
309.02841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.5
55.01821	0.8
55.05472	0.9
56.04998	0.6
56.96502	0.7
57.03387	0.4
58.06542	0.6
58.38356	0.5
59.04929	2.5
67.05436	1.3
69.03381	0.8
69.07002	1.4
69.07346	0.5
70.02885	2.3
70.06520	4.5
70.13828	1.9
72.04445	0.6
72.08102	0.9
79.05421	2.0
79.05869	0.8
80.04968	0.7
81.03374	1.0
81.06979	2.1
82.06516	0.7
83.08537	0.9
84.04443	1.6
84.08123	0.8
85.02834	1.0
85.58531	0.4
86.09629	1.6
88.03975	2.4
89.05952	2.1
91.05487	4.5
93.07052	4.6
94.06532	0.7
95.04914	0.7
95.08610	2.9
96.04472	0.5
97.02841	0.7
97.06496	0.9
98.06000	0.8
98.20811	0.4
98.97519	1.3
103.05391	0.5
105.03352	0.5
105.06949	1.5
106.06502	0.6
107.04935	0.5
107.08615	2.1
108.08121	7.8
109.02789	0.6
109.06459	0.7
109.10074	0.7
110.05968	0.9
110.07105	0.7
110.09619	1.2
112.07533	2.0
114.05449	0.6
115.05389	0.6
116.03374	1.8
118.04974	0.8
118.06429	0.5
119.04869	1.4
119.08499	0.9
120.08008	1.5
121.02816	0.6
121.06430	1.9
121.10114	0.9
122.06799	0.5
122.09673	6.8
123.10410	1.1
124.03876	1.4
127.03876	0.6
129.06967	0.4
130.04958	0.5
130.06453	0.9
131.04852	0.9
133.08549	0.8
133.10098	0.7
134.06029	0.7
135.04362	0.6
135.11699	3.8
136.05194	0.6
136.11209	2.8
137.05943	2.2
137.13136	0.7
138.05453	0.5
138.09145	0.5
140.06984	1.2
140.10661	1.1
145.02733	0.6
145.05064	0.6
147.04329	1.0
147.11609	0.5
149.05981	2.6
150.05499	0.5
150.12785	9.7
151.07469	1.2
151.09596	1.5
151.13562	6.2
152.07132	0.6
153.15080	0.5
160.07494	0.5
164.07094	0.9
164.14308	1.2
165.07025	2.7
165.09065	1.1
166.07613	0.9
166.12175	0.7
166.15755	0.7
167.07207	1.5
167.08507	1.8
168.06520	1.4
168.08064	1.3
173.01144	0.5
174.05446	1.7
175.06172	0.5
176.07047	1.0
177.05423	1.0
178.07733	1.0
178.15912	4.1
179.08566	2.8
180.08061	1.7
180.10277	0.6
181.06406	1.2
181.08853	4.5
181.10257	0.6
182.09625	1.1
186.11180	1.1
187.06329	0.8
190.07678	0.7
191.07149	0.7
191.08578	8.4
192.07997	1.3
192.13814	0.8
193.06464	0.8
193.08836	2.2
194.07243	0.7
194.09627	1.9
194.15433	2.9
195.07990	1.8
195.10400	0.5
196.09750	0.8
196.11241	4.9
196.16966	0.6
198.06720	0.6
202.07806	0.5
206.09674	3.6
207.08124	1.6
208.07524	0.9
208.11243	7.9
209.05859	0.8
209.08315	3.0
210.09149	0.5
210.11180	1.6
210.14897	2.6
211.07666	0.7
213.07831	1.3
214.08569	2.7
219.08061	7.8
222.09038	1.1
222.14897	0.8
223.07495	1.3
223.09866	1.0
224.08536	1.0
224.10693	18.0
225.09198	0.7
226.08511	1.1
227.09245	0.6
228.10217	0.6
234.09149	1.0
235.09857	0.7
236.07208	0.9
236.10710	6.6
237.02855	0.5
237.07710	4.3
238.08745	0.9
238.14319	0.8
239.07074	0.8
240.10460	1.9
240.15953	100.0
241.08478	1.4
241.16223	0.7
242.17525	4.6
242.55994	0.5
243.14034	0.6
249.09117	4.0
250.08643	2.7
251.09415	4.1
252.10214	8.3
253.10973	0.7
255.12396	0.7
256.09735	4.1
256.13358	1.3
264.10287	2.7
266.11758	45.5
267.17972	1.2
268.10721	0.7
268.13361	1.6
268.63431	0.6
269.05045	0.5
269.07883	2.4
269.10730	0.6
274.65530	0.6
283.15390	0.5
284.06213	0.9
284.09613	10.1
284.12872	63.3
284.18558	66.1
284.29489	1.7
285.18793	0.8
287.50177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1283
Annotation	Coccoline
Peak:m/z	Relative Intensity
50.99269	0.8
55.01269	0.7
58.91932	0.8
62.86218	0.8
67.01846	1.9
73.02905	3.5
74.29933	0.8
79.45937	0.7
84.04498	2.7
84.08128	1.2
89.06027	1.3
91.05477	3.3
95.04984	0.9
97.06559	1.9
105.03389	2.5
105.07031	1.3
115.05446	1.1
117.05814	1.1
117.07043	0.7
118.06538	1.0
119.04946	1.3
129.06999	1.7
130.04984	1.1
130.06517	1.9
135.04428	0.8
136.08551	0.8
137.05966	1.1
137.19702	0.9
141.06970	1.8
149.06015	1.5
151.07518	3.8
152.06181	1.2
153.06946	1.5
154.06531	1.2
155.08524	1.5
156.08090	1.6
165.07013	4.7
166.07767	1.9
167.07289	7.0
167.08575	3.1
168.08081	6.3
174.05507	7.2
175.06306	2.9
176.07100	0.8
178.07846	1.7
179.08562	6.0
180.08072	10.3
181.06424	2.1
181.07175	1.1
181.08859	20.3
182.09607	3.7
183.08134	0.7
184.07652	1.1
185.06018	1.0
189.07039	1.4
190.07782	1.3
191.07167	1.4
191.08586	11.2
192.08072	1.4
193.06448	1.2
193.08910	1.0
194.07394	1.6
194.09665	7.3
195.08073	2.4
195.10455	4.0
196.07643	0.8
196.11209	26.1
204.08090	1.8
205.08847	1.5
206.09645	10.3
207.08046	2.5
208.07610	3.5
208.11218	1.7
209.06255	1.5
209.08235	13.9
210.09198	1.2
214.08672	1.0
215.09344	1.1
218.07204	1.0
219.08069	10.6
222.09114	4.7
222.14983	2.0
223.07495	1.2
223.09846	2.2
224.10709	97.4
225.08980	1.0
234.09055	1.1
236.10745	1.6
237.09286	1.7
238.08606	1.2
239.14915	1.9
241.08673	1.1
249.09039	2.3
252.10217	20.0
264.10196	1.6
266.11658	3.9
284.12820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1281
Annotation	Huperzine
Peak:m/z	Relative Intensity
54.43391	0.4
67.62370	0.5
68.72410	0.5
69.74921	2.1
80.82199	0.4
86.09715	0.5
91.05492	3.5
98.21474	0.9
103.05470	0.7
105.42066	0.5
119.04927	1.2
125.28962	0.5
126.97630	0.5
130.06503	0.6
137.05963	0.8
145.05247	0.6
149.05965	2.4
159.57367	0.4
159.58844	0.4
165.07010	2.7
166.07733	0.7
167.07237	0.7
167.08566	1.1
168.08092	0.5
174.05489	1.3
175.06331	2.4
178.07770	1.6
179.08556	2.6
180.08131	1.8
181.06506	0.6
181.08806	2.3
182.91637	0.5
187.06342	0.7
189.07054	0.6
190.07735	1.9
191.06937	0.7
191.08574	13.3
192.08046	1.8
193.06525	1.4
193.08792	3.4
193.10222	0.4
194.07257	0.6
194.09598	1.1
195.10405	0.5
196.11235	2.0
202.07881	0.5
206.09665	3.0
207.08076	3.1
207.10352	0.9
208.07964	0.5
208.11238	14.5
209.06194	0.6
209.08234	1.2
210.09099	0.6
212.68585	0.5
213.07718	0.9
219.08070	9.1
219.10161	0.9
221.08289	1.2
222.09108	0.6
223.07523	1.8
223.09634	0.7
224.07066	1.8
224.10709	7.1
226.08684	0.9
227.09370	0.5
228.10287	0.7
229.07472	0.8
234.09206	1.3
236.06955	1.1
236.10712	13.6
237.07828	7.4
238.08673	1.4
238.12215	0.7
249.09126	8.0
250.08690	3.8
251.09402	7.1
252.10159	2.8
256.09680	5.0
264.10199	8.0
265.11041	1.0
266.11771	100.0
267.12143	0.8
269.08218	0.6
273.55621	0.5
284.09305	13.3
284.12817	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1283
Annotation	Morphinone
Peak:m/z	Relative Intensity
55.01860	0.3
56.05029	0.3
58.06602	0.5
59.04993	1.2
69.03419	0.3
69.52605	0.6
69.53014	1.1
70.06582	0.7
80.05018	0.2
81.03436	0.2
84.04491	0.4
84.08134	0.6
85.02892	0.5
86.09715	0.5
87.04465	0.4
89.06036	4.5
90.06358	0.9
91.05477	0.9
92.51892	0.3
93.07043	0.3
95.04955	0.4
98.97575	0.2
103.03919	0.4
106.06561	0.3
109.71601	0.2
110.27865	0.2
117.05553	0.4
119.04877	0.3
120.08093	0.3
122.06036	0.6
130.06512	0.6
133.08618	1.6
134.08952	0.7
135.04468	0.4
137.05969	0.5
141.06961	0.4
147.04356	0.3
149.05984	1.0
151.09685	1.2
153.06934	0.7
158.05974	0.3
165.07025	4.5
166.07782	1.7
167.07213	0.3
167.08562	0.6
174.05461	1.3
175.06317	0.3
176.07091	0.6
177.11163	0.6
178.07828	0.7
179.08586	2.7
180.08102	0.6
181.06531	1.6
181.10091	1.5
187.52385	0.3
188.07137	0.9
189.06940	0.5
190.07779	3.2
191.08569	22.7
193.06459	2.7
193.08821	1.4
194.07256	2.4
196.11258	0.4
200.06960	0.3
201.07039	1.2
202.07840	0.9
203.08682	0.3
205.06520	1.3
206.09674	0.5
207.08095	2.0
208.11238	3.9
209.06015	5.1
209.09726	2.4
211.07645	0.4
213.07791	0.3
218.07306	2.3
219.08067	23.4
221.06186	0.3
221.08318	0.5
221.13971	0.4
222.09085	0.4
223.07579	3.8
223.09764	0.5
224.08342	2.9
224.10738	1.0
225.05486	0.5
225.09250	0.4
226.06509	0.3
226.08595	1.4
228.10168	0.3
229.07628	0.5
234.09076	0.4
235.09848	0.3
236.10687	2.7
237.09386	3.4
238.06247	3.6
238.08701	0.9
239.07004	0.7
240.10185	1.2
241.11087	0.6
243.63857	0.5
249.09145	5.0
250.08714	1.0
251.09428	2.0
252.10342	0.6
256.09811	0.7
256.13437	0.9
264.10205	0.8
265.64902	0.3
266.11801	6.8
267.10284	1.3
267.14478	1.3
284.12830	100.0
285.13058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.81451	0.2
52.96061	0.2
54.87506	0.2
55.01874	0.4
56.22168	0.2
57.03440	0.2
62.44398	0.2
62.89432	0.2
69.03447	0.2
69.68517	1.2
72.08160	0.2
73.02934	0.3
82.89999	0.2
85.02872	0.2
87.65968	0.2
91.05479	1.8
98.20760	0.4
101.00890	0.2
109.05138	0.2
110.03524	2.1
110.07123	0.2
119.04924	0.8
128.04538	0.5
130.05232	0.2
133.05019	0.2
135.03020	5.3
136.01503	0.2
137.05974	4.5
152.05681	100.0
153.04091	3.6
154.06441	0.4
155.07399	0.2
155.08667	0.3
165.07021	0.4
167.07283	1.7
167.08517	0.3
168.08105	0.7
168.89491	0.2
169.08910	0.5
180.08058	0.4
181.08833	0.3
182.09663	4.0
183.10455	0.6
184.07545	0.3
184.11194	0.6
192.08005	1.0
193.08769	0.2
194.09662	0.6
196.07579	0.9
197.08379	0.3
198.05527	0.3
208.07475	0.4
210.09149	4.2
211.09889	0.8
212.10716	0.7
220.07562	0.3
222.09140	0.6
224.07030	0.4
238.08623	3.7
239.09377	0.3
240.10081	0.4
242.04498	1.6
256.09695	0.3
261.02859	0.4
264.25430	0.2
266.08176	0.3
268.06128	0.3
269.06842	0.3
282.07498	0.4
284.09155	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	283.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12087	0.6
55.05515	0.9
56.96568	0.7
57.03422	0.7
58.06589	1.6
62.90785	0.7
66.89002	0.7
69.03435	1.5
70.06590	2.3
71.04996	1.3
71.56604	1.1
72.08159	1.0
73.06566	1.1
76.93040	0.8
79.05531	1.1
81.03408	0.9
81.07051	1.9
84.04518	2.2
84.08152	1.8
85.02926	1.7
86.09684	1.3
87.04476	1.6
88.03988	1.1
89.06035	100.0
91.05477	2.5
95.04996	1.3
97.02852	0.9
98.97598	1.6
102.05547	2.1
105.07023	0.9
106.97441	0.7
107.04955	2.1
107.07082	2.0
108.05323	1.1
109.02923	1.4
110.07163	1.6
118.06569	1.2
119.04974	0.8
119.73618	0.7
120.04496	0.7
120.08142	1.0
121.02891	15.2
130.06558	1.1
130.28514	0.7
131.04950	1.0
133.08611	44.9
136.06200	1.4
137.05989	1.5
138.09155	2.5
139.03935	0.9
139.96078	0.7
140.16319	0.7
143.07288	0.8
146.06007	1.5
147.04434	0.8
148.06067	0.9
149.06239	0.9
153.83058	0.6
154.07605	1.5
158.99638	0.8
160.15401	0.7
176.07172	1.1
176.10724	1.1
177.11211	8.8
190.09531	0.9
195.12335	1.3
201.05560	0.8
205.10982	2.7
206.11804	2.8
207.12027	1.0
218.11867	1.6
227.12315	1.0
231.38672	0.7
239.15005	2.3
243.13622	6.2
248.43156	0.7
265.12506	1.0
265.14874	4.3
274.15414	3.3
283.10468	2.0
283.17880	8.2
284.12759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78522	0.5
68.26469	0.4
70.72855	0.8
70.73180	0.7
73.06560	0.8
74.15598	0.5
84.04501	0.7
87.04470	1.7
88.03991	0.8
89.06033	100.0
96.27467	0.5
102.05566	0.9
103.05894	0.5
107.04952	1.1
107.07090	1.7
110.50537	0.4
121.02885	1.6
133.08607	43.8
137.05930	0.6
151.09653	0.9
177.11240	9.6
191.08569	0.6
195.12343	2.2
202.51697	0.5
221.13818	0.5
239.14929	2.1
243.13652	0.9
255.62482	0.5
265.10696	0.8
265.14880	0.4
283.17557	7.2
284.12836	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	283.2057
Annotation	8-18 bonded retinal
Peak:m/z	Relative Intensity
53.03943	4.7
55.05513	10.3
56.96555	2.4
57.07075	4.2
63.59996	1.7
65.03954	2.6
67.05512	19.8
69.03416	7.6
69.07069	14.1
70.03262	1.9
71.05005	13.3
71.57095	3.2
79.05497	22.4
81.07062	37.4
83.04990	3.1
83.08612	8.1
85.06586	2.5
89.06034	4.6
91.05484	23.8
93.07047	31.8
94.09834	1.9
95.04987	12.2
95.08608	21.3
97.06541	8.5
97.10166	2.0
98.97591	3.7
105.07040	52.5
107.08598	37.1
109.06516	9.1
109.10166	21.8
115.05482	2.6
117.06439	1.5
117.07027	15.1
119.07792	3.1
119.08598	43.4
121.06526	10.8
121.10155	66.3
123.08076	6.5
123.11697	7.7
124.86357	1.8
128.06215	4.5
129.07062	3.8
130.07817	4.7
131.08569	36.0
133.10136	36.5
135.08075	12.2
135.11682	11.4
141.07043	2.7
142.07761	6.4
143.08568	24.0
144.09346	4.1
145.10139	46.0
146.07243	3.8
147.08049	2.4
147.11684	11.4
149.13261	2.9
155.08551	5.3
156.09351	4.1
157.10141	20.4
158.10915	6.9
159.08072	5.3
159.11728	14.1
161.09633	33.0
161.13232	3.9
163.11168	7.7
165.01868	4.5
165.07022	3.0
167.08603	3.6
169.10127	5.9
170.10931	3.4
171.11697	16.2
173.09612	4.2
173.13281	63.0
175.11211	4.2
175.14842	6.1
179.08612	4.3
181.10095	8.1
182.10945	2.1
183.11642	10.3
185.09610	3.4
185.13309	14.8
187.14804	8.7
189.12770	2.3
191.14284	2.6
193.10139	2.7
194.10945	4.2
195.11604	8.9
196.12555	2.9
197.13268	6.7
199.11258	3.5
199.14838	11.0
201.16420	3.0
208.12447	3.3
209.13303	16.2
209.78070	1.9
210.14102	2.3
213.12682	6.6
213.16409	5.6
223.14821	12.0
225.16444	6.0
227.12407	1.9
227.14288	9.2
235.14833	3.5
237.16374	2.7
241.19365	2.9
255.21048	8.6
265.19559	25.3
283.06015	11.2
283.09283	4.3
283.15869	8.8
283.20578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.9
52.47888	0.5
53.03938	2.9
55.01874	3.0
55.05513	10.2
56.96557	1.1
57.03439	10.3
57.07067	1.9
59.76868	0.6
64.06053	0.7
65.03938	0.8
67.05173	0.9
67.05509	14.2
69.03413	1.7
69.07068	7.1
69.23758	5.7
71.01347	0.5
71.04980	2.2
73.02903	1.5
77.03919	0.7
79.05494	19.8
81.03414	2.5
81.07056	18.6
83.05007	3.7
83.05438	0.7
83.08623	6.7
85.02862	0.8
91.05477	6.7
93.07047	32.8
95.04959	6.2
95.08609	33.8
97.02914	2.9
97.06544	3.3
97.10165	1.2
98.21496	1.4
98.97578	2.4
99.04446	4.3
100.11309	0.6
103.05480	1.8
104.05780	0.7
105.04521	0.6
105.07024	7.9
107.04957	10.3
107.08597	26.4
109.06545	3.2
109.10153	2.7
111.04407	1.2
111.08047	1.7
113.05978	1.1
117.07019	9.1
119.08582	9.0
121.02883	3.7
121.06502	5.1
121.10158	11.7
123.11716	0.8
123.39873	0.6
125.05978	2.1
129.07042	1.2
130.07774	2.0
131.04970	0.8
131.08540	1.5
133.10170	2.9
133.88646	0.6
135.08066	1.2
135.11697	42.4
137.05991	0.7
139.07549	2.0
142.44269	0.7
143.08578	1.1
145.10124	23.6
147.11652	0.7
149.13266	0.7
153.12784	0.9
155.08524	1.1
157.10081	0.7
163.11183	52.3
165.01855	5.9
173.09598	1.9
173.13206	0.7
181.12242	13.1
183.02867	1.1
185.13391	0.6
188.98154	0.6
191.25395	0.6
195.10088	0.5
196.61198	0.6
201.16484	0.6
201.63499	0.7
209.11679	2.2
213.05490	1.0
227.12785	100.0
228.13181	1.1
257.47052	0.6
266.12418	0.8
267.12003	1.0
268.03665	0.6
282.66031	0.8
283.06039	18.9
283.09399	2.0
283.15363	39.2
283.18466	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0602
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
53.94551	0.4
55.01877	0.8
55.05508	0.5
56.96564	0.6
57.03432	0.4
57.07069	0.4
67.05481	1.0
69.07059	0.8
69.45786	0.3
70.85439	1.1
79.05488	0.6
81.07056	1.6
83.08607	0.8
89.06039	0.5
91.05480	0.7
93.07015	0.8
95.08603	0.9
98.97591	1.1
105.07045	0.5
107.08590	0.7
109.10175	0.4
111.04447	0.4
121.02931	0.5
121.10139	0.8
125.66264	0.3
135.11739	0.5
137.93474	0.4
163.11186	0.8
165.01772	0.7
168.05736	4.2
168.11046	0.4
171.08078	4.6
180.48711	0.4
181.06538	0.5
184.05209	1.8
186.35651	0.4
196.05222	7.3
211.07542	12.3
212.04663	7.2
220.64735	0.4
224.04742	2.7
227.07034	20.8
228.04178	0.7
239.07034	3.3
240.04184	3.9
252.04201	1.3
255.06540	20.3
267.11575	0.4
268.03650	8.9
278.00854	0.4
283.06024	100.0
283.14862	2.8
284.06366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.129
Annotation	Thr-Tyr
Peak:m/z	Relative Intensity
53.55116	0.3
56.05027	1.3
56.96554	0.6
65.03950	0.5
69.03426	0.4
70.06609	0.4
70.18056	1.0
81.07063	0.5
84.04509	22.9
84.08140	0.5
85.02908	1.9
91.05484	11.4
102.05547	1.0
107.04961	0.5
109.06499	0.9
119.04955	9.5
121.02904	0.5
130.04036	0.7
130.05009	14.8
137.05983	100.0
138.06328	0.4
140.55667	0.3
146.17355	0.3
154.08636	21.7
191.63855	0.3
206.11784	0.4
207.12080	2.3
220.09666	3.6
220.11592	0.4
237.12370	3.9
244.87148	0.3
266.10251	16.6
280.12958	0.3
283.06110	0.5
283.12912	19.2
293.65344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.01863	4.3
55.05507	13.8
57.03436	9.9
57.07058	6.2
58.39703	1.4
67.05505	19.8
68.70329	1.5
69.03436	1.8
69.07062	8.2
71.04986	2.3
71.54986	1.7
73.02943	1.8
79.05496	24.2
81.03404	2.4
81.07056	18.8
83.04997	2.7
83.08607	8.2
83.85734	1.4
89.06020	5.1
91.05463	9.1
93.07045	37.0
95.04954	7.1
95.08607	37.5
97.02877	4.2
97.06535	4.7
99.04411	3.0
104.10407	1.4
105.07043	11.4
107.04961	10.0
107.08599	26.8
109.06526	2.7
109.10184	3.4
111.04464	2.0
117.07040	9.0
119.08585	11.9
121.06510	8.1
121.10151	12.3
125.05988	4.1
129.06993	2.5
130.07722	2.0
133.10135	3.2
135.08060	3.3
135.11690	49.6
136.93102	2.6
139.07480	2.0
145.10123	27.7
154.94144	2.9
163.11188	64.0
165.01967	1.6
172.95280	5.3
181.12236	14.3
183.11821	1.7
227.12785	100.0
228.13210	1.8
228.97818	4.1
246.98872	2.8
262.12204	2.2
283.05804	2.7
283.15372	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	282.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25696	0.2
53.06281	0.2
70.06596	0.4
70.60399	0.7
84.04491	0.5
84.08150	2.9
85.02932	0.3
88.37800	0.2
98.20523	0.2
107.04967	0.7
123.04512	0.3
123.82838	0.2
128.06302	0.2
130.05026	0.5
131.08598	0.3
136.06169	0.8
143.08560	1.3
145.06491	0.3
147.04425	0.3
150.07751	1.3
157.92778	0.2
159.08043	0.7
160.05220	0.6
160.11211	0.9
161.06004	1.2
162.05516	0.6
164.07080	2.5
171.08104	1.5
176.07088	0.3
177.07861	16.3
177.09071	0.6
188.10715	1.3
189.09109	0.9
204.10243	0.5
206.11784	100.0
232.13290	0.5
250.14427	0.3
264.16016	1.8
282.17087	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	282.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48808	0.5
55.01838	1.2
57.03381	3.8
58.06559	1.1
61.02868	3.4
69.03413	0.8
70.02906	0.6
70.06544	1.0
71.56642	0.9
72.08139	0.5
77.55442	0.6
79.05444	1.6
81.03371	0.9
81.06996	0.7
84.04439	1.8
84.08096	1.2
85.02889	0.8
91.05490	7.4
93.07006	1.7
97.02817	0.6
103.05437	1.0
105.07029	5.9
107.04905	2.5
109.02874	0.8
115.05447	1.3
117.07023	3.6
119.04879	0.8
119.08533	1.7
120.05701	0.6
121.06504	3.2
123.04472	0.7
128.06239	3.6
129.06985	0.8
130.06532	0.8
131.04929	1.1
131.08589	1.1
133.06503	18.2
133.10123	3.5
135.04376	1.2
135.08055	0.7
137.05919	1.3
141.06964	1.9
143.08574	4.8
145.06451	2.4
146.07228	1.1
147.04420	0.8
147.08113	2.9
149.05998	13.7
150.07732	1.0
153.05478	1.2
153.06960	0.8
154.07716	1.8
157.06537	1.4
158.07326	0.8
159.08017	1.6
161.05972	2.0
161.09624	15.7
162.03194	0.7
163.07529	7.0
167.07079	3.8
169.10083	1.7
171.08060	4.1
174.06836	1.1
175.07607	0.9
177.09129	7.7
179.08560	0.9
187.11217	3.2
189.09123	100.0
190.04407	0.8
194.09608	1.0
197.09654	0.9
199.04944	0.8
205.12305	5.4
206.11784	27.8
206.13734	1.3
210.09096	0.8
213.07872	1.1
215.10690	8.4
222.09167	9.0
222.11142	1.3
226.08665	0.9
232.13380	3.3
233.11728	14.3
236.10753	1.7
238.12349	1.9
247.13332	5.2
249.07724	0.8
250.08780	2.5
250.12247	1.1
250.14510	1.8
251.13199	1.8
252.10374	1.3
253.11060	0.7
254.08304	2.1
254.11771	0.7
264.10223	1.9
264.16052	9.0
265.14371	29.1
266.11768	5.5
267.12686	1.8
271.07175	0.9
282.08066	1.0
282.11533	4.1
282.14987	21.2
282.22141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05502	1.1
57.03434	2.9
58.06587	2.0
61.02910	2.6
61.63293	1.0
69.07040	1.0
70.02953	6.3
70.06587	1.6
70.60848	2.2
70.61232	2.2
71.04980	1.6
72.08135	1.3
79.05485	2.2
81.07055	1.4
84.04491	2.0
84.08150	2.3
86.41789	1.1
88.03994	61.6
91.05476	12.3
93.07043	1.9
93.26576	1.0
103.05472	2.6
105.07024	9.4
107.04936	3.5
109.02819	1.5
115.05424	1.8
117.07017	3.2
119.04918	2.2
120.08073	1.1
121.06508	4.1
123.04398	1.3
128.06239	3.9
131.08572	1.1
132.05688	1.5
133.06487	19.0
133.10153	2.9
134.09612	1.4
135.04405	2.0
137.05956	2.8
141.07027	1.4
143.08545	5.6
145.06421	2.3
146.07263	1.6
147.04388	4.5
147.07941	1.1
149.05135	1.0
149.06004	11.0
151.07486	1.2
152.05692	11.6
154.07741	1.2
158.07315	1.2
159.07999	1.9
161.09633	14.5
162.06761	1.7
163.07564	7.8
167.07027	4.5
169.10080	1.9
171.08075	5.5
175.05099	1.0
177.09094	14.6
187.11197	2.6
189.09109	100.0
205.12282	5.0
206.11769	35.1
215.10638	9.6
219.07780	1.1
221.09500	1.3
222.09152	10.1
222.11024	2.1
232.13298	3.1
233.11717	22.3
235.07520	2.2
247.13387	5.1
250.08667	3.6
250.14383	3.6
254.07996	2.3
264.10080	2.5
264.15979	16.3
265.14334	25.0
266.11624	2.9
267.10196	5.1
282.07874	2.8
282.12296	13.2
282.15399	7.0
282.22058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39991	0.1
55.01883	0.2
56.96564	0.1
57.03441	0.2
58.06593	0.1
61.02930	0.2
65.47430	0.1
65.79154	0.1
69.03419	0.2
70.06606	0.1
70.97101	0.3
73.02924	0.3
82.06596	0.1
84.08150	8.5
85.02898	0.5
86.80011	0.1
88.00383	0.1
91.05486	1.0
94.35501	0.1
94.93024	0.3
96.08083	0.1
96.36890	0.1
97.02876	0.2
98.97591	0.2
107.04987	0.2
115.05446	0.2
119.04951	0.6
123.04405	0.2
127.03984	0.2
128.06232	0.3
131.04922	0.2
131.08583	0.4
133.06491	0.3
135.04401	0.8
137.05983	3.7
143.04916	0.1
143.08569	1.4
145.06508	0.2
147.04361	0.2
148.05170	0.3
149.06001	0.3
150.07759	1.2
159.06880	0.2
159.08057	0.8
160.05186	0.9
160.11226	0.8
161.06006	1.9
161.09602	0.2
162.05479	0.8
163.06299	0.2
163.07530	0.2
164.07086	2.9
171.08086	1.2
176.07062	0.5
176.93590	0.1
177.07857	18.5
178.08572	0.4
188.10704	1.4
189.05550	0.1
189.09088	1.1
190.08742	0.2
191.09547	0.1
192.05484	0.3
200.04355	0.1
200.54549	0.2
204.10190	0.5
206.11772	100.0
207.12120	0.6
217.05025	0.2
218.08124	0.6
236.09177	0.4
250.14458	0.2
264.08612	0.3
264.15955	1.6
265.07108	2.2
282.09769	1.1
282.16995	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	282.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66885	0.3
55.01878	0.4
69.07066	2.5
70.84986	0.6
70.85303	0.4
79.05498	2.1
81.07057	0.5
85.78185	0.4
91.05494	3.1
94.43946	0.4
97.06533	10.9
105.07006	0.4
106.06551	0.4
107.04959	0.8
108.28319	0.3
119.04938	1.2
121.06525	0.4
123.04462	0.5
129.09123	1.0
133.06425	0.6
134.06050	0.4
135.04425	0.8
137.05984	12.5
147.04416	1.0
148.05206	1.0
149.05931	0.5
164.07077	1.1
165.07082	0.5
165.09120	1.0
176.07088	0.4
177.09090	3.6
178.07780	0.8
179.08563	1.8
181.06340	0.3
186.05397	0.4
189.06967	1.1
189.09123	2.8
190.07861	0.5
191.08629	0.7
193.06509	0.4
195.08087	0.5
196.08891	0.5
203.08682	0.5
203.10548	0.3
205.06584	0.4
205.10393	0.4
206.09633	2.4
206.11769	2.4
207.08058	1.5
208.11253	0.8
209.08382	1.1
209.12047	0.5
210.09167	1.5
215.10661	1.5
217.06480	0.8
218.07233	0.7
219.08054	0.9
219.10284	0.6
220.11189	0.7
221.09868	0.7
221.12019	1.2
222.10513	0.4
223.07800	0.5
223.09918	1.3
224.08423	0.7
224.10757	1.3
226.08777	0.4
232.13295	0.3
233.09543	0.7
233.11734	7.7
234.09058	1.4
234.10500	1.4
235.07632	4.0
235.09818	0.7
235.13303	0.6
236.08337	0.5
236.10704	7.4
237.11469	1.2
238.08623	1.4
238.12292	6.8
238.18050	1.0
239.10736	0.7
240.10220	0.4
247.13309	4.4
248.10707	0.8
249.09047	0.6
249.11469	0.7
250.09871	5.4
250.12305	7.2
250.14726	0.7
251.09296	0.5
251.10443	0.5
251.13078	9.0
252.10178	4.8
253.10957	3.1
262.08771	0.4
264.10226	4.9
264.15961	9.8
264.18781	0.5
265.12122	2.0
265.14441	1.2
266.11774	28.2
267.10083	2.1
267.12567	5.8
280.13358	2.5
282.11972	8.3
282.14899	100.0
283.15280	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11685	0.1
53.43690	0.1
69.07072	0.2
69.94808	0.3
69.95190	0.1
75.04486	0.1
79.05498	0.3
87.04469	0.3
91.05483	1.0
97.06535	0.4
105.07021	0.1
106.06580	0.2
107.04971	0.1
115.05502	0.1
118.06558	0.2
119.04975	0.1
121.06516	0.5
128.04953	0.3
130.06575	0.1
133.06572	0.1
135.04359	0.3
137.05986	0.6
146.06046	0.1
147.04492	0.1
147.06810	0.1
148.05244	0.1
150.06783	0.3
151.07504	0.1
152.14371	0.2
153.07001	0.1
154.06561	0.1
156.04425	0.4
160.07629	0.1
161.05968	0.1
165.06998	0.4
165.09135	0.7
167.07304	0.1
167.08618	0.1
168.07964	0.1
174.05479	0.1
174.06837	0.1
175.06287	0.2
175.07600	0.1
176.07109	0.4
177.06958	0.1
177.09109	0.1
178.07750	0.7
179.08554	2.0
180.08055	0.1
181.06532	0.1
181.08932	0.1
182.09703	0.2
183.06734	0.1
184.07568	0.1
185.08264	0.1
186.05540	0.3
189.06982	1.2
190.07823	0.3
191.07207	0.2
191.08655	0.5
192.05789	0.1
192.08066	0.2
193.06491	0.3
193.08858	0.2
193.10271	0.1
194.07201	0.1
194.09671	0.3
195.08118	0.2
196.07397	0.3
196.11269	0.2
197.08182	0.1
198.09200	0.1
202.07845	0.2
203.08484	0.6
204.08076	0.2
204.09613	0.1
205.06523	0.1
205.08862	0.2
205.10374	0.1
206.07597	0.1
206.09653	2.4
207.06213	0.1
207.08073	1.9
207.10295	0.2
208.07420	0.1
208.09099	0.1
208.11197	1.0
208.13097	0.1
209.06229	0.1
209.08261	1.3
209.11734	0.3
210.09125	1.6
210.12766	0.1
211.06197	0.1
211.09782	0.1
212.07068	0.1
213.07915	0.1
214.08601	0.1
216.08127	0.1
216.10161	0.1
217.06499	1.2
217.08784	0.2
218.07272	0.9
218.09619	0.2
219.08066	1.0
219.10416	0.4
220.09146	0.1
220.11128	0.9
221.05927	0.2
221.09641	0.6
221.12004	1.3
222.06792	0.1
222.09154	0.4
222.12633	0.1
223.07620	0.2
223.09850	1.1
224.06807	0.4
224.08717	0.1
224.10617	1.5
225.07741	0.1
226.08652	0.4
227.09409	0.3
228.10139	0.3
229.11008	0.1
232.07498	0.1
233.09554	0.3
233.11812	0.3
234.09076	1.9
234.10614	1.1
235.07611	3.0
235.09940	0.5
236.08443	0.3
236.10692	6.9
237.07701	0.3
237.09131	0.3
237.11360	1.2
238.08632	2.0
238.12265	6.9
238.17969	1.8
239.07001	0.1
239.09462	0.4
239.10941	0.1
239.12946	0.1
240.10048	0.5
242.11844	0.1
243.12576	0.2
247.07568	0.3
247.09883	0.1
248.07028	0.3
248.10687	0.6
249.07729	0.2
249.08926	0.2
249.11404	0.7
250.09845	5.0
250.12294	7.2
251.09819	0.5
251.13052	9.4
252.10194	5.1
252.12776	0.1
252.13986	0.1
253.10921	3.6
254.11682	0.3
262.08691	0.4
263.09460	0.1
264.10193	4.9
264.16006	0.2
265.12344	2.6
265.14468	0.1
266.11761	26.1
267.10110	0.5
267.12546	6.4
268.12885	0.1
280.13309	2.3
281.14227	0.2
282.11496	7.8
282.14862	100.0
283.15213	0.9
302.19855	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	282.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01918	0.7
55.05533	0.2
57.03440	1.3
59.05032	0.2
61.02932	1.0
62.86036	0.2
65.03976	0.3
67.05547	0.6
69.03456	0.2
69.06725	0.4
69.07070	8.7
71.05029	0.5
71.56679	0.2
71.57125	0.3
72.39901	0.2
77.03997	0.2
78.77174	0.2
79.05499	4.5
80.28298	0.2
81.07101	0.5
85.41871	0.2
88.04034	0.2
91.05486	6.3
95.04993	0.3
97.06535	17.7
107.05021	0.7
111.08121	0.5
117.80778	0.2
118.06580	1.5
119.04963	3.2
121.06490	1.7
123.04459	0.3
128.04973	2.6
129.09122	3.6
129.09987	0.3
133.06558	0.7
134.04541	0.8
134.06059	0.3
135.04427	3.9
137.05984	25.9
146.06071	0.6
147.04399	2.2
148.05203	1.3
149.06047	0.7
152.06293	0.3
153.07034	0.6
156.04440	5.5
158.07381	0.2
159.04459	0.3
160.07635	0.6
161.06087	0.2
163.07581	0.3
164.07150	0.9
165.05603	0.3
165.07001	4.4
165.08270	0.3
167.08632	0.3
172.03944	0.5
174.05580	0.8
177.07014	0.4
177.07486	0.4
177.09096	2.9
177.10440	0.3
178.07811	3.6
178.09364	0.2
179.08562	13.3
180.08057	0.5
181.06477	1.2
181.08878	0.3
186.05507	5.0
187.06264	0.3
189.07054	12.0
189.09140	4.5
189.10730	0.4
190.05083	0.4
190.07649	0.2
191.07256	3.3
193.06476	2.5
195.08130	0.8
196.11383	0.3
198.05466	0.4
204.08105	1.9
205.06564	0.7
205.08922	2.8
206.09682	22.6
206.11745	2.9
207.08078	12.2
207.09909	0.5
208.07654	0.6
208.11185	0.3
209.05968	2.3
210.09311	0.4
211.06320	1.0
212.07076	1.2
215.10704	1.3
216.08167	1.4
217.06523	11.6
217.08846	1.2
218.07083	0.3
219.06732	0.6
220.07562	0.4
221.08398	0.3
222.06825	1.2
223.07553	1.5
224.07047	2.7
224.10724	0.7
225.07616	1.0
226.05080	0.3
226.08635	0.4
227.05823	0.5
232.07527	0.5
232.13351	0.2
233.08386	2.1
233.11736	18.7
234.09143	23.3
235.07619	7.5
235.09560	0.3
236.07516	0.2
236.10660	0.5
237.09190	2.9
238.08601	2.5
239.07001	0.7
239.09474	0.9
240.06612	0.6
247.07558	3.2
247.13245	2.0
248.07089	6.4
249.07837	4.3
250.08665	0.5
250.14456	1.1
252.06604	0.2
252.07465	0.2
252.10213	2.6
253.07330	0.6
254.08391	0.3
254.11794	1.3
262.08655	5.0
263.09354	0.7
264.10211	37.3
264.15945	12.5
265.08417	0.5
265.14355	12.1
266.07922	0.2
267.10077	0.7
280.09805	0.3
282.11249	100.0
283.11765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.05505	0.8
56.05028	0.4
56.96566	0.6
57.03434	0.8
58.06608	1.7
59.05007	3.2
60.05346	0.6
61.02925	1.9
67.05500	0.5
69.03423	0.4
69.07067	0.7
70.06596	0.7
71.05000	3.6
71.09618	0.6
72.08157	0.5
74.02448	2.0
74.06068	0.2
79.05491	1.0
81.03416	0.5
81.07059	5.4
83.04971	0.3
84.04505	1.3
84.08121	0.9
85.02910	0.8
86.06073	0.4
86.09705	0.7
87.04457	0.4
87.08129	0.3
88.03999	3.7
89.06033	0.6
91.05481	2.0
93.07056	0.5
94.06599	0.3
95.04979	0.3
97.02908	0.5
97.06538	1.0
97.10144	0.3
98.97587	1.3
99.08089	0.4
103.03957	0.3
105.07026	0.8
108.08125	0.7
109.02900	0.3
109.05121	0.8
110.03528	2.9
113.09628	0.9
116.03447	1.0
116.98643	0.7
117.05520	1.0
118.05817	0.6
119.04948	0.8
120.04462	0.3
120.08125	0.6
121.06513	15.0
122.09644	0.4
123.04400	0.5
124.03961	0.7
127.03944	0.4
128.04565	1.2
130.05063	0.4
130.06552	0.7
131.08562	0.4
133.08638	0.3
134.04503	6.9
134.09624	0.5
135.03020	6.9
137.05977	2.2
141.06938	0.3
147.04405	0.8
148.07559	0.4
149.06007	0.5
150.12816	0.9
151.07515	1.0
152.05682	100.0
152.14314	0.4
153.04089	8.5
153.07028	0.3
158.01105	0.3
161.05968	0.3
164.07065	0.4
166.07254	2.0
167.07082	0.3
175.03853	0.3
176.07095	0.8
176.57465	0.4
177.09198	0.4
179.08546	0.7
181.06436	0.7
189.06975	0.3
189.09111	0.6
191.09442	3.4
191.59496	0.5
195.08095	0.6
197.09589	0.4
198.09131	0.3
204.08199	0.3
204.10248	0.3
206.11836	0.4
207.06355	0.3
207.08092	1.6
209.08350	0.3
210.06860	0.4
210.09140	0.6
211.07513	0.5
213.07860	0.3
213.10812	0.3
215.10669	1.3
222.09131	1.0
222.11066	0.7
223.07558	0.8
223.12329	0.5
224.08478	0.4
224.10690	0.8
225.05473	0.5
226.08658	1.4
232.13385	0.6
233.11784	1.1
235.07527	1.8
236.10699	1.6
238.08612	0.9
238.12210	1.3
239.07050	0.6
239.09245	0.3
239.10779	0.4
240.10080	0.6
241.07265	0.5
250.08292	0.9
250.12392	2.5
251.10622	0.4
251.13042	2.4
252.10191	1.4
254.08160	2.3
254.11711	0.7
264.10477	2.1
264.15900	0.6
265.08615	0.4
265.64081	0.3
266.11777	5.1
267.10403	1.5
267.12494	1.3
273.62589	0.7
274.09998	0.6
280.13312	0.7
282.07727	2.9
282.11420	15.8
282.15347	42.3
282.22211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1489
Annotation	Bharatamine
Peak:m/z	Relative Intensity
50.72895	0.1
62.89312	0.1
70.87209	0.3
70.87556	0.2
87.04529	0.2
91.05465	1.0
94.90984	0.2
97.06609	0.3
104.41928	0.1
107.05001	0.2
115.79556	0.2
121.06590	0.3
135.04440	0.4
137.06053	0.6
146.06142	0.2
147.06833	0.2
150.06818	0.4
152.14433	0.3
154.92526	0.2
156.04465	0.2
165.07065	0.5
165.09225	0.5
167.07378	0.2
175.06372	0.2
176.07185	0.3
178.07851	0.6
179.08580	2.1
181.06534	0.3
186.05531	0.4
189.06963	1.1
190.07851	0.5
191.08633	0.7
192.09456	0.2
193.06538	0.2
194.09576	0.2
195.08206	0.2
202.07726	0.2
203.08673	0.7
204.08131	0.4
204.52873	0.2
205.08751	0.4
206.09662	2.0
207.08102	1.7
207.10117	0.3
208.11192	1.1
209.08363	1.5
209.11823	0.3
210.09126	1.8
216.08025	0.2
216.10150	0.2
217.06598	1.1
217.08463	0.2
218.07289	0.8
218.09462	0.3
219.08087	1.3
219.10425	0.4
220.09109	0.3
220.11195	1.2
221.06358	0.2
221.09653	0.7
221.12041	1.6
222.07109	0.2
222.09200	0.5
223.07820	0.3
223.09958	1.1
224.07124	0.5
224.10629	1.5
226.08722	0.3
228.10194	0.3
233.09700	0.3
233.11761	0.4
234.09094	1.7
234.10638	1.1
235.07599	3.1
235.09799	0.4
236.08455	0.3
236.10712	7.6
237.07565	0.3
237.09380	0.3
237.11414	1.3
238.08629	1.9
238.12273	8.5
238.17975	1.5
239.09248	0.2
240.10333	0.6
243.12753	0.3
247.07549	0.2
248.07065	0.6
248.10716	0.9
249.09280	0.3
249.11481	0.8
250.09871	4.9
250.12317	8.1
251.09602	0.6
251.13072	9.6
252.10202	5.2
253.10939	3.7
254.11714	0.4
262.08569	0.3
264.10229	4.6
264.16177	0.2
265.12381	2.4
266.11780	28.2
267.10220	0.4
267.12558	6.7
280.13330	2.4
282.11511	7.0
282.14880	100.0
283.12079	0.2
283.15143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01871	1.1
55.05518	0.9
56.03723	0.6
56.05045	1.0
56.96565	1.9
57.03439	1.0
58.06602	4.8
59.04977	0.7
60.04255	1.0
60.04531	12.0
60.78831	0.6
61.01163	0.7
61.02911	0.8
65.03938	0.6
67.05492	1.1
68.05031	0.7
69.03441	1.5
69.07072	1.0
70.02943	3.9
70.06591	3.8
71.01365	0.9
71.04977	2.8
71.56607	1.0
72.08150	1.3
77.11581	0.6
79.05492	2.2
81.03412	1.7
81.07042	1.5
82.06593	1.3
83.04986	0.7
84.04514	2.4
84.08156	5.5
85.02911	7.2
86.09706	1.5
88.03995	58.7
91.05475	4.9
91.97025	0.7
93.07058	1.3
94.06568	0.8
95.04964	1.4
95.08617	1.0
97.02879	0.9
97.06506	1.2
98.97585	2.2
102.05546	100.0
103.05436	1.1
105.07014	1.4
106.06560	0.7
107.04960	98.6
107.08588	1.9
109.02863	0.8
109.10179	2.0
110.06023	0.6
110.97612	0.7
112.08857	0.8
113.02332	0.7
113.09664	0.7
114.05529	1.4
117.07034	1.7
119.04949	1.5
119.08588	1.3
120.04482	6.3
120.08096	1.5
121.06534	1.7
121.10124	0.7
123.04420	5.6
124.07610	0.7
127.03912	1.0
128.06223	0.8
129.07016	0.9
129.10242	1.2
130.05019	2.5
130.08669	0.8
131.04970	1.5
131.08589	1.4
132.08142	1.5
133.06480	0.6
133.10141	1.5
134.06052	1.3
134.09676	1.8
135.08109	1.2
136.11226	2.1
137.05977	5.1
137.09650	0.7
138.05457	0.8
142.04971	1.7
143.08554	1.9
145.02840	0.8
145.06485	0.9
145.10181	0.9
147.04398	0.7
148.06052	72.0
149.05991	2.4
150.07802	1.0
151.07623	1.2
152.07127	1.2
159.08109	1.2
159.11761	1.3
159.68050	0.6
160.11177	0.6
161.06010	1.5
161.09636	1.7
162.05539	0.8
162.12801	0.7
163.11166	0.7
164.07077	1.2
165.12799	0.7
166.08635	2.4
169.10146	1.4
171.08066	1.1
173.06042	0.8
175.07524	0.7
175.11154	0.8
176.07072	0.8
176.14374	0.7
177.05489	2.1
177.07803	1.0
177.09126	0.7
181.06436	0.9
186.12700	0.7
187.07588	1.0
187.11171	2.5
189.09142	5.0
190.08643	0.8
193.03265	1.5
193.12263	1.0
197.09612	0.9
202.05069	0.9
204.13870	3.4
205.12254	4.1
206.09856	1.3
206.11870	3.2
213.10764	0.8
215.10683	2.0
218.15434	1.5
219.01759	0.7
219.13779	1.0
221.24844	0.6
222.07608	2.6
222.09416	1.1
222.14931	1.9
225.56108	0.7
226.08833	1.1
232.13379	7.0
233.11778	1.7
234.09160	0.8
236.09172	7.1
236.16476	2.4
237.02550	0.9
238.42467	0.6
239.09410	0.6
240.10109	0.7
246.11429	0.9
246.14977	0.9
247.13428	0.7
249.08064	0.8
250.07156	1.9
250.14285	7.2
251.10730	0.6
254.08209	1.4
264.10431	7.8
264.15970	17.9
265.10471	1.1
266.11749	0.7
267.10059	0.6
282.11465	4.0
282.14481	5.0
282.17035	86.2
300.06287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1283
Annotation	Cyclopeptine
Peak:m/z	Relative Intensity
55.05511	0.3
56.96565	0.2
58.06574	0.6
58.71354	0.2
61.65507	0.2
62.08273	0.2
62.25568	0.2
67.05493	0.2
69.41134	1.4
70.06587	0.3
72.08137	0.4
79.05451	0.2
81.07059	0.2
84.04476	0.7
84.08125	0.7
86.09665	0.6
87.33296	0.2
91.05476	3.2
92.39164	0.2
95.04945	0.3
97.06509	0.2
98.21571	0.3
104.04989	0.2
105.07051	0.3
106.06533	0.3
107.08536	0.2
119.04920	0.2
120.08131	0.2
129.10274	0.2
130.06490	0.5
132.08087	0.4
137.05952	0.3
141.07008	0.3
144.08051	0.2
147.04407	0.5
147.05486	0.3
147.09149	0.2
148.04778	0.4
149.02293	0.2
150.02684	0.2
151.02873	0.2
152.06204	0.6
153.07004	0.3
154.06487	0.5
156.08054	0.2
164.07001	0.2
165.06999	3.5
166.06439	0.2
167.07262	0.5
167.08582	0.8
168.08073	0.7
176.06190	0.3
177.06998	0.7
178.06438	0.3
179.07263	0.4
180.08104	1.6
181.07542	0.5
181.08914	1.3
183.05536	0.2
183.09251	0.2
188.07100	0.2
189.06671	0.2
191.07306	0.9
192.08124	4.8
193.07309	1.6
193.09119	2.0
194.09691	6.5
195.09161	0.7
196.07570	0.7
199.08601	0.2
203.07220	0.6
204.06157	0.2
204.08089	6.0
205.07510	2.7
206.08376	9.9
207.09178	13.1
208.09898	0.6
209.07133	0.6
209.10806	0.3
210.09172	6.5
211.08591	1.0
218.08148	0.2
219.09164	4.3
220.09915	3.9
221.10739	43.4
222.09114	1.2
222.11491	1.9
223.08727	2.1
223.12184	0.9
231.09241	0.4
233.57120	0.2
235.12444	0.2
237.10249	0.8
238.08575	1.0
239.08299	1.4
239.11803	13.2
241.09810	1.3
249.10228	2.8
249.13860	0.8
250.14543	0.3
251.08426	0.3
252.08888	0.6
253.09834	1.0
263.08829	0.3
263.14575	0.6
264.10132	1.1
265.09836	0.8
266.10580	0.7
267.11398	0.3
272.61691	0.2
279.11310	5.8
281.12857	100.0
282.13077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02375	1.4
52.57236	1.2
53.03953	8.2
55.01864	5.5
55.05266	1.8
55.05513	31.4
56.96562	1.3
57.03445	34.6
57.07060	2.8
61.54995	1.2
65.03929	4.4
67.05511	89.1
69.03430	2.6
69.07071	17.6
71.04984	4.7
73.06557	2.4
79.05499	100.0
81.03429	11.2
81.07063	62.7
83.04989	35.1
83.08627	11.5
85.06539	4.2
88.25137	1.3
91.05486	72.5
93.07050	84.0
95.04977	25.4
95.08614	41.4
97.02902	1.9
97.06557	6.4
97.10165	6.5
98.97585	4.9
104.28773	1.2
105.04521	2.4
105.07038	50.9
107.04967	5.9
107.08600	20.2
109.06528	10.4
109.10172	7.1
111.08078	2.2
117.07022	8.6
119.08589	34.7
121.06483	4.1
121.10146	6.0
123.04430	1.4
123.08096	10.7
123.11742	1.7
127.07529	2.5
128.06273	2.7
129.07016	19.4
131.08571	3.2
133.06465	1.7
133.10147	14.9
135.08124	1.6
135.11696	3.8
137.05992	1.6
137.09599	1.7
141.09100	2.6
143.08578	12.8
145.10136	15.1
147.04430	9.5
147.08055	5.9
147.10503	2.6
147.11696	55.1
149.02357	2.4
150.02718	2.3
158.99603	1.3
161.09615	6.6
161.13271	18.5
163.11153	2.4
171.11696	40.8
179.14313	3.0
189.12755	14.1
198.55841	1.4
207.13768	18.0
219.01685	1.5
261.11707	1.7
263.16434	2.0
281.17496	69.5
281.62979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03938	0.7
58.73575	0.2
65.51164	0.2
67.25033	0.2
69.31320	1.7
77.03924	0.5
79.05493	6.8
79.05956	0.3
95.04967	0.9
98.13617	0.2
103.05470	4.6
105.07030	93.2
116.24427	0.2
118.06521	0.9
127.97426	0.2
132.08063	0.3
134.09554	0.3
146.09592	0.2
149.02341	0.9
150.02678	0.5
176.14355	5.4
189.15096	0.2
219.75801	0.2
236.14366	0.2
267.52689	0.2
280.20596	100.0
281.17661	0.2
281.20950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1135
Annotation	H-PHE-ASP-OH
Peak:m/z	Relative Intensity
53.03940	0.8
55.05502	0.7
56.05043	2.2
56.96578	0.6
58.06594	0.5
67.05507	0.6
69.03442	0.4
70.02959	2.7
70.60658	1.5
72.08157	1.0
74.02441	1.4
77.53277	0.5
79.05501	2.9
81.07066	0.7
84.04507	70.4
84.08142	1.3
85.02905	2.0
86.09715	0.7
88.07658	0.6
89.03916	1.5
91.05475	2.2
92.05829	0.7
92.58200	0.4
95.04990	1.1
97.02931	0.7
97.41360	0.4
98.97565	1.1
102.05540	1.4
103.05460	1.0
106.06561	2.2
106.07292	0.5
107.04961	18.7
109.02882	1.9
117.03391	1.7
119.04971	1.5
119.07321	1.2
120.05260	1.4
120.08115	8.3
121.06535	0.7
123.04420	2.7
123.07985	0.9
125.04301	0.7
127.03890	0.6
130.05014	30.7
130.06546	1.0
131.05167	0.4
131.73386	0.4
132.04504	0.6
132.08084	3.6
133.02803	0.6
133.10101	0.6
134.06030	3.4
134.09615	0.6
135.04424	42.0
136.06194	0.7
137.05986	0.6
142.04996	2.3
146.09596	0.8
147.04442	1.2
150.02666	0.5
151.02899	0.6
151.07533	2.6
152.07059	100.0
162.09169	0.9
165.09158	0.8
166.08626	2.2
174.05466	0.7
174.58684	0.5
191.07050	1.1
192.06683	0.5
193.04936	0.9
196.11330	0.6
200.07069	1.7
201.05539	0.5
202.08003	0.6
206.09674	1.3
207.10248	0.6
212.10620	0.8
218.08142	4.0
218.11430	0.5
218.55891	0.5
221.10674	1.0
223.12270	0.8
235.10756	4.1
238.12172	0.9
247.12328	0.7
249.13895	12.5
250.14653	3.6
251.11638	0.6
263.10196	1.3
263.14474	1.7
264.08685	17.6
281.11523	11.3
281.16541	11.8
299.06235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1546
Annotation	Caulophyllumine A
Peak:m/z	Relative Intensity
54.71073	0.4
55.01868	0.9
56.96555	0.6
57.03431	0.5
57.07071	0.7
61.02641	0.6
61.02929	8.6
67.05504	0.7
69.03395	0.5
69.10566	0.4
69.61697	2.6
70.06593	0.7
79.05482	0.6
81.07057	0.6
84.04483	1.1
84.08154	5.1
87.04459	1.4
91.05481	3.2
93.07069	0.5
96.04491	0.5
98.20747	0.8
98.97562	0.7
103.05470	0.7
105.07024	3.8
107.04929	0.8
107.08569	0.7
108.13907	0.4
112.90855	0.3
115.05431	0.8
116.09094	0.4
117.07040	0.9
119.04932	0.9
119.08594	3.1
120.08093	0.9
123.04414	0.5
124.03980	0.5
128.06212	0.7
129.06148	0.6
129.07019	6.8
131.04909	1.2
131.08571	3.3
132.05722	0.5
133.06485	0.9
133.10097	0.5
135.04440	0.8
136.07568	3.1
137.06010	0.6
141.06970	0.5
141.37404	0.4
142.07793	2.0
143.08566	0.7
144.05690	0.7
144.64494	0.4
145.06476	0.8
145.08994	0.5
145.10144	1.4
147.04408	1.5
147.08063	8.0
148.05188	0.4
149.02344	1.8
149.05980	1.6
149.09615	2.0
150.02734	2.6
150.05473	0.7
151.03952	0.4
151.07527	0.5
152.07086	0.6
155.08549	0.7
157.06520	4.0
157.10141	2.2
159.08054	3.2
160.05223	3.1
161.05995	3.7
161.09604	0.4
162.05533	0.5
163.07596	0.5
164.07117	0.6
165.09242	0.6
167.08575	0.6
170.07346	0.7
171.08078	0.4
173.09633	1.4
174.06821	1.0
174.12753	2.6
175.07570	13.9
176.04697	0.6
177.09105	5.9
177.29916	0.4
185.06117	0.7
185.09669	2.1
187.07587	1.2
187.11183	0.7
188.08327	0.5
189.05513	0.5
189.09135	2.4
191.10684	1.7
193.04410	0.8
195.08066	0.9
201.09131	1.6
202.06274	0.5
202.12314	2.9
203.07036	3.2
203.10672	3.2
204.10092	0.6
205.08662	1.6
212.10652	0.7
213.09161	1.1
216.07930	0.5
216.13904	0.5
219.10225	1.9
225.91489	0.4
230.11748	3.1
231.10223	1.3
233.11700	0.7
244.13281	1.3
245.11838	0.5
248.12880	3.1
262.14404	7.9
263.12875	1.2
280.15451	100.0
281.15912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1545
Annotation	Metalaxyl-M
Peak:m/z	Relative Intensity
52.92001	0.4
55.01866	0.6
55.05507	1.0
56.96557	0.9
57.03434	1.2
57.07068	0.7
58.81236	0.4
61.02926	7.0
67.05496	1.2
69.03417	1.2
70.06590	0.5
70.36029	1.1
71.05000	0.6
72.08165	0.6
73.02911	0.4
73.06556	0.8
73.70848	0.4
80.04986	0.5
81.07053	1.0
82.07423	0.4
84.04461	0.5
84.08150	4.2
85.02900	2.1
87.04464	1.0
88.11275	1.0
91.05487	2.3
91.06580	0.4
93.07067	0.6
95.08585	0.8
96.08942	0.7
97.02880	1.4
98.20770	0.5
98.97590	1.2
101.73024	0.4
102.91386	0.4
105.07041	2.7
106.06545	0.4
106.82048	0.4
107.04931	0.5
107.08578	0.6
109.02935	0.5
110.97596	0.6
115.05463	0.4
117.07018	1.4
119.08585	3.5
120.08081	0.8
123.04465	0.4
128.06227	0.9
129.07004	5.6
131.04927	1.1
131.08589	2.6
131.73416	0.4
132.05748	0.4
133.06509	0.8
134.06038	0.6
136.07596	3.5
137.05968	0.7
138.03479	0.4
142.07751	1.2
145.06480	0.5
145.10130	0.9
147.04454	0.9
147.08049	7.0
148.07507	0.7
149.02391	3.5
149.05998	0.8
149.09604	1.5
150.02705	2.6
157.06493	2.8
157.10110	1.4
158.07249	0.8
159.08075	3.4
160.05215	2.6
161.05975	2.9
162.05531	0.8
163.03999	0.9
163.06316	0.7
164.06981	0.6
165.04822	0.6
165.09106	0.8
167.08597	0.5
168.19656	0.4
169.06616	0.4
170.07307	0.6
173.09624	1.3
174.12781	1.3
175.06035	0.7
175.07559	11.9
176.10699	0.5
177.09103	4.0
179.06979	0.6
183.06657	0.6
185.06006	0.5
185.09583	2.3
187.07535	0.8
187.11264	0.7
189.09109	1.3
190.04884	0.6
191.10707	2.2
192.10248	0.4
193.04300	3.0
195.08084	0.5
201.09190	0.7
202.06235	0.6
202.12250	1.7
203.07031	2.4
203.10724	2.2
204.10211	1.3
205.08672	1.0
212.10664	0.9
213.09132	0.8
216.07875	1.1
216.13875	0.6
217.08566	0.5
219.10123	1.4
230.09749	0.6
230.11745	2.2
231.10179	0.6
234.11366	0.4
234.14890	0.5
235.06180	0.5
237.11020	0.6
244.13402	1.5
245.11713	1.8
248.12871	7.7
252.08618	0.6
262.14404	8.6
280.08368	5.0
280.15448	100.0
281.15836	0.5
288.41330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03942	1.1
55.01860	0.8
55.05517	6.1
57.07079	4.5
65.03928	3.4
67.05505	100.0
69.07069	8.7
69.81544	3.5
71.04987	1.1
79.05494	12.8
81.07058	97.7
83.04987	1.0
83.08640	5.1
85.06530	1.6
91.05477	4.2
93.04487	0.6
93.07050	10.8
95.08607	86.3
96.10940	0.5
97.06519	1.2
97.10176	1.9
98.20819	0.9
105.07038	3.2
107.08616	6.8
109.06501	1.1
109.10162	25.7
111.08085	1.1
111.11729	1.3
117.06999	1.5
119.08582	2.7
121.10146	6.0
123.08101	1.1
123.11708	13.9
131.08578	4.4
133.10130	3.2
135.11700	5.5
135.16772	0.8
137.09679	1.1
137.12296	0.5
137.13260	14.7
145.10086	3.2
147.11678	2.8
149.02347	17.0
149.09631	2.0
149.13290	4.3
151.14803	3.5
153.12758	0.8
159.11673	3.9
161.13277	2.9
163.11165	2.2
163.14827	1.8
165.12798	1.0
165.16382	0.7
167.10619	1.0
173.13258	6.0
177.12794	2.3
177.16338	1.0
181.10464	0.6
181.12225	1.9
187.14816	3.5
191.14311	2.6
195.13824	3.4
205.15846	0.8
209.15352	5.0
223.16963	4.0
224.85812	0.7
236.97604	0.6
243.21126	2.3
261.22168	3.4
279.23193	29.5
304.56238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	3.1
56.96577	0.5
57.07074	1.1
65.03951	1.3
67.05495	0.7
67.16537	0.4
68.05836	0.4
69.07079	0.7
69.34289	3.5
70.02958	1.5
73.02923	0.7
79.05521	0.5
80.05045	0.5
81.07078	1.3
82.77613	0.4
84.04505	86.2
85.02909	1.6
91.05482	57.0
93.07044	0.7
95.08617	0.8
98.97608	1.2
102.05545	24.1
103.05497	0.4
107.08554	0.4
116.07091	7.5
116.98662	0.6
117.07005	0.4
120.08117	2.4
121.06501	1.8
122.06081	0.7
123.06821	0.7
137.05998	1.2
137.08409	0.4
144.06560	100.0
145.04945	0.5
149.02330	4.7
149.05939	0.4
150.02675	4.3
150.05516	1.5
151.06297	4.3
151.07439	0.7
158.99628	0.5
162.06258	0.9
162.07623	19.1
166.08604	1.4
175.27008	0.5
176.07124	1.1
204.35460	0.4
216.17435	0.6
220.09743	6.5
220.13269	0.6
230.11905	0.6
234.14857	1.0
239.44720	0.4
248.09218	3.0
248.12807	2.6
262.10910	0.5
262.14355	1.1
264.10199	0.8
280.09412	1.0
280.12622	1.0
280.15668	7.7
280.18958	1.1
280.22729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03943	4.5
55.01863	3.3
55.05269	1.8
55.05515	19.8
56.96565	3.0
57.07079	36.7
62.33154	1.3
64.68378	1.3
67.05175	2.1
67.05511	29.7
69.06738	1.3
69.07080	16.1
70.67793	2.9
70.68115	1.4
71.04983	4.6
71.08611	2.0
79.05499	67.2
81.07067	32.8
83.04998	2.4
83.08624	7.9
85.06536	3.3
91.05487	28.8
93.07054	89.7
95.04958	6.1
95.08052	1.9
95.08616	29.3
97.06541	4.2
97.10141	4.7
97.37125	1.3
98.97573	5.1
105.04562	2.4
105.07038	15.2
107.08601	50.5
108.08942	1.4
109.06525	3.5
109.10154	11.2
111.08038	2.4
117.06986	3.7
119.08597	14.7
119.09385	2.2
120.87822	1.2
121.10155	40.0
123.04443	2.5
123.11677	2.6
125.09639	1.6
129.07027	2.2
131.08562	4.6
133.10127	12.1
135.11705	47.2
137.09627	2.1
143.08563	3.5
145.10146	3.9
147.11699	6.9
149.13277	18.6
157.10184	1.4
159.11714	5.3
161.13326	3.2
163.11259	2.7
163.14857	5.5
171.11707	4.2
173.13269	3.4
175.11221	2.6
175.14937	1.5
177.12785	2.0
179.10687	21.5
181.12198	1.5
185.13301	2.2
188.02321	1.7
195.13835	2.0
199.14870	1.8
207.13837	1.8
219.13812	4.1
221.15359	3.1
235.16946	84.3
241.19460	3.0
245.03999	3.0
254.04478	3.1
254.13348	1.6
259.20541	1.6
277.17975	100.0
277.21570	90.9
277.28082	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	279.048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	3.8
59.23153	3.1
69.36765	2.9
70.49938	9.2
70.50280	2.7
80.91771	2.9
84.08167	4.6
98.97591	20.2
108.66856	3.2
116.98633	4.2
125.68355	3.1
130.17676	2.6
136.94017	3.0
158.99734	8.4
219.01869	5.7
237.02924	4.7
247.75601	3.2
255.03835	9.0
279.04785	100.0
297.05011	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	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
53.47636	0.4
55.01873	1.0
56.96568	0.6
57.05803	0.5
57.07077	7.1
58.06598	0.6
62.46682	0.4
65.03940	0.8
65.40626	0.5
66.21948	0.5
67.05508	1.7
69.06721	0.8
69.07073	11.9
69.67451	2.0
69.88038	0.4
70.06580	0.6
72.03683	0.4
79.05492	1.0
81.07066	1.3
84.04517	1.3
84.08141	0.5
86.09708	100.0
91.05487	1.9
91.88580	0.4
93.88441	0.4
95.08605	0.6
98.97579	1.6
109.10166	0.5
116.98648	0.8
120.08102	7.8
121.02873	1.8
130.04993	0.9
131.65208	0.5
137.05997	0.8
149.02351	41.8
158.99719	0.8
164.07079	1.7
166.08635	5.4
167.03470	0.5
177.05487	0.8
205.08575	0.5
228.65057	0.4
233.16637	0.5
279.10257	1.0
279.17023	4.1
279.23111	0.8
280.13165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03954	5.9
55.05267	1.1
55.05517	17.6
57.07063	2.7
59.11117	0.9
65.03944	1.0
67.05509	32.5
69.07069	15.7
70.85530	3.1
71.04993	2.5
77.03931	2.0
79.05499	73.2
81.07060	31.4
83.04995	2.2
83.08620	7.3
85.06541	1.8
91.05486	26.4
93.07048	100.0
95.04960	5.5
95.08613	22.8
95.20965	1.0
97.06527	3.1
97.10166	3.4
105.04542	1.7
105.07030	11.0
107.07865	2.4
107.08601	49.3
109.06503	1.8
109.10162	12.0
111.08092	1.6
111.42319	1.1
117.07012	3.7
119.08561	8.7
121.10150	46.9
123.08049	1.5
123.11740	3.1
131.08582	3.5
133.10133	12.3
134.73985	1.0
135.11699	49.4
143.08556	2.6
145.10176	2.1
147.11713	6.0
149.09644	1.9
149.13272	23.6
157.10208	2.7
159.11703	4.0
159.37306	1.1
161.13251	4.2
163.14812	5.2
171.11757	2.8
173.13304	2.2
175.11148	1.5
181.73247	1.0
185.13289	1.8
189.12769	1.3
189.16338	1.1
193.12259	1.4
195.13821	1.2
199.14848	1.7
203.14345	1.0
207.13806	2.1
213.16437	2.2
221.15335	3.7
231.17538	1.2
235.16916	3.8
241.19530	2.9
259.20609	4.3
277.21643	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	277.2165
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.14466	0.7
53.03949	3.6
54.53192	0.8
55.01881	5.2
55.05262	1.6
55.05516	18.9
56.96574	1.9
57.03439	1.1
57.07077	3.5
58.10866	0.6
65.03943	1.5
67.05511	38.0
69.07071	16.9
69.51511	5.3
71.04989	2.2
71.08633	3.3
77.03918	1.3
79.05500	69.2
81.03405	1.6
81.07063	41.0
83.04984	2.8
83.08622	10.5
85.06552	1.8
91.04900	1.1
91.05486	29.8
93.07052	100.0
95.04976	6.8
95.08614	28.6
97.02908	1.0
97.06541	3.3
97.10170	4.8
98.97566	1.8
99.08108	2.9
101.06042	0.9
105.04516	2.6
105.07033	17.7
107.04952	1.4
107.08601	51.0
109.06544	3.4
109.10164	15.6
111.08097	5.0
111.11751	0.9
117.07037	4.8
118.51039	0.6
119.08582	12.8
121.06493	1.7
121.10153	41.3
123.08060	1.9
123.11728	3.9
125.09655	1.6
126.87350	0.7
129.07028	2.4
131.08580	6.5
133.10144	14.3
135.08131	1.9
135.11700	47.4
137.09601	1.8
137.13300	1.2
139.11188	1.4
143.08586	2.7
145.10139	3.9
145.69827	0.8
147.04344	0.8
147.08061	0.8
147.11703	9.1
149.09616	1.3
149.13271	23.9
151.11191	3.2
157.10139	2.7
159.11682	3.1
161.13286	7.1
163.11157	1.9
163.14839	6.0
165.12810	1.2
167.10681	1.9
171.11732	3.3
173.13295	2.8
175.11214	1.7
175.14822	2.9
177.12793	1.7
179.10631	1.4
181.12265	2.1
185.13295	3.4
187.14838	1.2
189.12721	1.5
193.08618	1.0
193.12265	1.7
195.13881	2.1
196.42068	0.8
199.14925	0.9
203.14320	1.4
207.13838	2.7
209.55771	0.9
213.16330	1.2
217.15923	0.7
217.19531	1.0
221.13379	1.0
221.15385	4.0
231.17415	1.3
231.21147	1.9
235.17012	4.7
241.19415	3.5
245.03857	1.0
254.04388	0.9
256.54608	1.1
259.20609	7.8
261.38257	0.8
277.21637	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	277.166
Annotation	p-Coumaroylagmatine
Peak:m/z	Relative Intensity
55.01871	1.0
55.05492	0.5
56.96560	0.9
57.03430	0.3
57.07055	0.4
60.04518	0.3
60.05653	2.8
60.32279	0.3
65.03966	0.6
67.05518	0.6
69.03456	0.5
69.07073	0.4
70.06590	0.8
72.08157	10.3
73.96696	0.3
79.05488	1.0
80.43138	0.2
81.07067	0.8
83.01300	0.2
84.04511	1.7
84.08157	0.5
85.02902	1.0
89.10811	0.8
91.05475	4.7
93.07043	0.9
95.08565	0.3
97.07664	2.0
98.06044	0.7
98.97569	0.6
102.05471	0.3
107.08577	0.4
114.10291	19.0
115.03913	0.3
115.08704	2.3
115.69536	0.3
119.04943	17.2
120.08089	0.4
121.06541	0.5
121.10233	0.4
122.95660	0.3
127.03905	0.4
130.05000	0.6
130.06540	1.2
131.12923	4.1
135.11723	0.6
137.05981	0.6
141.18977	0.3
141.22197	0.3
142.03218	1.1
146.06023	0.7
147.04411	100.0
156.06833	0.4
157.06493	0.3
157.07625	1.2
157.10889	0.6
158.06030	0.3
158.09679	0.5
174.09148	0.3
175.12381	2.0
176.07069	0.5
187.12312	0.5
202.08664	0.5
203.11845	0.7
217.07503	0.3
217.13403	3.4
218.08276	0.4
218.11768	4.6
221.10670	0.6
229.08626	0.4
231.11288	11.3
232.09727	0.8
232.13364	0.4
235.14314	0.8
235.16716	0.3
236.63049	0.5
259.11469	2.1
260.13968	7.6
263.11963	0.4
268.12891	0.3
277.12115	8.4
277.16580	62.4
281.12720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
52.27753	0.8
52.40752	0.8
53.03951	4.9
55.01847	1.5
55.05510	14.6
57.07065	3.3
65.03927	1.2
67.05508	36.6
69.07076	14.5
70.85866	1.7
70.86178	1.0
73.06561	1.0
77.03925	1.6
79.05497	72.9
81.06581	1.9
81.07060	36.6
83.04956	1.8
83.08614	8.6
85.06543	1.8
91.05482	27.7
93.07047	100.0
95.05000	4.9
95.08052	1.5
95.08616	22.3
97.06526	1.7
97.10184	4.9
105.04501	2.0
105.07034	12.0
107.08598	49.0
107.56322	0.9
109.10167	16.3
112.65506	1.0
117.07016	2.5
119.08586	9.1
121.10146	42.5
123.08087	1.2
123.11695	3.4
129.07024	1.4
131.08577	4.5
133.10144	13.1
135.11699	60.3
136.02121	0.9
143.08557	1.4
145.10123	3.7
147.11708	7.7
149.13266	22.1
157.10199	1.5
159.11717	2.0
161.13257	3.8
163.11221	1.0
163.14799	7.2
171.11694	2.2
173.13353	1.1
175.11165	1.2
175.14853	1.7
177.12666	1.1
181.12296	1.4
185.13173	1.5
187.66849	1.0
195.13747	2.3
199.14818	1.8
207.13760	1.6
213.16313	2.4
221.15361	3.4
231.17465	1.7
235.16917	3.8
241.19493	1.5
259.20593	4.2
277.21631	84.5
278.22174	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	selenoneine
Peak:m/z	Relative Intensity
53.17269	8.3
64.19051	9.3
71.10090	19.8
71.10432	9.6
88.95861	10.2
162.58569	8.0
192.53758	9.4
277.03229	100.0
277.06647	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04079	3.6
60.62661	3.8
71.54642	3.5
74.96987	4.2
105.76289	4.0
197.94865	4.1
268.58060	4.5
277.03262	100.0
277.06757	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	277.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43343	0.5
56.96566	1.2
67.65807	0.4
70.06592	0.7
70.43050	0.7
70.43384	0.8
72.08139	1.1
79.05494	0.8
84.04496	0.6
84.08143	0.8
91.05463	1.2
93.07062	0.5
98.97592	0.7
104.85862	0.5
108.08144	0.5
114.10280	0.7
119.04941	1.2
120.08091	1.1
129.07025	1.1
130.04970	0.6
130.06503	0.9
131.07355	0.7
132.08081	1.0
133.06470	0.5
133.08896	1.0
134.09698	0.9
136.07561	1.4
137.05991	0.6
143.07271	0.7
144.08078	1.4
146.09654	1.0
147.04436	3.8
147.09183	1.0
150.05559	0.6
158.09637	7.0
159.09180	2.8
159.10388	1.2
160.07640	1.1
162.09163	0.7
164.07056	0.7
170.09605	1.3
172.10010	0.5
174.09132	4.6
175.12314	21.5
176.07080	2.3
178.08675	0.7
185.10728	0.8
186.09099	1.2
187.09950	1.5
187.12347	3.5
188.07103	1.1
190.08626	0.7
202.08669	3.5
203.11806	7.2
204.06436	0.6
204.10205	1.0
205.09755	1.9
215.11798	1.0
230.08151	1.0
231.11301	100.0
232.09607	0.6
236.63043	0.7
241.09732	0.5
259.10843	11.5
264.10904	0.6
277.11990	58.0
277.16745	2.2
278.40814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1961
Annotation	Citronellyl anthranilate
Peak:m/z	Relative Intensity
53.03944	1.2
55.01873	1.8
55.05513	14.0
56.96556	2.0
57.07072	2.1
58.09559	1.1
58.96117	2.1
63.30711	1.0
67.05505	4.0
69.03441	0.9
69.07070	11.9
70.03769	2.1
70.04119	3.2
70.06583	1.0
72.27809	1.0
74.33713	0.9
79.05495	4.7
80.05051	1.3
80.05829	1.6
81.07056	6.1
82.07401	1.3
83.08588	1.2
84.04491	2.6
87.00716	2.5
88.07644	1.6
90.05590	0.9
91.02301	0.9
91.05472	4.3
93.07034	3.1
95.08604	1.6
97.10188	3.1
98.97585	4.1
99.04415	1.2
100.11243	2.5
103.05489	2.1
105.07005	5.3
106.07365	1.6
107.04961	1.2
107.08569	1.1
114.12753	1.1
115.03831	1.3
115.05463	3.2
117.07019	3.0
118.06546	2.6
119.04916	1.5
119.08554	2.4
120.08935	1.2
121.10187	1.4
123.04428	6.3
126.05516	1.8
127.05870	2.6
128.06216	4.1
129.07022	11.8
131.04945	9.7
131.08531	1.7
133.10214	1.2
136.06201	6.0
137.05988	6.4
143.04956	2.5
143.08543	3.4
144.06668	1.4
145.06551	4.6
146.05972	1.8
147.04417	8.3
148.05222	2.2
149.05992	31.2
151.07533	2.4
157.06511	7.8
157.10127	1.4
159.08253	1.8
160.05186	3.4
161.05998	27.8
162.06781	2.6
163.07582	3.8
164.07076	64.5
171.08052	7.1
175.07549	42.5
183.32658	1.2
185.09630	2.2
189.09123	8.7
189.27391	1.2
203.10658	1.9
216.12418	2.4
229.99513	1.5
248.14966	1.2
256.08118	1.2
258.18970	1.1
259.16940	28.3
276.12457	7.4
276.19632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03940	1.1
53.29400	0.4
55.05263	0.7
55.05514	8.7
56.96568	0.6
57.03429	1.9
57.07079	0.9
67.05175	0.6
67.05511	9.4
69.07075	5.9
71.04975	1.4
71.27964	1.1
79.05499	9.6
81.07061	11.0
83.04971	0.7
83.08616	4.9
85.06544	1.5
91.05486	26.6
93.06477	0.7
93.07050	10.1
95.04950	1.1
95.08054	0.6
95.08615	6.9
96.41367	0.5
97.06528	1.4
97.10186	1.1
98.97548	0.7
103.05446	0.9
105.07037	40.4
107.04972	1.1
107.08596	7.2
109.06501	1.0
109.10177	2.7
111.08107	0.9
115.05462	0.6
117.07021	6.5
119.08588	23.3
121.06506	0.7
121.10143	3.8
123.08037	0.7
123.11725	0.5
125.09637	0.7
129.07008	2.1
131.07608	0.5
131.08568	9.3
132.09370	0.6
133.10138	24.5
135.08064	1.2
135.11696	1.5
137.05945	1.5
137.09668	0.5
143.08548	2.2
145.10130	11.1
147.11699	23.2
149.09637	3.4
151.11179	0.6
155.08548	1.0
157.10135	2.6
159.11705	9.0
161.13263	5.8
163.11157	1.4
169.10219	0.8
171.11687	2.2
173.13309	2.6
175.11160	0.8
175.14821	1.3
183.11739	1.5
185.13264	4.6
197.13287	1.5
201.16385	0.8
203.14316	3.7
211.14816	0.7
219.17494	1.2
222.05447	1.1
229.15981	0.6
229.19606	0.7
233.15465	0.6
239.17964	4.1
255.79057	0.5
257.18976	9.3
272.50467	0.5
275.20078	100.0
276.20352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	1.2
55.01857	2.7
55.05268	0.8
55.05513	10.7
57.03427	1.0
57.07074	1.3
65.03928	0.8
67.05505	16.9
69.03413	1.2
69.07068	9.3
69.78348	3.9
71.04980	2.4
74.48770	0.8
79.05497	18.6
81.03363	0.8
81.07056	20.2
83.04966	2.8
83.08610	4.7
85.06528	0.9
91.05479	29.0
93.07043	17.2
95.04971	2.2
95.08607	13.0
95.35288	0.6
97.06528	3.0
97.10172	2.1
103.05444	1.0
105.07030	43.7
107.04948	3.2
107.08593	12.8
109.06516	4.8
109.10156	7.1
111.08108	1.2
115.05456	0.8
117.07003	9.6
118.50677	0.6
119.08576	26.9
121.06487	2.8
121.10144	7.7
123.08061	2.3
123.11691	1.6
125.09625	1.0
129.06998	1.6
131.08571	11.1
133.06525	1.0
133.10130	31.0
135.08058	3.1
135.11656	4.4
137.06015	1.2
137.09631	3.3
139.11172	1.4
141.07019	0.9
142.07736	0.7
143.08545	1.9
143.82811	0.7
145.09023	1.2
145.10109	13.1
147.07994	0.8
147.11678	17.0
149.09634	5.0
149.13261	2.1
151.11169	2.9
157.10117	2.2
159.08035	0.7
159.11688	6.7
161.09612	1.0
161.13284	5.4
163.11211	5.1
165.12794	1.4
169.10152	1.7
171.11693	2.8
173.13264	3.7
175.11319	0.7
175.14847	1.2
177.12808	1.1
177.16533	0.6
179.10614	0.8
179.14113	0.7
183.11742	1.9
187.11095	1.0
187.14844	1.0
189.12711	1.5
191.14302	1.1
197.13280	2.1
201.12714	0.9
209.15570	0.8
211.14799	1.0
213.16402	1.3
215.17996	1.1
229.19510	2.7
233.15401	1.0
239.17941	6.2
247.20586	2.5
257.16299	0.7
257.19000	11.8
275.20056	100.0
276.20398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03935	0.9
55.01862	1.2
55.05265	0.7
55.05515	11.0
56.96556	0.7
57.02091	0.5
57.03437	1.2
57.07071	0.8
65.03958	0.6
67.05168	0.8
67.05508	11.9
67.47676	0.5
69.07068	7.3
70.03676	2.4
71.04986	2.0
76.11422	0.5
79.05492	12.4
81.07061	14.6
83.04976	1.6
83.08623	5.2
85.06532	1.0
91.05482	36.5
93.07050	10.4
95.04957	2.0
95.07987	0.5
95.08607	9.5
97.06500	1.2
97.10170	1.8
98.97539	0.6
99.08113	0.5
103.05458	1.3
105.07034	53.3
107.04939	1.1
107.07876	0.6
107.08598	7.8
109.06515	1.7
109.10155	4.2
111.08119	0.6
113.06011	0.6
113.43052	0.5
115.05486	1.0
117.07017	7.2
118.07821	0.6
119.08586	32.3
121.06493	0.8
121.10144	3.2
123.08094	0.7
123.11709	0.9
129.07011	1.7
131.08575	11.0
133.10132	32.9
135.08052	1.4
135.11705	1.7
137.09595	0.7
143.01897	0.7
143.08578	2.0
145.10129	12.7
147.08012	0.6
147.11694	24.2
149.09583	1.7
149.13277	0.7
155.08521	0.8
157.10130	2.5
159.11685	9.1
161.09633	0.8
161.13258	5.0
163.11174	1.0
169.10112	1.5
171.11659	1.8
173.13303	3.3
175.11243	0.5
175.14761	0.9
183.11687	1.6
185.13242	2.2
187.11171	0.8
187.14984	0.7
197.13263	1.1
201.12880	0.6
201.16327	0.6
203.14326	1.6
204.46284	0.5
213.16321	0.5
219.13869	0.9
229.19521	0.6
239.17984	2.8
257.19019	7.3
275.20068	100.0
276.20419	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03953	0.9
55.01875	1.6
55.05515	11.1
57.03440	1.2
57.07068	1.1
59.05002	0.8
65.03938	0.9
67.05507	13.5
69.03429	1.3
69.07072	7.9
69.80508	1.9
70.06590	1.1
71.05012	2.2
77.03954	0.4
78.86969	0.4
79.05496	13.3
81.06580	0.7
81.07059	15.0
83.04982	2.6
83.08620	3.3
85.02924	0.5
85.06550	1.1
88.07633	1.4
89.07944	0.4
91.05484	32.4
93.07054	12.2
93.23581	0.3
95.04971	1.8
95.08611	9.1
97.06560	1.7
97.10169	2.0
98.21488	0.5
99.08121	0.6
103.05478	1.5
105.07038	50.5
106.08669	0.9
107.04980	2.0
107.08597	11.1
107.09290	0.6
109.06516	1.1
109.10163	4.2
111.08075	0.5
111.99963	1.3
113.06009	0.7
115.05414	0.7
117.07017	7.6
118.07805	0.6
119.08587	27.3
121.00483	1.5
121.06525	2.0
121.10155	4.7
123.08073	1.6
123.11730	1.0
125.09682	1.0
128.06245	0.5
129.07001	2.0
130.07776	0.5
131.08580	12.8
132.09323	0.5
133.10139	35.1
134.01340	0.4
135.08061	1.8
135.11699	2.7
137.09608	1.3
138.65971	0.3
141.06953	1.3
142.84587	0.3
143.08554	2.1
145.10133	13.7
146.10895	0.7
147.08060	1.0
147.11694	18.7
149.09628	4.0
149.13264	0.7
151.11102	0.5
153.12735	0.4
155.08571	1.1
157.10115	2.9
159.08173	0.5
159.11687	6.7
160.12486	0.4
161.09647	1.0
161.13255	4.3
163.11215	2.7
167.99710	0.6
169.10152	1.6
171.11687	2.9
173.09648	0.6
173.13257	3.6
175.11159	1.2
175.14833	0.4
177.00177	0.6
177.12766	0.9
181.12215	0.6
183.11736	2.0
185.13287	1.2
187.11203	0.6
187.14864	0.6
189.12793	0.6
191.14313	0.4
193.12308	0.5
197.13310	2.4
201.12781	1.0
210.13969	0.4
211.14847	1.4
215.14375	0.5
215.17891	0.6
217.02602	0.6
229.15913	0.7
229.19499	1.4
233.15404	0.8
239.17976	4.0
247.20567	1.2
252.04652	2.3
254.54857	0.4
257.19012	8.8
257.26620	1.0
261.05231	0.4
275.20078	100.0
275.27759	13.7
276.20441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	0.8
53.10408	0.5
55.01863	1.8
55.05270	0.6
55.05514	10.2
57.03436	3.9
57.07064	2.0
57.23157	0.6
67.05177	0.9
67.05509	13.3
69.06722	0.8
69.07070	8.1
69.22435	6.3
70.06583	2.5
71.04982	2.0
71.06940	0.6
71.08623	1.0
72.08968	0.6
79.05065	0.9
79.05495	11.3
81.07058	12.0
83.04960	1.6
83.08629	5.9
85.06517	1.8
88.07626	4.0
89.07946	1.0
91.05484	28.2
93.07058	11.7
94.44959	0.6
95.04937	1.4
95.08055	0.7
95.08614	9.2
97.06539	1.6
97.10183	1.4
98.21516	1.2
99.08106	1.0
103.05502	1.0
105.07035	43.7
106.08655	1.8
107.04943	1.7
107.08573	9.7
109.06522	2.5
109.10162	3.7
111.08108	0.7
113.05929	0.8
114.29337	0.6
116.06215	0.7
117.07020	6.9
119.08587	30.1
121.06506	1.4
121.10146	4.8
123.08027	1.0
129.07011	2.8
131.08572	9.4
132.09280	0.6
133.10138	24.6
135.08066	1.5
135.11691	2.0
137.09546	0.5
143.08566	2.4
145.06479	0.6
145.10132	13.3
147.11693	23.1
149.09636	4.0
151.11177	0.7
155.08472	0.6
157.10120	2.2
159.10443	0.9
159.11697	11.1
161.09599	1.7
161.13240	7.1
163.11205	2.1
165.09047	0.9
169.10161	1.7
171.11670	2.2
173.13301	3.7
175.11168	1.6
175.14825	1.1
177.12737	1.0
180.41293	0.6
183.11734	1.5
185.13255	4.5
187.11125	0.7
189.12708	0.6
189.67635	0.7
195.13670	0.6
197.13281	2.4
199.14813	0.7
201.16440	1.0
203.14346	3.2
213.16382	0.6
213.23973	0.6
215.14211	0.6
215.17877	0.6
219.17479	1.0
229.15886	0.6
229.19492	1.5
239.17966	4.2
247.20546	0.7
257.19000	10.2
257.26727	2.1
275.20074	100.0
275.27774	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03937	1.9
55.01863	2.5
55.05512	10.9
57.03430	3.0
57.07058	1.1
65.03938	2.1
67.05173	1.4
67.05510	17.6
69.03425	1.4
69.07072	9.7
69.88148	3.5
69.96404	0.7
71.04990	1.9
77.03960	0.8
78.25471	0.6
79.05496	20.0
79.05961	0.9
81.03397	1.4
81.06582	1.2
81.07063	26.2
83.04986	2.8
83.08612	4.6
85.06563	1.9
91.05482	30.6
93.06474	1.3
93.07052	18.1
95.04974	3.7
95.08610	13.1
97.06525	3.2
97.10185	1.9
99.08116	0.8
103.05477	1.5
105.07039	41.8
107.04987	5.5
107.08594	14.0
109.06535	6.5
109.10145	5.5
111.08113	1.7
115.05466	0.7
117.07006	7.8
119.08588	29.2
121.06505	3.7
121.10153	9.7
123.08060	5.3
123.11698	1.7
129.07005	2.5
131.08568	12.1
132.09369	0.9
133.06474	1.1
133.10133	32.1
135.08057	5.1
135.11682	5.8
137.09581	3.2
141.06969	0.9
143.08580	2.1
145.10141	12.4
147.08026	1.3
147.11694	15.3
149.09636	6.7
149.13252	1.6
151.11197	2.0
155.08565	1.1
157.10098	3.9
159.07967	0.7
159.11699	10.9
161.09637	1.5
161.13228	4.7
163.11143	4.4
169.10132	1.6
171.11688	2.5
173.13300	6.6
175.11211	2.2
175.14790	2.2
177.12749	2.1
183.11716	2.7
185.13286	3.2
187.11189	0.7
187.14879	1.1
191.14391	0.8
197.13339	1.5
199.14816	1.7
201.12755	1.4
201.16359	1.9
203.14337	2.7
205.12099	0.7
211.14874	1.0
213.16380	1.3
215.14566	0.9
215.18021	1.0
219.13811	1.5
219.17430	0.8
229.19533	3.2
233.15463	1.1
233.19000	0.8
239.17969	5.2
247.20581	3.6
257.19019	10.4
275.20081	100.0
275.27625	4.0
276.20184	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
54.64194	0.7
55.01878	10.6
55.05516	10.3
56.05021	3.1
57.07077	6.0
58.99575	6.2
61.01137	3.3
67.05494	2.9
68.05013	1.4
69.07063	2.7
70.02946	2.5
70.06583	2.3
71.00533	1.4
72.04521	6.2
73.01137	6.0
73.02899	1.1
74.00666	4.8
74.01028	0.8
76.02221	2.8
76.95649	0.8
79.05504	5.1
81.07059	16.2
82.06576	2.6
83.08605	4.4
84.04505	9.0
85.01129	7.5
85.90302	0.8
86.99045	2.6
88.02209	3.2
90.05557	10.0
91.05459	3.7
93.07040	1.6
95.08588	2.2
98.02418	5.8
98.09703	4.9
99.02693	4.7
100.04006	0.8
100.11262	33.8
101.04283	1.1
102.03759	0.8
104.01686	7.9
105.07028	3.9
107.08598	3.4
110.09678	0.8
112.11261	9.8
113.04208	1.0
115.05820	5.5
116.01684	14.1
116.03452	1.5
116.05320	15.0
117.07056	1.0
119.08549	2.6
124.11223	4.8
126.05518	41.1
133.10121	3.1
141.07361	15.1
143.08896	3.3
144.06561	7.8
145.10146	1.2
147.11676	1.5
154.12263	2.9
158.02736	15.5
158.10001	62.5
159.11763	0.9
163.43022	0.8
169.06802	0.8
172.13333	20.2
176.03751	2.6
186.09427	1.2
198.09448	1.1
215.12253	1.2
240.10550	2.6
257.13181	4.3
258.08817	1.7
258.11603	46.8
275.14255	100.0
275.19910	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	275.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01865	1.3
55.05517	7.9
57.03439	4.8
57.07061	2.0
58.07396	0.7
61.09330	0.5
67.05173	0.8
67.05506	11.0
69.07069	6.9
70.06580	3.2
71.04996	1.2
71.06913	0.7
71.08622	1.0
71.26127	1.1
73.06530	0.8
79.05058	0.8
79.05497	10.2
81.07062	11.1
83.04969	1.8
83.08618	5.2
85.06537	1.8
88.07641	3.7
89.07949	1.4
91.05486	23.1
93.07048	9.9
93.67873	0.5
95.04987	0.8
95.08048	0.9
95.08603	9.1
97.06510	1.1
97.10171	1.5
102.09165	1.1
103.05447	0.8
105.07036	39.0
106.08668	2.5
107.04958	1.5
107.08566	8.0
109.06517	1.9
109.10141	3.0
111.08039	1.2
113.06021	0.7
115.05463	0.9
117.07024	7.9
119.08584	23.6
119.95483	0.5
121.06497	1.0
121.10133	4.6
123.08060	1.2
128.06255	0.9
129.06995	2.7
131.08571	9.2
133.10132	19.8
135.08064	1.2
135.11646	2.9
141.06996	0.8
143.08507	2.6
145.10121	10.2
146.10905	0.6
147.11694	19.3
149.09637	3.4
155.08524	1.0
157.10118	2.5
159.11696	10.8
160.12312	0.5
161.13281	6.1
163.11189	2.3
169.10063	1.3
171.11667	1.5
173.13287	3.9
175.11302	0.8
175.14803	1.6
177.12711	0.8
183.11697	1.7
185.13263	6.0
185.67677	0.6
187.11211	0.7
197.13261	1.5
198.88225	0.6
199.14815	0.7
201.12746	1.1
201.16449	1.1
203.14302	4.7
210.53239	0.5
211.14807	0.7
219.17433	1.7
229.19490	1.0
239.17952	3.8
247.20619	0.9
249.34344	0.5
257.19009	10.9
257.26675	2.4
275.20065	100.0
275.27753	39.2
276.20221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	6.6
67.05489	0.7
69.03410	0.8
69.22427	5.2
70.06585	1.2
71.95280	0.8
72.08142	0.8
72.93790	0.7
76.02238	0.5
79.05482	0.8
81.03403	0.9
83.04971	0.8
84.04504	1.7
84.08141	0.9
84.96008	1.6
85.02901	1.0
90.05545	1.6
91.05499	1.1
93.07026	0.8
98.97587	7.8
100.02190	1.2
105.07006	0.8
107.04968	0.7
110.97570	0.8
113.00070	0.6
113.05981	0.5
116.98623	4.7
120.08115	0.6
126.05505	0.6
127.04002	0.5
129.02228	1.2
134.99669	2.1
139.95720	0.5
143.03781	2.0
147.03310	1.0
147.11633	0.8
148.73660	0.6
161.04895	2.5
176.98439	0.5
187.13092	0.5
189.04364	1.6
191.02228	4.6
199.13141	0.9
205.03879	2.3
207.05452	0.7
209.03279	4.4
210.96904	5.3
214.04051	0.6
214.08647	7.6
216.01239	0.6
216.05634	1.1
217.10516	6.5
228.97952	3.4
229.11020	6.1
231.05504	1.2
233.03311	3.8
233.98553	3.4
243.12160	2.3
251.04507	2.2
275.11026	100.0
275.20120	1.5
292.98615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76962	6.4
56.96338	7.4
56.96569	93.4
61.76026	7.2
70.20529	33.9
70.98126	89.0
71.95257	11.2
82.99810	8.3
84.08167	10.4
88.99174	17.8
98.97580	69.4
101.00886	31.7
110.97602	19.9
113.00778	6.6
116.98611	14.1
117.75919	7.3
119.01942	45.9
125.07155	7.9
128.98607	17.3
131.01871	7.8
134.06018	8.4
143.01932	11.3
145.03523	13.1
146.99631	16.4
154.96530	30.0
159.05034	10.3
165.00771	9.6
170.95984	13.1
172.97612	100.0
187.04483	13.8
190.98674	87.6
200.97122	13.0
205.00192	19.5
218.98083	31.0
231.03593	9.4
232.99673	82.0
233.04988	13.0
245.97348	7.3
247.79787	7.0
251.00676	44.1
257.14984	10.7
269.01871	7.5
274.97528	10.7
275.01733	28.4
275.10870	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	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03941	1.5
55.01847	0.4
55.05263	0.6
55.05511	7.6
56.96564	0.7
57.06829	0.6
57.07080	7.0
57.24886	0.4
57.91005	0.4
59.71434	0.4
65.03934	0.5
67.05508	17.5
69.03424	0.6
69.07072	14.7
70.85323	0.4
71.08638	3.0
79.05064	0.6
79.05496	10.2
81.07059	32.2
83.04974	0.4
83.08625	6.9
85.10207	0.9
90.54107	0.5
91.05482	11.4
93.07045	18.4
95.04990	0.6
95.08609	44.6
97.10171	2.9
98.97585	1.2
103.05480	0.6
104.01641	0.4
105.07032	27.2
107.04961	0.7
107.08598	19.3
109.10159	22.3
111.11711	1.1
111.24667	0.4
116.98662	0.5
117.07020	1.2
117.40000	0.5
119.04950	0.4
119.08586	20.2
121.06506	0.4
121.10144	13.3
123.11713	9.2
127.03838	0.5
129.07019	0.6
131.08568	2.0
133.10135	38.2
135.08084	0.4
135.11700	11.3
137.05966	0.5
137.13234	3.1
143.08546	0.8
145.10143	2.3
147.11690	19.8
149.13254	6.9
151.14784	2.6
153.01836	1.2
153.06915	0.6
155.11794	0.5
157.10170	0.8
158.02704	1.2
159.11728	1.3
161.09576	0.9
161.11974	0.9
161.13266	15.0
163.14825	4.5
164.34044	0.5
165.16402	2.5
175.14824	9.7
177.16405	6.3
179.17960	1.3
181.06380	0.6
189.16391	11.5
191.17938	4.7
193.19501	0.7
203.17975	7.2
205.19551	0.5
213.16321	0.4
217.19514	8.5
231.21082	2.0
245.22684	1.3
255.17303	0.8
273.07419	1.3
273.12531	1.4
273.18500	3.3
273.25775	100.0
274.26178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1439
Annotation	alpha-Erythroidine
Peak:m/z	Relative Intensity
55.05514	0.6
56.96571	0.7
58.06610	0.6
70.06595	0.9
70.52764	0.6
70.53114	1.3
72.08159	0.6
81.64949	0.4
83.04949	0.5
84.08150	1.1
84.42899	0.5
85.02876	0.9
86.09680	0.5
91.05482	2.9
91.07358	0.5
95.07432	0.4
98.97570	0.8
100.07607	1.0
105.06990	0.5
115.05415	0.6
118.06547	0.8
120.08109	0.9
127.03854	0.4
128.06168	0.8
129.07013	1.9
130.06523	1.5
131.07309	1.2
132.08112	1.2
141.06987	1.9
142.07852	0.6
143.08522	1.5
144.08112	1.9
149.08334	1.1
153.07004	2.4
154.06564	0.7
154.07796	2.0
155.07310	0.8
155.08556	1.1
156.08112	3.0
157.08873	1.5
157.10097	0.7
158.09642	2.1
167.07292	1.1
167.08591	2.1
168.08121	3.0
169.08836	1.0
169.10161	3.8
170.09660	27.5
171.10419	3.8
172.07568	1.9
174.09088	0.5
178.07777	0.6
179.08534	1.6
180.08090	1.2
181.08890	3.8
182.09659	1.1
183.10399	0.5
184.11201	4.3
185.08337	1.2
185.11977	5.6
186.09131	0.9
186.12794	8.4
194.09641	1.2
195.10371	0.5
196.11209	7.5
197.09605	0.7
198.09119	2.2
198.12787	1.0
199.09908	3.4
200.07060	1.4
206.09627	0.4
209.08371	1.0
212.10620	2.2
213.11507	1.0
214.12271	16.4
215.13899	0.8
224.10692	3.5
227.09375	0.7
240.10217	1.3
242.11761	100.0
252.00787	0.4
274.14365	31.3
274.20987	0.9
275.10995	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	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
52.14957	1.8
55.05515	15.8
57.07069	6.7
67.05508	23.4
69.07075	31.2
69.74852	9.8
79.05505	12.2
80.18962	1.8
81.07060	71.2
83.08627	13.6
91.05471	10.9
93.07043	37.6
95.08612	68.7
95.09052	1.1
97.10153	11.7
101.89568	2.0
105.07039	22.0
107.08601	52.4
109.10165	61.0
110.48694	2.0
111.11755	4.2
119.08590	24.2
121.10142	46.5
123.11723	46.7
125.13278	2.2
133.10141	14.8
135.11700	32.6
135.39330	2.2
137.13254	11.6
141.69981	1.9
147.11658	14.0
149.13269	51.4
151.14810	6.9
161.13249	30.4
163.14839	25.3
165.16357	2.5
175.14861	15.9
177.16402	19.6
189.16333	16.3
191.17990	8.7
203.17976	14.4
217.19514	25.1
231.20943	2.6
269.65063	1.8
273.25775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2215
Annotation	androstenone
Peak:m/z	Relative Intensity
53.03944	1.3
55.05514	6.2
56.96559	1.2
57.07068	1.5
60.63645	1.4
67.05231	0.9
67.05519	7.8
69.07071	5.7
69.26415	2.5
69.26831	7.6
71.04993	14.9
79.05495	8.5
81.07059	35.2
83.08609	4.2
85.06534	2.9
91.05489	7.1
93.07052	19.7
95.04955	4.2
95.08056	1.8
95.08616	23.8
95.09183	0.8
97.06519	2.2
97.10171	2.4
105.07030	29.9
107.08602	18.3
109.06536	5.7
109.07167	1.1
109.10166	10.2
111.08087	18.6
113.09660	8.0
117.07001	4.5
119.08589	64.0
121.06537	1.2
121.10149	21.8
123.08099	1.7
123.11717	9.3
129.07040	2.6
131.08589	16.7
133.10152	11.8
135.08084	1.4
135.11699	6.1
137.09602	2.1
137.13264	1.7
139.11293	1.2
143.08583	7.7
144.09312	1.6
145.10127	22.4
147.11699	10.8
149.09625	1.8
149.13269	6.8
151.11148	2.0
157.10139	13.7
159.11705	55.1
161.13274	13.3
163.11128	1.6
163.14824	4.9
171.11700	8.0
173.13268	18.6
175.14774	7.0
177.12764	7.6
179.14313	3.6
185.13290	8.7
187.14861	5.5
189.16400	4.8
199.14807	16.1
200.15706	1.2
201.16261	1.4
203.14241	1.2
203.17932	3.5
213.16403	10.3
215.17964	73.6
217.15977	2.4
219.21260	1.0
226.01546	1.5
227.17894	2.8
229.19511	8.8
255.21101	60.8
273.07428	2.0
273.18863	3.2
273.22131	100.0
274.27383	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	273.127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58902	0.9
50.73570	0.8
55.01875	7.9
55.05532	5.6
56.05041	31.1
56.96561	4.0
57.03444	1.0
57.07071	1.1
58.99588	5.0
60.04538	1.8
60.33513	0.9
61.01149	1.8
67.05508	9.3
67.86366	0.9
68.04715	0.8
68.05030	5.2
69.03422	3.3
69.07076	12.1
70.02971	6.4
70.99561	2.4
71.01334	0.8
71.04996	1.3
71.06110	0.8
71.08641	1.1
71.57162	1.1
72.04518	4.4
73.01170	1.2
73.02909	2.5
76.02245	1.6
79.05512	8.9
80.05018	3.9
81.03410	2.0
81.05791	1.1
81.07064	14.5
82.06577	1.2
83.04954	0.9
83.08628	2.2
84.04502	3.9
84.08135	0.9
85.01140	12.9
85.02904	3.6
86.00671	6.1
86.99052	3.6
87.00836	0.9
88.02229	2.4
90.05556	7.0
91.05492	6.5
93.05753	0.9
93.07061	7.7
94.06560	2.6
95.04978	4.6
95.08617	10.3
96.04559	0.9
96.08118	3.1
97.01105	3.6
98.02417	2.4
98.09702	55.5
98.97600	7.0
99.04438	1.4
99.05567	2.1
104.01688	7.6
105.07040	6.6
105.44276	0.9
107.04972	4.8
107.08590	4.8
108.08127	4.1
109.02909	1.6
109.10169	4.8
110.09696	12.3
111.04429	1.6
112.99178	0.8
113.04241	15.8
114.03744	2.2
115.05718	0.7
116.01690	18.3
116.07109	2.8
116.98653	2.1
117.07011	1.7
119.04947	2.0
119.08596	6.6
121.02866	1.8
121.06472	1.6
121.10130	4.4
122.09669	5.1
123.04436	36.7
123.10432	1.6
123.11743	1.2
125.13136	0.9
126.05535	7.6
127.03929	2.6
128.98775	0.8
130.05029	0.9
130.06857	1.0
131.08559	3.5
133.10135	6.5
135.11734	2.9
137.05994	6.8
137.09605	2.0
139.03880	1.9
139.05751	1.5
141.06621	1.7
143.08545	1.4
144.06535	5.1
144.10199	1.4
145.10141	3.3
147.04355	0.8
147.08055	1.0
147.11699	2.7
149.02330	5.2
149.05977	2.1
149.13269	2.0
151.07535	1.7
152.10709	3.0
153.01900	1.1
153.07036	1.8
156.08449	29.3
157.10101	1.4
158.02705	15.7
158.99648	2.1
159.07672	5.1
159.11690	2.0
161.05916	1.1
161.13225	1.8
163.14861	1.7
169.05009	1.2
170.11787	30.2
171.11668	1.0
171.61464	0.9
176.03740	2.0
177.00720	1.5
177.16406	1.3
181.06598	1.5
184.07869	0.9
187.05968	1.0
189.16550	1.1
213.10678	1.7
217.19655	1.1
219.01852	1.1
220.60405	0.9
230.08441	4.9
240.05016	0.9
245.08119	14.1
255.11584	4.1
255.13960	1.0
255.17249	1.0
256.10025	2.4
258.04794	1.8
264.14920	1.5
273.07904	20.8
273.12683	100.0
273.18655	5.1
273.25787	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.66017	0.8
53.03938	1.2
55.01868	4.2
55.05264	1.0
55.05512	16.3
56.96560	1.0
57.03441	4.6
57.07055	1.2
57.42922	0.7
67.05509	13.1
69.03435	1.5
69.07061	7.2
69.67661	0.9
71.04968	2.1
71.56854	1.0
79.05492	11.0
81.03418	1.6
81.07052	14.0
83.04975	2.5
83.08617	7.1
85.06537	1.6
91.05481	24.0
93.07052	10.2
95.04965	1.8
95.08608	9.3
97.02902	0.9
97.06525	1.6
97.10172	3.3
98.97565	1.6
103.05473	2.0
105.07038	22.1
107.04945	2.7
107.08588	7.1
109.06519	3.6
109.10143	3.1
115.05450	3.8
116.06243	2.9
117.07018	28.2
119.04934	1.3
119.08591	17.2
121.02844	1.5
121.06483	1.7
121.10111	4.0
123.08034	1.7
125.05973	0.9
125.09626	1.3
128.06207	4.5
129.07007	15.3
130.07771	5.7
131.05009	1.1
131.07587	2.0
131.08571	35.1
132.64365	0.8
133.06496	4.0
133.10141	8.2
135.08057	3.4
135.11656	1.8
137.02347	1.1
137.05956	1.3
141.07013	1.8
142.07767	3.0
143.08560	22.5
144.09296	1.3
145.06474	1.2
145.10129	44.3
146.07353	1.1
147.08052	11.2
147.11665	3.8
149.02351	1.2
149.09630	1.4
149.13322	0.9
153.01743	0.9
155.08556	2.9
157.06570	1.1
157.10133	11.7
158.10985	1.3
159.08084	5.3
159.11711	11.5
159.54541	0.9
161.09636	8.1
161.13187	1.3
163.03932	4.3
163.11127	1.4
169.10127	4.3
171.08092	0.8
171.11696	8.8
173.09607	2.5
173.13271	3.2
175.11176	4.4
181.10127	2.9
183.11697	2.0
185.09656	0.9
185.13206	2.6
187.11140	1.3
195.11656	4.7
199.11115	1.8
199.14824	2.3
201.12753	1.9
209.13168	1.0
211.14864	1.2
212.04608	1.0
213.12808	1.2
213.16467	1.7
217.15825	4.7
227.07111	2.7
227.17964	2.8
237.16301	6.1
242.33084	0.9
245.19072	1.9
255.06540	1.7
255.17426	12.5
273.07358	2.3
273.12491	2.6
273.18503	100.0
273.25943	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.127
Annotation	7,12-Dimethylbenz[a]anthracene 5,6-oxide
Peak:m/z	Relative Intensity
53.03943	1.4
55.01874	14.4
55.05511	4.6
56.05038	8.6
58.06600	1.2
58.99595	5.9
61.01145	3.0
67.05511	1.9
68.05014	3.3
68.05346	1.0
69.07063	3.6
70.02903	1.2
70.76058	1.0
72.04520	7.0
73.01151	1.1
73.02898	1.1
74.00658	3.0
76.02236	2.0
77.03951	1.0
79.05065	1.7
79.05501	23.5
80.05015	3.8
81.05804	1.2
81.07063	20.1
82.06583	7.9
83.08604	1.8
84.04511	18.4
84.08151	1.4
85.01137	59.6
85.03998	1.6
86.00653	20.8
86.99062	2.2
87.02663	1.3
88.02222	3.5
90.05568	12.4
91.05506	1.9
92.01701	2.5
93.05791	1.2
93.07054	3.9
94.06586	6.9
95.04964	1.8
95.07346	2.9
95.08603	4.4
96.08141	12.1
97.01117	3.3
97.08915	8.2
98.09101	1.7
98.09706	26.9
98.97579	3.4
100.02226	1.7
100.03976	2.0
104.01692	6.6
105.07071	5.8
107.08607	1.5
108.08130	3.9
109.08916	1.7
109.10184	1.4
110.09698	9.9
111.02647	1.3
113.04243	42.7
116.01666	12.2
122.09677	10.1
123.10438	2.5
126.05527	64.6
127.05046	7.8
131.02737	1.4
133.10063	1.3
139.05783	5.4
144.06569	51.6
145.06093	1.7
147.11751	1.3
152.10732	1.5
156.08438	50.8
158.02740	15.8
158.99721	1.5
170.11781	16.1
176.03802	2.7
185.03780	2.7
191.04852	16.1
193.06377	1.5
203.04890	4.4
255.11632	3.0
256.10062	19.3
273.12711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01877	0.4
55.05494	0.5
56.96562	0.5
65.03945	0.4
67.01859	2.0
67.05502	1.0
68.99780	1.8
69.03414	1.4
69.07060	0.8
70.15649	0.3
70.72018	0.7
70.72359	0.5
73.04028	0.4
79.05482	0.5
81.07068	0.7
82.68991	0.4
83.04958	0.4
83.08587	0.6
85.02929	0.5
85.09186	0.4
87.57213	0.5
91.05487	5.1
93.07080	0.5
95.04954	2.1
95.08611	0.7
97.02896	1.0
98.97594	0.9
102.20689	0.4
105.07032	1.1
107.04969	3.5
107.08559	0.6
111.00831	0.5
119.04946	16.3
119.08559	0.6
121.06441	0.6
123.04408	4.1
129.07050	0.5
131.08582	0.4
134.01421	0.3
137.05960	0.8
143.08508	0.5
145.10211	0.5
147.04413	43.9
147.11613	0.6
153.01831	100.0
155.08708	0.4
157.10168	0.7
160.34831	0.4
167.06981	0.6
171.02893	0.8
171.11749	0.5
179.03383	0.9
185.13414	0.4
186.84521	0.4
189.05550	0.7
215.13937	0.4
237.16486	0.5
263.73355	0.4
273.07581	93.9
273.18567	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1124
Annotation	Uvangoletin
Peak:m/z	Relative Intensity
55.05508	1.8
56.38078	0.8
56.96557	2.7
57.07049	1.1
58.06598	1.3
65.03928	1.9
67.05495	1.5
68.99779	2.3
69.46967	0.8
71.55922	1.0
76.07636	0.8
79.05474	2.4
81.07043	2.8
81.96724	0.9
91.05487	100.0
93.07043	1.0
95.04967	0.8
95.08613	1.6
96.01014	0.8
103.05447	1.1
105.07038	80.6
105.14682	0.8
107.08631	0.9
111.00770	0.9
111.04404	1.1
115.05464	14.1
117.07000	3.6
119.04913	1.2
119.08635	1.2
121.06506	1.4
123.04454	1.3
128.06184	1.2
129.06999	3.0
131.00169	0.8
131.08536	1.2
133.06494	16.5
135.04332	1.1
135.11769	1.0
136.06982	0.8
137.05922	1.8
139.03929	10.2
141.05470	3.7
145.10085	1.4
147.04431	1.6
149.01216	1.9
152.06232	1.1
153.01830	0.8
153.05473	10.0
153.06865	1.6
155.08533	3.0
157.06491	2.8
162.03127	1.2
163.03880	3.9
165.05542	1.7
165.06961	1.6
167.08556	5.3
169.04971	3.3
177.04039	1.3
177.05481	15.8
177.06883	0.7
191.10045	1.2
195.08037	5.2
211.61382	1.6
223.07536	5.2
227.10722	1.9
239.06891	1.0
240.07852	1.2
255.10173	35.3
272.29361	4.7
273.08078	1.7
273.11215	48.0
273.18680	1.8
273.29828	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	273.0758
Annotation	(3R)-2'-hydroxydihydrodaidzein
Peak:m/z	Relative Intensity
53.03931	1.7
55.01876	8.2
55.05500	2.9
56.04789	1.2
56.05040	20.8
56.96553	1.6
58.06588	2.3
58.99582	2.6
60.04504	1.4
67.05485	1.4
68.05024	3.3
68.99783	3.0
69.03419	2.0
69.07062	2.4
69.32182	7.0
70.02964	4.0
70.06583	2.7
70.99581	2.0
72.04520	3.1
72.08139	1.2
73.01098	1.5
73.02906	1.2
76.02230	1.0
79.05501	7.0
80.05035	2.1
81.03425	3.8
81.05779	1.3
81.07038	3.2
82.06580	1.3
83.08615	0.8
84.04514	5.9
84.08127	3.0
85.01130	7.7
86.00648	4.9
86.99065	2.6
87.02679	2.2
88.02185	1.7
90.05505	3.7
91.05453	2.2
93.07043	1.9
94.06555	2.8
95.04973	6.3
95.08601	1.0
96.08120	3.1
97.01113	2.2
98.02409	2.4
98.06054	2.0
98.09698	35.2
98.20778	1.6
98.97585	1.9
104.01690	4.9
105.04512	1.0
105.07038	1.1
107.04961	81.0
108.08120	2.7
109.02849	1.1
110.09678	6.2
111.04471	1.6
112.11254	1.1
113.04240	12.4
114.03785	1.2
115.05714	1.1
116.01685	11.4
116.07117	5.3
116.98647	0.8
119.04937	3.3
119.08552	1.0
120.08130	0.9
121.02849	1.5
121.06511	1.1
122.09645	3.9
123.04435	8.3
123.10453	1.1
125.05965	2.5
126.05527	10.6
128.06277	0.9
129.07059	1.3
130.04141	0.8
130.04977	2.1
130.06844	2.3
131.02780	1.1
131.04945	1.8
131.08607	1.1
133.02847	1.3
134.03561	1.1
135.04405	5.4
135.05563	2.8
137.02353	55.9
137.05983	92.7
139.03862	0.8
139.05748	1.4
141.05452	0.7
141.06874	4.0
143.02779	1.3
143.08615	1.1
144.06583	4.8
145.06505	1.9
147.04407	3.4
149.02335	7.3
149.05991	2.4
151.03905	3.5
152.06155	1.0
152.10719	1.7
153.01810	2.3
153.07040	4.1
156.08437	19.2
157.06476	2.9
158.02716	9.5
159.07777	2.9
163.03897	6.8
169.06464	5.7
170.11771	15.9
171.08028	1.9
173.05940	1.3
179.00014	0.9
179.03439	5.2
181.06485	8.6
184.07793	1.1
185.03793	2.3
185.05951	2.5
186.08646	0.9
187.07594	1.9
187.09389	0.7
197.06004	7.7
198.06761	1.2
199.07549	62.2
209.07138	1.2
213.03670	0.8
213.05511	2.9
213.10788	2.2
215.07037	79.6
225.11598	1.0
226.06435	1.1
227.07028	34.7
229.10690	1.9
230.08449	5.1
230.11494	1.8
240.10089	1.1
241.08531	0.9
241.10709	1.1
242.11462	1.1
243.06540	55.3
245.08031	1.3
245.13766	0.9
255.06523	27.5
255.11658	3.2
256.09985	2.3
256.13309	5.0
257.10104	1.9
272.12762	4.2
273.08078	13.4
273.12714	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	272.1129
Annotation	Deidaclin
Peak:m/z	Relative Intensity
53.03942	0.4
53.62049	0.4
55.05526	0.4
56.05050	0.3
56.96572	4.2
57.03432	1.7
61.02924	2.7
65.03944	5.4
69.03423	3.6
70.06586	1.6
70.07181	1.8
72.08150	1.1
73.02912	2.3
80.05020	0.6
81.03413	1.2
81.04555	0.9
81.07074	0.6
83.06107	0.7
84.08131	0.7
84.96041	1.3
84.96616	0.3
85.02911	10.1
86.09706	0.5
87.04480	0.8
91.03984	0.4
92.05010	62.6
93.05791	5.9
94.06012	0.7
94.06573	8.8
95.06094	0.7
97.02885	3.1
98.21448	0.4
98.97585	3.8
99.04465	1.1
100.99146	0.8
101.00899	1.0
101.02368	0.4
103.00683	0.7
107.04957	0.7
109.02895	1.3
110.06050	100.0
110.97649	0.6
112.07617	0.5
112.99151	1.2
115.03929	0.5
116.03082	0.5
116.98623	1.5
118.02835	0.5
119.01888	1.3
120.02042	0.6
121.01642	0.9
124.03965	1.1
124.08707	0.9
124.99109	1.1
127.03967	2.3
131.00209	0.5
135.04358	0.5
142.01889	0.4
143.00177	1.2
143.01889	0.5
144.05177	0.4
145.01743	0.6
145.04985	0.8
152.07079	2.9
153.05789	2.3
153.55818	0.5
154.03893	0.6
158.99690	1.3
161.01265	1.1
161.02994	0.8
161.06607	0.6
161.54428	0.5
162.06393	0.4
163.02791	0.7
163.04141	2.7
163.12344	0.5
169.04375	0.8
176.07111	0.9
177.00798	0.7
178.04921	2.5
189.00804	0.7
191.03807	0.5
192.78152	0.4
193.03952	0.4
203.03958	0.5
205.00279	0.9
208.14368	0.5
212.04353	2.3
226.15575	0.6
231.01810	0.5
234.11301	1.2
248.99174	1.1
249.02817	0.9
249.08308	0.6
254.10258	2.7
254.14812	0.6
272.11288	41.0
272.16061	3.3
272.19678	2.9
291.09198	0.6
293.16208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05499	5.4
57.07060	3.3
67.02519	1.3
67.05507	12.0
69.07065	12.3
69.29231	12.3
74.64740	1.3
75.10123	1.4
79.05473	3.7
81.07063	19.8
83.08609	4.3
85.76585	1.2
90.39236	1.4
91.05476	5.3
93.07056	15.1
95.08609	26.3
97.10165	2.7
100.02469	2.7
103.05388	1.5
105.07042	13.7
107.08605	20.3
109.10163	19.8
111.11709	2.0
117.07061	1.3
119.08572	18.6
121.10146	15.9
123.04463	1.7
123.11720	12.1
131.08597	7.1
133.10138	13.9
135.11681	9.4
137.13240	1.8
145.10129	12.0
147.11716	12.4
149.13286	9.2
153.01877	2.6
153.03940	2.0
157.10243	1.4
159.11658	12.3
161.13284	13.8
163.14827	9.2
171.05084	1.9
173.13258	12.4
175.14832	12.1
177.16389	7.9
181.03461	13.5
186.14066	1.7
187.14819	13.4
189.16417	4.1
199.04596	12.4
201.16397	15.2
203.17818	1.8
204.05043	10.8
215.17947	13.5
221.10757	2.3
222.06186	8.9
227.06702	2.1
229.19533	5.4
239.11763	7.3
243.10106	3.2
248.04073	4.6
271.06012	29.0
271.09436	6.1
271.14609	3.8
271.19302	2.7
271.24222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05507	5.8
57.07069	2.1
67.05502	12.1
68.84605	0.7
69.07066	10.9
70.56676	0.7
79.05502	5.0
80.49092	0.8
81.06585	1.7
81.07059	31.3
83.08611	4.6
91.05475	5.9
93.07047	16.2
95.04945	0.9
95.08614	27.1
97.10150	2.2
105.07037	17.4
107.08601	23.5
109.10166	19.8
111.11740	1.5
117.06983	2.4
119.04939	0.8
119.08583	18.3
121.06391	1.0
121.10143	18.7
123.11720	10.7
131.08528	4.8
133.09207	1.4
133.10135	12.3
135.11703	9.7
137.13235	2.2
143.08553	1.1
145.10123	9.5
146.49443	0.8
147.11687	12.9
149.13261	12.5
153.01836	2.2
159.11685	11.5
161.13281	20.6
163.14848	12.3
167.03459	1.2
171.11693	0.8
173.13231	6.3
175.14827	13.3
177.16360	4.1
187.14857	6.4
189.16408	6.9
201.16386	10.6
203.17996	2.0
215.17969	17.5
221.10742	1.0
229.19554	2.5
229.48318	0.8
239.11755	5.3
243.10101	5.3
243.21024	1.3
246.92239	0.8
271.06030	15.9
271.09613	5.1
271.24234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91813	0.2
56.96544	0.7
69.03387	0.3
69.43072	1.5
69.43481	0.5
70.06563	1.1
79.05452	0.4
84.08107	0.5
85.02889	0.7
91.05477	1.6
97.02880	0.3
98.20796	0.5
98.97545	0.7
101.00818	0.4
106.06541	0.3
118.06563	0.3
119.01891	0.4
122.06821	0.3
131.01886	0.3
134.05962	0.4
141.06964	0.8
147.05511	0.5
150.05479	0.4
152.04929	0.3
152.07170	0.5
153.05771	0.4
154.06570	0.3
156.06760	0.4
156.07970	0.4
165.07013	4.7
166.06517	0.3
167.07292	1.1
167.08594	1.5
168.08095	1.1
173.07097	0.6
176.09424	0.4
177.07005	0.5
180.08084	0.7
181.08937	0.6
182.08311	0.4
182.09718	2.0
184.06252	0.3
184.11198	0.5
191.07347	0.7
192.06720	0.3
192.08116	4.0
193.07576	4.3
193.08952	0.5
194.09689	3.6
195.09123	1.1
196.07585	2.6
196.09906	0.9
197.07047	1.8
199.08643	1.2
204.08080	3.2
205.07532	0.3
206.08391	2.9
209.07065	2.9
209.10835	0.5
210.04935	0.4
210.07819	10.2
210.09218	10.4
211.08675	12.7
211.12250	1.0
212.10713	0.4
219.09288	0.7
220.09895	0.7
221.10738	13.2
222.09224	5.3
222.11406	0.9
223.06493	0.3
223.08661	6.7
223.12062	0.4
224.09457	11.1
229.05643	0.4
237.10225	7.4
238.10898	0.4
239.11797	100.0
240.12260	0.3
253.12784	0.3
254.65500	0.4
271.14432	21.9
293.79907	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.2
57.07056	6.3
67.05514	12.4
69.07076	17.6
69.21642	1.8
69.22045	14.8
71.08642	2.2
73.01962	1.4
79.05492	7.8
81.07062	38.8
83.08608	5.8
88.07607	1.5
91.05476	8.0
92.85782	1.8
93.07044	22.2
95.08609	33.7
97.10147	1.7
105.07032	20.9
107.08595	31.5
109.09464	2.2
109.10159	25.3
117.07034	3.0
118.32584	1.7
119.08586	23.4
121.10147	29.5
123.11700	14.9
131.08609	7.6
131.15208	1.6
133.10130	16.1
135.11682	13.4
137.13234	3.4
143.08521	2.3
145.10130	15.2
147.11702	22.0
149.13261	17.6
153.01778	1.9
157.10147	2.2
159.11688	20.9
161.13261	15.5
162.68791	1.6
163.14809	12.3
167.03336	1.7
173.13252	14.5
175.14821	6.8
175.47130	1.6
177.16452	8.3
187.14839	11.8
189.16394	5.0
200.08429	2.4
201.16383	13.7
203.17982	2.6
207.01881	1.6
215.17978	16.1
225.43527	1.8
229.19495	3.8
239.11725	10.4
243.10170	5.8
271.06012	29.7
271.09625	7.7
271.14490	4.8
271.24210	100.0
294.07397	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
53.23481	0.8
55.05499	1.5
57.07057	0.7
58.06600	0.8
60.24711	0.7
67.05486	3.0
68.70161	0.7
68.99805	0.7
69.07063	2.1
71.27206	1.3
76.70544	0.7
79.05475	1.8
81.07040	3.3
91.05461	2.3
93.07046	1.8
95.04937	0.8
95.08604	2.6
96.08134	0.9
98.97620	0.8
105.07030	1.7
107.08594	2.2
109.10152	2.5
118.06541	1.0
119.08585	2.1
121.10132	1.3
123.04427	1.6
124.07645	1.1
131.04955	0.9
133.10130	1.7
135.11652	0.9
137.05949	2.1
141.06967	1.0
144.08049	1.4
145.06503	0.7
145.10095	1.0
147.04391	1.3
147.11702	1.3
148.07645	1.0
149.13243	0.9
151.11215	0.9
153.01810	1.5
154.06534	1.1
157.10147	1.0
158.06024	1.1
159.09201	1.1
159.11668	0.9
161.13234	1.2
165.06909	1.0
168.08078	6.6
169.08847	2.1
170.09737	1.0
173.13197	1.0
175.14767	1.1
182.09648	2.2
183.10425	8.2
184.10037	1.2
186.05545	0.8
197.08366	1.1
198.12773	7.5
199.08749	3.4
201.16339	0.8
211.07770	0.9
211.09903	2.1
211.11816	0.8
212.09456	2.7
213.10277	6.9
214.11057	1.3
215.07030	2.0
215.15482	2.8
221.10750	2.2
226.12312	10.1
227.08261	1.0
227.11790	24.1
228.12593	17.6
238.11162	0.7
239.11801	11.2
240.08920	1.5
241.09959	1.5
241.13014	0.9
243.06509	1.7
243.10237	1.9
243.14948	12.4
255.11290	46.8
256.12088	52.7
269.12848	3.1
271.06030	26.7
271.09613	9.5
271.14417	100.0
271.24164	6.8
272.25659	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03971	0.6
55.01900	0.7
55.05544	0.5
55.96830	0.2
56.96596	1.2
57.87796	0.3
58.51324	0.3
64.13142	0.3
67.05540	0.9
68.99829	0.3
69.03469	0.5
69.07075	0.6
69.41525	0.7
69.41932	1.7
71.05022	0.4
79.05531	1.1
81.03450	0.4
81.07056	1.8
85.02935	0.4
91.05499	1.5
93.07057	1.6
95.05015	1.0
95.08602	1.4
97.10197	0.3
98.97585	3.0
103.05514	0.5
105.07075	1.1
107.04997	1.0
107.08653	1.0
109.06541	0.3
109.10201	0.6
115.05458	0.4
116.98633	0.6
117.07052	0.3
119.04942	0.7
119.08622	1.2
121.06552	1.3
121.10206	0.9
123.04482	0.7
129.07108	0.4
131.04968	1.0
131.08640	0.6
133.10205	0.9
135.04437	3.5
137.05991	3.2
138.50836	0.3
141.07004	0.6
145.06490	1.4
145.10124	0.5
147.11697	0.5
148.05254	1.1
149.13298	0.4
152.06245	1.0
153.01927	0.9
153.06958	1.9
155.08594	1.0
157.06531	1.3
158.99663	1.3
159.08110	1.1
159.11746	0.7
160.08841	0.3
161.05972	0.4
163.03918	9.4
165.07013	3.0
168.05699	3.8
169.06462	1.9
171.08029	0.6
172.08852	2.1
172.10107	0.6
173.13185	0.3
177.00749	0.6
181.05017	0.3
181.06517	1.3
181.10632	1.5
182.07339	0.6
183.08047	4.6
184.08838	1.3
185.05972	2.3
185.09706	0.3
187.09175	0.3
196.05244	1.1
196.07172	0.3
197.05977	2.0
198.06894	0.4
199.07585	2.9
200.08347	10.7
201.05618	0.3
201.61935	0.4
207.09181	0.4
210.06845	0.6
210.91025	0.3
211.07553	10.8
212.08345	2.1
213.05489	1.3
213.09045	0.5
215.07141	0.4
215.10759	1.2
221.06006	0.6
221.10776	0.6
222.11470	0.3
225.05473	0.7
227.07051	1.8
228.07823	9.6
239.06851	0.6
239.11810	3.4
240.07899	0.5
243.10187	100.0
244.10489	0.7
256.07260	0.6
271.06128	6.6
271.09650	55.8
271.24414	1.7
271.27136	0.3
272.09851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
52.42631	0.3
53.03952	0.7
55.01901	0.3
55.05520	0.7
56.67131	0.3
60.95844	1.0
66.70394	0.3
67.01870	2.9
67.05508	1.0
68.41262	0.3
68.99796	0.6
69.07074	1.0
71.45693	0.6
79.05495	3.1
81.07058	1.4
83.04945	0.4
83.08624	0.7
84.17187	0.4
89.45135	0.3
91.05472	3.7
93.07064	0.9
95.04974	0.8
95.08617	1.0
98.97607	0.7
99.04453	0.5
103.05479	23.3
105.03413	0.7
105.07043	1.2
107.04962	3.0
107.08618	0.6
109.06506	0.8
109.10185	0.5
111.04459	2.2
119.04976	0.5
119.08597	1.0
121.06529	0.5
121.10178	0.5
123.04449	0.4
123.11736	0.6
129.06989	0.3
131.04938	47.8
133.10130	0.7
137.05988	6.5
141.06990	0.5
145.10120	0.4
146.10265	0.4
147.04433	1.0
147.11667	0.5
153.01782	1.0
153.06927	0.4
155.04950	0.3
161.05981	0.4
161.13351	0.4
165.05502	2.1
165.07036	1.0
167.03413	75.0
169.06517	0.4
171.11615	0.5
173.05991	3.5
175.11171	0.5
181.06548	0.3
183.08026	0.9
183.64407	0.3
185.04471	1.2
193.05022	0.6
197.05965	0.4
211.07602	0.6
215.06969	1.5
221.10884	0.3
225.09271	0.4
229.08621	0.8
229.14302	0.4
239.11798	2.5
239.90096	0.3
243.06435	0.4
243.10197	1.0
245.10460	1.3
253.04787	0.8
253.08447	0.6
254.10490	0.4
256.07263	0.6
263.11508	1.2
271.06207	7.7
271.09650	100.0
271.24326	1.5
272.09836	0.6
289.09369	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03944	0.4
55.01870	0.4
55.05504	1.2
56.96550	0.6
57.03445	0.3
57.07075	0.4
64.13083	0.3
67.05525	2.2
68.99792	0.5
69.07078	1.8
69.33506	0.5
69.33907	2.0
79.05493	1.2
81.07060	3.3
83.08621	0.9
87.33863	0.3
91.05499	1.7
92.02694	0.4
93.07053	1.6
95.04959	1.4
95.08617	4.9
97.06546	0.4
97.10152	0.5
98.97615	0.5
105.07030	1.1
106.41939	0.3
107.04955	0.4
107.08582	1.6
109.06494	0.5
109.10153	2.2
113.78027	0.3
115.78481	0.3
117.07021	0.4
119.04959	1.8
119.08612	1.5
121.02798	0.3
121.06506	2.0
121.10142	1.1
123.04406	0.3
123.11731	0.4
125.05986	0.4
128.06224	0.4
129.06999	0.4
130.32619	0.3
131.04959	0.5
131.08597	0.4
133.02834	0.6
133.10118	1.1
133.17538	0.3
135.04433	3.4
135.11694	1.1
137.05977	3.7
140.06216	0.4
140.10376	0.3
141.07018	0.4
145.06497	1.7
145.07553	0.3
145.10118	0.8
147.04434	3.4
147.11690	0.7
148.05185	2.0
149.02356	0.4
149.13306	0.5
151.03926	7.1
152.06235	0.4
153.01811	0.9
153.06984	1.5
153.46947	0.3
155.08557	0.6
157.06523	1.2
158.07237	0.5
159.08043	0.7
159.11700	1.0
160.08823	0.7
161.13260	1.6
163.03922	10.1
163.14845	0.5
165.06989	0.8
167.03386	0.6
168.05727	3.0
169.05235	0.4
169.06502	2.0
172.08905	2.0
175.14796	0.5
181.06467	0.8
182.07297	0.9
183.08054	4.1
184.08842	0.5
185.06039	2.6
187.14818	0.7
189.16350	0.5
196.05223	0.8
197.05949	1.9
199.07529	3.5
200.08334	10.3
201.08983	0.4
201.16434	0.6
207.09259	0.4
210.06708	0.7
210.82542	0.3
211.07559	10.6
212.08380	1.9
213.05385	1.5
215.07042	1.8
215.10651	0.9
215.17996	1.0
218.31001	0.3
221.05852	0.3
221.10754	1.0
222.11450	0.5
225.05518	1.1
225.09138	1.3
227.06989	1.9
228.07822	8.1
229.19489	0.5
237.10190	0.4
239.06967	0.4
239.11806	4.4
240.07809	0.9
241.08528	0.3
243.10190	100.0
244.10472	0.6
253.08620	0.4
254.10551	0.5
256.07181	0.5
271.06110	12.7
271.09668	62.4
271.19144	1.3
271.24228	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	271.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42622	0.2
53.03950	0.4
55.01861	0.9
55.05498	0.9
56.96564	0.9
57.03416	0.3
57.07082	0.3
65.03909	0.3
67.01881	0.4
67.05497	0.9
68.99790	1.3
69.03419	0.5
69.07069	1.7
69.36044	2.0
71.01357	0.3
71.04988	0.6
79.05476	0.8
79.26619	0.3
81.07054	1.8
83.04985	0.4
83.08622	0.5
85.02909	0.5
91.05484	2.4
93.07034	0.7
95.04984	0.5
95.08616	1.9
97.02897	0.6
98.97586	1.7
99.04457	0.8
103.05472	6.2
105.03384	0.3
105.07025	1.1
107.04944	0.9
107.08593	0.7
109.02888	0.6
109.10142	0.9
110.27194	0.2
111.04428	1.3
116.98638	0.7
117.06982	0.3
119.04988	0.7
119.08578	0.9
121.02843	0.7
121.06497	0.2
121.10131	0.5
123.11657	0.4
124.01598	1.4
131.04935	10.3
131.08591	0.5
133.10136	0.7
134.03592	0.3
137.02321	0.6
137.06012	0.4
139.03958	0.4
139.11049	0.3
141.07005	0.6
142.09267	0.2
145.10141	0.7
147.11717	0.3
149.02394	0.5
149.13271	0.4
152.01068	2.8
153.01842	1.6
153.07002	0.8
155.04602	0.3
155.08542	0.5
158.99643	0.5
159.11754	0.6
161.13266	0.6
163.03845	0.4
165.05644	0.4
165.07002	1.9
167.03407	100.0
169.06512	0.6
170.02115	2.1
173.06018	0.6
177.00757	0.5
181.06430	0.4
183.08052	1.2
193.06557	0.4
196.11426	0.3
197.05907	0.7
200.08266	0.4
201.16383	0.3
207.09177	0.4
210.06647	0.3
211.07556	1.2
213.05099	0.2
215.07080	2.9
215.18039	0.3
221.10794	0.9
222.11618	0.4
228.07822	0.5
228.10104	0.3
229.08647	0.5
229.10890	0.4
238.06071	0.4
239.11786	3.6
243.06541	1.1
243.10184	2.5
250.09525	0.3
251.10394	1.4
253.04697	0.3
254.10474	0.5
271.06100	14.9
271.09659	66.7
271.24219	2.0
271.64795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Isomedicarpin
Peak:m/z	Relative Intensity
55.01862	0.6
56.96572	0.3
57.22429	0.2
62.17160	0.2
64.49967	0.2
65.03941	0.5
67.05508	3.6
68.99778	0.4
69.54929	1.1
79.05489	0.5
79.84345	0.2
81.07070	0.4
83.55300	0.2
84.19347	0.2
88.07528	0.2
91.05492	0.5
93.07055	0.3
95.04974	5.6
103.05469	0.2
105.07035	0.3
107.04984	0.5
109.06509	0.9
119.04946	0.4
119.08615	0.2
121.06513	0.4
121.10159	0.2
123.04431	100.0
124.04775	0.2
131.04965	0.6
133.01923	0.2
133.06514	0.5
133.10059	0.2
135.04407	0.5
137.05986	9.6
147.04411	8.4
149.05995	0.6
150.89705	0.2
153.01793	0.2
161.05974	2.7
163.03891	1.1
177.05478	0.4
181.55818	0.2
192.44847	0.2
201.09050	0.2
211.07657	0.3
215.07008	0.3
220.01451	0.2
239.11865	0.6
243.10196	0.8
256.07254	0.3
271.06125	2.4
271.09677	9.6
271.24155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03962	0.3
54.16230	0.2
55.01905	0.2
55.05537	0.9
56.55941	0.2
56.96593	0.8
57.03477	0.3
57.07115	0.3
67.01886	0.2
67.05506	1.2
68.99827	0.3
69.07077	1.4
79.05526	0.7
81.03461	0.3
81.07059	2.1
83.08645	0.6
85.02927	0.3
85.06586	0.3
85.52385	0.2
86.77691	0.2
91.05524	0.9
92.02657	0.3
93.07075	1.0
95.04443	0.2
95.04981	1.1
95.08611	2.0
98.97616	0.9
105.07044	1.0
107.04938	1.1
107.08624	1.2
109.06514	0.6
109.10159	1.1
116.98621	0.5
117.07062	0.5
119.04989	0.6
119.08591	1.1
121.02905	0.2
121.06507	2.5
121.10180	0.9
123.04477	0.5
123.08118	0.3
123.11761	0.5
129.07033	0.6
131.00186	0.4
131.04922	0.4
131.08623	0.5
133.02901	0.7
133.10170	0.6
135.04419	3.6
135.11676	0.4
137.05988	3.3
141.07021	0.4
143.08495	0.3
145.06488	1.2
145.10153	0.7
147.04410	0.2
147.11740	0.7
148.05185	2.2
149.02475	0.2
149.13304	0.3
151.03955	0.4
152.06242	0.5
153.01884	0.7
153.07014	1.4
155.08604	0.4
157.06491	1.4
158.07387	0.3
158.99725	0.4
159.08069	1.6
159.11708	0.6
159.54665	0.2
160.08817	0.3
161.05954	0.3
161.13277	0.6
163.03909	10.1
163.14732	0.3
165.07033	1.2
167.03474	0.5
168.05692	3.7
169.06511	2.1
171.08066	0.3
172.08832	2.0
173.13222	0.3
175.14842	0.4
181.06552	0.9
182.07335	0.7
183.08076	3.7
184.08839	0.7
185.05978	2.6
185.09721	0.6
187.07558	0.3
187.14830	0.4
189.00557	0.3
189.16415	0.3
194.09802	0.3
196.05237	1.0
197.05983	2.1
199.07578	2.5
200.08324	10.9
201.05316	0.2
201.16388	0.6
210.06792	0.4
211.07545	11.5
212.08322	2.3
213.05495	1.1
213.08900	0.4
215.07030	1.0
215.10686	1.6
215.17935	0.6
221.10788	0.7
222.11655	0.3
224.09325	0.3
225.05580	1.1
227.07085	1.6
228.07806	10.0
229.05064	0.3
238.59790	0.8
239.06996	0.4
239.11800	2.8
240.07747	0.8
243.10172	100.0
244.10406	0.7
256.06964	0.9
271.06122	8.1
271.09631	58.7
271.24225	3.4
272.09869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
50.01596	0.3
50.16259	0.2
51.02369	0.3
53.03951	0.5
55.01878	0.3
55.05500	0.2
61.24260	0.2
67.05505	0.3
68.99785	1.1
69.07069	0.5
71.04995	0.4
71.56756	0.2
77.03931	0.6
79.05495	0.9
81.07047	1.1
83.08640	0.3
89.17738	0.2
91.05482	2.7
93.07034	0.5
95.04964	0.6
95.08604	0.9
96.02125	1.0
102.04699	0.2
103.05472	48.5
104.05820	0.2
105.03395	0.8
105.07050	0.6
107.01305	0.4
107.04961	0.5
107.08592	0.2
109.10183	0.5
111.04440	4.2
119.08597	0.3
124.01540	0.3
126.03130	0.4
129.07065	0.3
131.04933	95.7
132.05261	0.2
132.86409	0.2
133.02875	0.8
137.05927	0.3
139.03914	0.9
141.07014	1.7
145.10092	0.2
152.01045	3.8
153.01816	0.3
153.06996	0.7
155.08568	0.6
161.13181	0.3
165.05537	0.9
165.07025	2.0
167.03406	36.8
168.05536	0.3
169.06479	2.0
171.08040	0.3
183.08081	1.4
185.04497	0.9
187.14822	0.3
193.05002	0.9
193.06502	0.4
195.08087	0.2
197.05975	3.0
201.09087	1.3
211.07568	4.4
215.07037	1.0
221.06032	0.8
221.10730	0.2
224.04669	0.2
229.05101	0.3
229.08600	5.0
238.06267	0.3
239.07048	4.5
239.11827	1.0
243.06526	0.2
253.08696	0.7
256.07202	0.4
271.06384	3.4
271.09644	100.0
271.24234	0.9
272.10010	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0966
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03947	0.2
55.01878	0.2
67.05499	0.2
70.58929	0.2
70.59240	0.2
79.05495	0.3
81.07060	0.3
83.36859	0.1
91.05518	0.2
92.02629	0.4
94.63287	0.1
95.04969	0.6
95.08606	0.3
97.06607	0.1
97.10156	0.1
107.04929	0.2
121.06495	0.8
123.04396	0.2
124.75066	0.1
128.06248	0.2
129.07007	0.3
133.02835	0.3
135.04420	3.8
137.05991	2.8
140.06183	0.2
141.06995	0.2
145.06499	1.1
148.05225	0.7
152.06203	0.5
153.01869	0.2
153.07036	0.9
155.08607	0.3
157.06485	1.2
158.07210	0.3
159.08073	0.5
160.08847	0.3
163.03906	9.7
165.07031	0.3
168.05696	3.7
169.06476	1.3
170.07314	0.2
171.08060	0.6
172.08856	1.9
181.05083	0.2
181.06508	0.5
182.07274	0.6
183.08052	3.8
184.08873	0.7
185.05989	2.3
185.09541	0.2
186.06848	0.2
187.07510	0.2
196.05232	1.1
197.05998	1.7
198.06709	0.2
199.07536	2.6
200.08331	11.5
201.05498	0.2
206.55206	0.2
210.06749	0.5
211.07542	10.1
212.08301	2.0
213.05495	1.4
215.10699	1.0
225.05478	0.6
225.09010	0.4
227.07008	1.6
228.07808	10.4
239.06932	0.2
239.11775	0.4
240.07869	0.5
241.08571	0.2
243.10170	100.0
244.10632	0.7
256.06857	1.5
271.09634	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	271.0966
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
51.28857	0.3
51.68441	0.3
52.42632	0.3
52.94109	0.3
53.03933	0.4
59.85508	0.3
62.43812	0.3
67.01871	2.4
67.05476	0.3
68.99790	0.7
71.25675	0.5
79.05514	1.8
88.44479	0.3
91.05482	1.6
95.04948	0.3
95.08636	0.3
99.04457	0.6
103.05473	22.9
104.10765	0.8
105.03395	0.5
105.07065	0.4
107.04963	2.2
109.06557	0.5
111.04435	2.1
131.04935	47.1
131.46588	0.3
137.06023	1.6
139.03987	0.3
149.54860	0.4
165.05476	2.9
167.03407	79.4
170.95810	0.3
173.06013	2.7
185.04459	1.0
193.04996	1.1
199.25751	0.3
229.08629	0.7
239.11754	0.6
243.10158	1.9
253.08655	0.4
271.09659	100.0
272.10175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0595
Annotation	Genistein
Peak:m/z	Relative Intensity
55.01870	0.1
55.05499	0.1
56.96555	0.1
65.03950	0.2
67.01871	0.6
68.99786	1.2
69.03431	0.2
71.57201	0.1
76.36999	0.1
79.05490	0.1
81.03410	0.1
81.07054	0.2
87.47805	0.1
89.03918	0.2
91.05485	3.5
95.04952	0.1
95.08597	0.1
97.02896	0.1
98.97591	0.3
103.05443	0.1
105.03373	0.2
105.07049	0.2
107.04941	0.3
109.06529	0.1
111.00809	0.3
115.05452	0.2
117.03374	0.1
117.07033	0.2
118.04220	0.1
119.04944	2.5
119.08637	0.1
121.02873	1.0
121.10100	0.1
125.02425	0.1
127.87515	0.1
128.06171	0.1
129.01854	0.1
129.07034	0.2
131.04918	0.6
131.08540	0.2
133.02841	0.1
133.06522	0.2
135.04416	0.3
137.02333	0.2
137.05975	0.2
141.06981	1.0
144.05711	0.2
145.02852	2.0
145.06503	0.3
147.04379	0.3
147.08043	0.2
149.01152	0.1
149.02353	2.5
150.03133	0.1
152.06192	0.1
153.01834	11.0
153.06973	0.3
155.04961	0.1
155.08553	0.1
157.06511	0.2
159.04430	1.0
159.08055	0.3
161.05992	0.1
163.03976	0.3
165.01883	0.6
165.07011	0.4
168.05693	0.1
169.06497	1.6
171.02931	0.2
173.05957	0.3
175.07585	0.2
177.05492	0.1
181.06456	0.3
183.02881	0.2
183.04460	0.3
183.08067	0.2
185.06024	0.2
187.03954	0.5
187.07547	0.7
191.03349	0.1
197.06009	1.8
198.06596	0.1
200.04694	0.2
201.05515	0.3
203.07077	0.1
211.03960	0.2
211.07584	0.3
213.05524	0.2
215.07042	5.8
219.06450	0.1
220.10265	0.1
221.10776	0.2
222.11470	0.1
225.05479	0.9
227.07045	0.2
229.05002	0.2
239.11795	0.7
239.62367	0.1
242.05823	0.2
243.06543	4.1
243.10342	0.2
247.05977	0.1
253.04984	2.0
254.05733	0.1
256.10461	0.1
271.06018	100.0
272.06268	0.5
293.71576	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	271.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.1
55.01870	0.1
55.05510	0.1
56.82643	0.1
59.34304	0.1
65.03938	0.1
67.01867	1.3
67.05514	0.1
68.26312	0.1
68.99789	0.9
69.03429	0.1
69.07077	0.1
71.57234	0.1
81.03416	0.1
81.07070	0.2
85.02941	0.1
89.03918	0.1
91.01852	0.1
91.05484	1.4
93.07023	0.1
95.08604	0.1
96.08128	0.3
97.02925	0.1
97.06519	0.1
105.07040	0.1
106.06564	0.1
107.04910	0.1
108.08129	0.2
109.02861	0.1
111.00833	0.1
115.05437	0.1
116.01704	0.1
119.04951	4.7
119.08559	0.1
120.08076	0.1
121.02872	1.2
121.06512	0.2
121.08896	0.2
124.07605	0.1
125.02374	0.1
125.05901	0.1
127.00040	0.2
129.01848	0.2
131.04918	0.2
133.10144	0.1
137.02376	0.1
137.06018	0.1
141.07013	0.2
141.19301	0.1
145.02844	1.2
146.06010	0.1
149.02432	0.1
149.73834	0.1
153.01836	10.0
153.06987	0.2
154.06862	0.5
155.04924	0.1
155.08586	0.1
157.06526	0.2
158.02682	0.1
161.05893	0.1
163.03912	0.7
165.07024	0.4
168.05809	0.1
168.10216	0.2
169.06471	0.3
171.02896	0.7
173.05917	0.1
181.06508	0.2
183.08049	0.2
185.05922	0.1
187.03926	0.3
193.06429	0.1
197.05981	0.3
202.06319	0.1
203.07095	0.2
207.09258	0.1
211.07539	0.2
215.06963	0.3
217.12178	0.1
221.10782	0.2
225.05487	0.6
229.04967	0.6
235.13577	0.1
239.11783	0.8
243.06499	0.7
243.10194	0.1
247.06020	0.2
253.02998	0.2
253.05295	0.4
253.10132	0.1
254.10599	0.1
271.06018	100.0
272.06348	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	Genistein
Peak:m/z	Relative Intensity
55.01866	0.3
55.05512	1.1
57.03419	0.8
57.47879	0.2
65.03933	0.4
67.01881	1.0
67.05509	1.5
68.99783	1.3
69.07054	0.8
69.95782	0.6
71.04989	0.2
74.19383	0.2
79.05487	0.7
81.07058	2.3
83.04992	0.2
83.08617	0.5
85.06532	0.2
87.82043	0.2
91.05477	4.1
93.07040	0.4
95.08601	2.7
97.06510	0.6
97.10155	0.3
100.91666	0.2
105.03339	0.2
105.07022	0.7
107.04995	0.2
109.02876	0.2
109.06493	0.3
111.00764	0.3
115.05429	0.3
119.04938	2.3
119.08554	0.6
121.02885	0.9
123.04411	0.4
131.04932	0.7
131.08504	0.2
133.10106	0.5
135.04367	0.3
137.05963	0.3
137.13264	0.3
141.07013	0.9
144.05710	0.2
145.02840	1.7
145.06458	0.6
147.04427	0.3
147.08040	0.3
149.02341	2.6
153.01831	10.5
159.04419	1.2
159.08110	0.4
161.13237	1.1
165.01845	0.8
169.06494	1.5
173.05980	0.3
175.07539	0.2
179.14340	0.3
183.04401	0.3
187.03886	0.3
187.07553	0.7
197.05986	2.5
200.04680	0.3
215.07025	6.3
225.05424	0.7
227.07137	0.2
242.05774	0.3
243.06540	4.4
253.04932	2.3
253.17957	0.2
271.06006	100.0
271.19037	2.3
272.06433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0592
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03944	0.2
55.01873	0.3
55.05498	0.4
56.58185	0.2
56.96556	0.2
65.03937	0.4
67.01863	0.7
67.05489	0.4
68.66719	0.1
68.99799	1.1
69.03427	0.2
69.07051	0.4
71.15108	0.3
73.98516	0.1
79.05472	0.4
81.03410	0.2
81.07066	1.0
83.04948	0.1
89.03934	0.2
91.05480	3.2
93.07053	0.8
95.04981	0.2
95.08603	1.1
97.02917	0.2
98.97578	0.4
99.04449	0.1
105.03357	0.3
105.07019	0.7
107.04948	0.5
107.08599	0.7
109.02875	0.3
109.10114	0.5
111.00803	0.2
112.07476	0.1
115.05450	0.2
117.07045	0.3
119.04946	2.8
119.08572	0.5
119.24079	0.1
121.02863	1.1
121.06494	0.4
121.10135	0.5
123.04430	0.2
123.11674	0.2
131.04953	0.3
131.08575	0.5
133.02747	0.2
133.10118	0.5
135.04488	0.2
137.02353	1.6
137.05963	0.4
141.06961	1.2
145.02855	1.4
145.06464	0.3
145.10130	0.2
147.04405	0.4
147.08063	0.3
147.11673	0.5
149.02339	2.4
149.13237	0.3
152.06259	0.2
153.01837	9.2
153.07047	0.8
155.04851	0.2
155.08531	0.5
157.06444	0.3
159.04492	0.8
159.08066	0.2
159.11726	0.2
161.13281	0.4
163.03911	0.5
165.01897	0.4
165.06998	1.6
168.05743	0.2
169.06476	1.7
171.02956	0.2
173.05997	0.3
173.13338	0.3
175.11266	0.2
175.14833	0.2
181.06485	0.5
183.08063	0.7
187.03926	0.6
187.07527	0.6
187.14786	0.2
197.05997	2.2
200.04761	0.3
201.05386	0.2
201.16365	0.5
211.03896	0.2
211.07483	0.9
212.08250	0.2
213.13013	0.2
215.07048	5.3
215.09128	0.3
215.17955	0.2
217.12315	0.4
221.06061	0.2
225.05457	2.1
226.06354	0.2
227.06958	0.2
229.04941	0.4
235.13354	0.4
239.06960	0.4
239.11821	0.8
243.06526	2.9
253.04948	2.0
271.06018	100.0
271.24188	2.5
272.06415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0603
Annotation	Thunberginol A
Peak:m/z	Relative Intensity
51.62189	0.5
53.03941	1.2
55.01862	1.7
55.05510	6.9
56.04382	0.5
56.96550	1.1
57.03442	4.6
57.07070	1.0
65.03938	1.4
66.16599	0.5
67.05510	11.5
68.99805	3.7
69.03423	1.0
69.07071	7.7
69.69172	3.1
71.04996	2.6
77.93214	0.5
79.05485	6.9
80.30273	0.5
81.03420	1.2
81.06579	0.9
81.07059	17.6
82.78046	0.5
83.04969	1.3
83.08624	4.0
85.02907	0.8
85.06547	2.2
86.81542	0.5
91.05478	7.5
93.07043	7.1
95.01347	0.5
95.04987	1.0
95.08610	18.8
97.02862	0.8
97.06515	2.5
97.10152	1.8
98.97569	2.6
99.08094	1.1
103.05475	1.2
105.07055	4.7
107.04960	6.3
107.08588	4.2
108.00960	0.6
109.02889	2.0
109.06506	0.8
109.10167	4.7
111.08054	0.8
115.05472	0.9
116.98647	0.8
117.07021	1.2
119.04946	3.1
119.08591	5.9
121.02872	4.8
121.06479	0.8
121.10150	4.4
123.08026	0.8
123.11684	1.4
127.03957	0.6
129.07053	0.8
131.04985	2.5
131.08543	3.0
133.02861	2.9
133.06461	0.5
133.10135	5.0
134.03613	2.5
135.04416	0.6
135.11693	3.5
137.02368	1.2
137.05962	1.8
137.09627	0.7
137.13316	1.0
141.07001	6.1
143.08578	0.6
144.05699	0.9
145.06496	1.8
145.10107	1.7
147.04439	3.8
147.08020	3.0
147.11688	1.7
149.02344	12.2
149.05977	0.7
149.13234	0.7
151.03899	0.6
152.06216	1.3
153.01822	2.1
153.05565	0.7
153.07001	3.6
155.04875	0.9
155.06010	0.8
155.08546	2.6
157.06451	0.6
158.99593	0.6
159.08054	2.0
159.11694	2.3
161.06041	0.7
161.13263	6.8
162.13426	0.5
165.07007	7.7
165.09190	0.6
167.03415	0.6
168.05728	1.6
169.06482	8.8
169.07803	0.7
169.10245	0.6
171.11642	0.5
173.01199	0.6
173.05972	3.6
173.13286	1.7
175.14888	1.4
176.04369	0.5
177.05438	0.6
179.14316	1.8
181.06456	1.3
182.07245	0.8
183.08057	4.3
184.05249	0.5
185.06039	1.1
187.03900	0.6
187.07576	2.7
187.14806	1.2
189.12778	0.6
193.06334	1.1
196.05190	0.8
197.05972	11.6
200.04671	1.2
201.05501	1.0
201.16344	1.4
209.06029	0.7
211.07474	5.1
213.05409	1.4
215.07031	100.0
221.05920	1.8
221.10785	2.7
222.11488	0.9
224.09442	0.7
225.05534	0.8
235.20497	0.6
236.91328	0.5
239.07008	0.9
239.11755	9.4
242.05765	3.7
242.09642	0.7
243.06519	31.2
243.10413	1.4
247.08432	0.6
253.04849	0.8
271.06003	60.8
271.09613	13.8
271.14380	1.9
271.19055	13.6
271.24176	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	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03937	4.3
55.01884	2.2
55.05264	1.8
55.05514	20.2
56.96564	5.4
57.03445	17.1
57.07055	3.2
59.33844	1.3
65.03946	3.3
67.05511	79.6
68.56059	1.4
69.03427	1.7
69.07079	24.4
69.51401	1.3
71.04985	5.3
71.08630	1.4
73.31991	1.2
79.05497	45.6
81.03419	1.7
81.07064	100.0
83.04990	8.2
83.08622	20.7
84.96040	1.8
85.02914	1.7
85.06534	5.0
91.05489	39.8
92.40647	1.3
93.07053	81.8
93.42151	1.1
95.04984	7.7
95.08617	30.6
97.06547	22.2
97.10181	2.8
98.20764	2.2
98.97591	8.8
99.08089	6.9
105.07047	17.0
107.08607	34.9
109.06519	7.9
109.10147	8.8
111.08092	8.8
116.98661	2.3
117.07025	18.2
117.62863	1.4
119.08603	8.6
121.06538	2.0
121.10153	14.8
123.08060	3.0
123.11715	4.3
131.08583	25.1
133.10138	21.9
135.08070	1.8
135.11688	16.2
140.98627	1.4
143.08557	2.6
145.10143	5.6
147.11719	5.3
149.13277	38.8
151.11162	4.7
156.09332	1.4
157.10153	7.5
158.99670	1.9
159.11705	52.4
161.13249	7.8
167.14342	2.1
171.11746	3.4
173.01230	2.4
173.13344	2.7
175.14812	3.2
177.12762	31.4
179.14336	5.2
185.13251	1.7
195.13838	16.1
199.14890	1.6
213.14835	3.4
213.16530	3.4
214.08054	1.8
219.09285	1.4
220.35864	1.3
226.06163	1.8
237.10355	3.1
248.08273	2.1
249.08925	1.8
251.16516	3.6
252.08775	1.4
253.04990	2.7
269.04990	2.0
269.08096	15.3
269.17511	81.3
269.22488	21.7
287.10245	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	270.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.6
56.05045	0.4
56.96555	1.1
57.03414	0.5
58.06590	0.7
63.12492	0.4
63.32336	0.4
64.03143	0.5
69.03420	0.7
70.06578	1.4
70.32890	0.8
70.33257	0.8
72.08161	24.0
73.02930	0.5
79.05483	0.6
81.03372	0.4
81.07048	3.3
84.08122	0.4
85.02899	1.3
86.09693	1.1
91.05486	19.7
97.02905	0.5
98.20808	0.4
98.97585	0.9
107.04958	0.9
109.06532	1.5
110.07170	0.5
116.10712	1.2
118.11229	0.4
119.04951	14.4
121.06534	2.0
122.06102	0.5
124.03934	1.9
135.04402	0.5
137.05986	100.0
149.05907	0.4
158.99586	0.5
164.07066	0.8
180.10313	0.5
208.13342	83.3
209.13750	0.5
239.02216	0.6
252.15965	11.5
257.03329	0.9
270.08911	1.2
270.17035	40.4
271.09665	0.7
271.93204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03932	3.7
55.01865	3.2
55.05272	1.3
55.05513	19.2
57.03436	31.5
57.07067	3.6
61.72761	1.0
65.03936	1.6
67.05504	77.3
68.92752	1.1
69.03431	1.2
69.07067	25.1
69.35204	8.6
71.05000	6.8
73.02908	1.1
75.52402	1.1
76.34090	1.0
79.05492	40.5
81.03419	2.1
81.07056	100.0
83.04995	8.4
83.08616	21.6
85.06544	5.8
91.05478	23.5
93.07040	71.0
95.04971	5.5
95.08609	29.5
97.06531	14.4
97.10165	2.7
97.17755	1.1
98.20660	2.2
98.97563	2.8
99.08101	4.8
105.04535	1.1
105.07028	10.6
107.04956	1.3
107.08586	33.6
109.06555	2.4
109.10151	4.6
111.08086	9.2
113.09649	1.1
115.91700	1.2
117.07036	11.4
119.08551	6.1
121.06585	1.3
121.10146	20.2
123.08057	1.6
123.11722	2.5
131.08554	12.1
133.10135	11.8
135.11687	11.3
139.11150	2.9
147.04417	1.9
147.11711	2.4
149.13254	48.5
151.29822	1.1
157.10081	2.0
159.11702	26.0
161.13275	3.5
167.14355	1.4
171.11687	1.4
175.14859	1.5
177.12758	17.6
179.14375	1.8
195.13795	18.1
213.14914	1.3
226.06233	1.3
241.08308	1.3
249.08829	4.1
253.05005	4.9
254.05824	1.5
258.09381	2.7
269.05096	2.3
269.08093	20.1
269.17468	83.7
269.22620	7.6
289.97543	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.65215	1.7
53.03941	3.7
55.01863	2.3
55.05518	18.5
56.10437	1.8
56.96564	3.6
57.03443	23.6
57.07066	6.2
57.53507	2.0
65.03922	2.5
65.19740	1.6
67.05510	73.3
69.07079	26.1
71.04992	4.8
79.05073	2.8
79.05501	41.0
81.03399	2.1
81.07062	100.0
82.07443	1.6
83.04976	9.3
83.08613	16.2
85.02910	2.5
85.06544	7.9
91.05490	26.3
93.07053	74.2
95.04973	7.3
95.08620	30.4
97.06541	20.7
98.20767	8.0
99.08094	7.8
104.99264	3.5
105.07037	11.8
107.04966	2.6
107.08607	32.0
109.06514	4.9
109.10165	6.7
111.04484	2.0
111.08091	12.3
113.06039	2.7
117.07017	16.1
119.08569	6.0
121.06535	1.8
121.10159	18.3
123.11687	3.0
131.08589	16.5
133.10149	18.5
135.11691	16.7
135.77036	1.8
137.05978	2.9
145.27144	1.8
147.04407	2.2
147.11736	2.3
149.09637	2.1
149.13268	48.3
157.10114	2.3
159.11699	36.2
161.13251	5.0
167.14255	3.3
177.12791	23.3
179.14360	7.0
195.13806	20.6
223.65186	1.8
226.06247	7.0
236.64363	1.7
237.10172	9.4
241.08682	7.7
253.05020	2.1
269.08099	27.2
269.13647	3.7
269.17529	82.9
269.22620	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	269.1749
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03938	3.8
55.01862	3.4
55.05262	1.2
55.05513	17.9
56.96557	1.1
57.03438	32.8
57.07059	4.2
63.27355	0.9
65.03928	2.0
67.05505	83.6
69.03409	1.1
69.07071	29.2
71.04993	5.7
71.56786	1.4
73.02918	0.9
77.03956	0.9
79.05494	44.1
81.03434	1.9
81.07058	100.0
83.04985	13.0
83.08613	19.0
85.02890	1.2
85.06557	6.1
91.04907	1.0
91.05482	28.8
93.07046	73.4
95.04985	5.8
95.08607	26.0
95.09160	0.9
97.06533	19.2
97.10145	3.1
99.08124	6.1
104.99249	1.2
105.04536	1.2
105.07031	13.8
107.04972	1.1
107.08595	39.5
109.06497	3.6
109.10165	4.7
111.08098	8.8
111.11739	1.0
117.07004	13.1
119.08579	5.2
121.06511	1.4
121.10144	16.8
123.11709	4.4
125.09602	1.7
127.07574	1.2
131.08565	12.5
133.10130	13.4
135.08055	2.4
135.11702	15.9
139.11211	2.1
143.08595	0.9
145.10117	1.3
147.11726	2.3
149.09625	1.1
149.13261	49.6
151.11171	2.1
157.10104	1.3
159.11699	29.4
159.13017	1.6
161.13257	4.1
167.14270	1.6
173.13300	2.0
177.12755	19.1
179.14299	3.1
185.13252	1.1
195.12080	0.6
195.13803	18.5
213.14726	1.7
213.16528	1.8
219.09311	1.3
220.10271	1.1
226.06108	1.3
233.15213	0.9
237.10291	4.9
241.08565	1.4
252.08984	1.7
256.53433	1.0
269.08011	2.6
269.17480	88.5
269.22559	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	269.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01875	5.0
55.05514	14.5
56.96554	1.4
57.03441	23.2
57.07067	2.4
65.03931	2.5
67.05507	60.6
67.34742	0.9
68.99793	6.1
69.03448	1.3
69.06731	1.2
69.07073	18.7
69.60982	5.5
71.01350	0.8
71.04994	6.7
73.02895	1.0
77.03909	1.3
79.05499	37.9
79.05965	1.9
81.03440	4.4
81.07061	72.4
83.01325	1.8
83.04990	9.5
83.08626	15.3
84.08133	1.4
85.02940	1.0
85.06539	4.3
91.05487	24.8
93.07048	55.3
95.04973	6.2
95.08612	24.0
96.39123	0.8
97.06528	12.4
97.10160	2.5
98.97562	1.0
99.04465	1.5
99.08085	4.9
103.05460	3.3
104.99219	0.9
105.04510	1.9
105.07029	9.7
107.04974	3.7
107.08604	27.0
109.02903	5.3
109.06504	2.5
109.10207	4.0
111.04430	1.0
111.08078	7.4
113.06017	1.0
113.09644	1.1
115.05507	1.2
117.07037	11.1
119.04945	2.0
119.08559	3.7
121.06506	1.4
121.10159	16.9
123.04452	7.9
123.11701	1.7
128.06197	1.5
129.07057	1.3
131.04900	2.8
131.08585	11.2
133.09236	1.3
133.10141	13.0
135.04425	12.9
135.08093	1.3
135.11716	11.4
139.11229	1.3
141.06950	1.3
142.39067	0.8
143.08522	2.7
145.10158	1.5
147.04424	15.1
147.11693	2.0
149.09628	3.4
149.13257	29.5
151.11194	2.2
152.06238	3.4
153.07016	2.3
155.08534	1.1
157.06509	1.3
159.04445	6.3
159.11710	22.1
160.05215	1.3
161.05954	5.9
161.13254	2.5
165.07010	3.0
167.08572	4.0
169.06459	1.1
170.07294	1.8
171.08054	7.9
173.05940	2.5
177.06915	1.5
177.12752	13.1
179.14285	2.0
181.06505	3.1
183.08122	0.9
184.05234	1.8
185.06023	1.7
185.09651	0.8
187.07574	2.4
194.07236	1.0
195.08107	8.2
195.13814	16.4
197.06000	2.4
198.06769	7.8
198.11465	1.0
199.07564	4.6
201.09267	1.1
205.06419	1.0
213.05515	1.5
213.09149	6.5
215.07002	8.4
219.09174	1.3
223.07529	7.8
224.08366	1.6
226.06252	10.4
227.07088	4.6
237.05394	1.2
237.10292	3.3
240.07919	1.5
241.08653	12.1
251.07025	11.2
251.16484	1.5
254.05740	3.9
269.08096	100.0
269.14435	2.5
269.17490	71.3
270.08392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03935	2.7
55.01870	2.4
55.05521	20.0
57.03442	30.8
57.07075	2.5
65.03929	2.3
67.05511	81.4
68.41748	1.0
69.03423	1.3
69.07073	26.9
69.97239	3.3
71.04991	6.6
71.08639	1.2
71.74558	1.1
73.02940	1.2
79.05499	47.5
81.03418	2.0
81.07064	100.0
83.04989	13.4
83.08630	19.7
85.02912	1.3
85.06535	5.3
89.19432	1.0
91.05489	29.6
93.07053	77.1
95.04968	5.8
95.08614	25.7
97.06534	15.4
97.10162	2.1
98.21480	1.8
99.04472	0.9
99.08080	4.9
105.04520	1.7
105.07037	13.4
107.08607	35.3
109.06503	3.1
109.10171	7.1
111.04440	3.5
111.08089	8.8
113.05993	1.3
113.09688	1.6
117.07014	12.6
119.08567	5.3
121.06497	1.7
121.10141	17.4
123.11730	4.7
125.09639	1.3
129.06972	1.2
131.08586	16.4
133.10141	20.5
135.08083	2.4
135.11697	13.1
145.10124	2.4
147.11696	3.7
149.09573	1.5
149.13272	46.5
151.11218	2.4
153.09137	1.7
157.10138	2.3
159.11700	30.1
161.13316	3.8
167.14366	1.7
171.11638	2.4
175.14769	1.2
177.12761	21.0
179.14352	4.2
185.13266	1.8
195.13797	17.7
199.14919	1.4
213.14713	2.0
213.16533	1.4
219.09267	2.4
220.10011	1.2
237.10216	6.1
241.08675	1.8
251.16641	1.6
269.08307	5.1
269.17508	96.3
269.22314	15.9
293.73074	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03932	4.1
55.01863	4.2
55.05269	1.4
55.05518	22.0
56.29192	1.5
57.03439	33.7
57.07064	5.5
65.03925	1.4
67.05510	87.0
69.03413	2.8
69.06730	1.6
69.07074	31.0
69.48331	2.8
69.48737	8.7
71.04996	7.0
71.08631	1.6
75.20074	1.1
75.68988	1.5
77.03939	1.4
79.05498	47.1
80.34945	1.3
81.03403	2.9
81.07062	100.0
83.04988	19.8
83.08630	21.6
85.02903	3.6
85.06556	6.3
91.05482	29.4
93.07051	74.9
95.04996	9.1
95.08062	1.8
95.08618	26.4
97.06548	19.0
97.10197	1.7
99.04426	1.9
99.08117	6.3
105.07036	12.7
107.08600	37.1
109.06522	5.7
109.10174	5.1
111.04442	6.9
111.08108	10.2
113.02269	1.3
115.05444	2.2
117.07040	13.3
119.08585	4.5
121.06489	2.6
121.10149	21.4
123.11720	5.3
125.09611	1.6
131.08586	13.4
133.10146	14.5
135.08064	2.2
135.11694	14.3
139.11230	2.0
147.11661	1.3
149.09639	1.6
149.13269	50.8
151.11180	2.3
157.10112	2.9
158.07986	1.3
159.11707	30.5
165.12796	1.3
171.31485	1.3
177.12773	14.7
179.14238	2.2
185.13252	2.0
195.13805	17.1
202.97678	1.6
217.11351	1.5
237.10342	5.8
251.16560	1.7
252.09109	1.6
269.08154	3.3
269.17487	95.6
269.22604	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	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.66851	1.0
50.72646	0.9
53.03936	3.1
55.01862	3.7
55.05273	1.8
55.05515	20.7
56.96555	2.6
57.03442	27.7
57.07071	3.7
65.03944	2.3
67.05511	73.8
69.03423	2.7
69.07069	27.7
69.36522	7.7
71.05000	5.5
71.08620	1.1
73.02888	1.3
79.05499	42.9
79.05962	2.3
81.03435	3.1
81.07063	100.0
83.04993	9.1
83.08624	19.0
85.02919	1.0
85.06553	6.0
86.09702	1.1
91.05490	30.7
93.07050	73.9
95.04952	7.2
95.08615	27.1
97.06539	16.1
97.10177	2.5
98.20778	1.7
98.97594	6.0
99.04462	2.2
99.08126	4.7
101.63609	1.0
105.04536	1.0
105.07037	13.9
107.08604	33.3
109.06514	3.5
109.10165	7.4
111.08086	9.5
111.11650	1.2
113.06029	1.7
116.98620	2.6
117.07033	12.1
119.08596	8.3
121.06505	2.3
121.10150	20.8
123.08118	1.3
123.11687	5.4
125.09618	1.2
127.07571	1.6
129.06998	1.3
129.53142	1.0
131.08577	13.7
133.10133	18.5
135.08066	2.7
135.11703	15.7
137.05954	1.1
139.11163	2.3
141.90691	1.0
142.07719	1.1
143.08514	2.2
145.10123	4.4
147.11690	3.6
149.13271	45.9
151.11169	2.7
157.10155	4.1
158.99625	1.2
159.11710	34.3
161.13287	6.7
163.11208	1.0
167.14371	1.7
171.11650	2.5
173.01233	1.6
173.13240	2.9
175.14835	1.8
177.12764	19.6
179.14330	3.1
185.13263	2.0
187.14761	1.5
191.02307	1.1
191.14360	1.1
195.13809	17.3
199.14925	2.6
201.00793	1.0
207.12096	1.8
213.14777	2.1
213.16484	3.1
219.09219	2.2
220.09949	1.6
227.18030	1.8
237.10223	8.8
241.08516	1.5
244.99777	1.6
251.16508	1.8
252.08969	2.1
269.04568	1.4
269.08115	5.1
269.12915	3.7
269.17508	83.7
269.22421	19.4
270.05008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1544
Annotation	(+)-Codonopsine
Peak:m/z	Relative Intensity
51.33488	0.3
58.09736	0.3
59.72175	0.3
62.61585	0.3
69.55110	2.0
70.73326	0.3
84.08144	3.6
123.04466	0.7
124.03950	0.7
128.06227	0.6
131.08626	0.3
136.06160	0.7
137.05945	0.5
143.08578	1.9
145.06425	0.3
146.09308	0.3
148.05264	0.3
149.05962	0.5
159.07977	0.7
160.05222	0.9
160.11188	0.9
161.06021	1.8
162.05453	0.6
164.07069	4.0
171.08054	1.9
176.07071	0.5
177.07854	22.7
177.09068	0.9
178.08618	0.5
188.10704	1.9
189.09091	1.8
198.42651	0.3
204.10277	0.5
206.11766	100.0
207.12032	0.4
250.14410	17.6
261.40335	0.3
268.15451	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	268.1545
Annotation	(+)-Codonopsine
Peak:m/z	Relative Intensity
56.62622	0.3
57.89664	0.3
70.70430	0.9
72.91850	0.3
74.02416	0.4
80.32967	0.3
84.04463	1.0
84.08145	4.3
85.02890	0.5
85.04791	0.3
88.03985	0.7
91.05472	0.5
107.04955	2.0
116.03343	0.3
118.24208	0.3
121.06509	3.5
122.06811	2.2
123.04413	0.6
124.03954	2.9
127.03831	0.4
129.66101	0.3
130.04955	0.6
131.08505	0.4
131.88026	0.3
133.06424	0.3
133.75748	0.3
134.04465	1.3
134.05377	0.3
136.06190	34.4
136.90108	0.4
137.05942	1.0
138.09143	0.4
143.08549	1.4
147.04385	0.3
149.05922	0.4
149.09528	0.3
159.08037	1.0
160.05191	0.9
160.11220	1.0
161.06010	2.1
162.05493	1.4
164.07042	2.9
167.07239	0.3
171.08049	1.4
177.07866	20.7
178.08652	0.5
179.10683	0.3
188.10789	1.9
189.09071	1.7
195.10706	0.4
204.10196	0.8
206.11768	100.0
207.12018	0.5
222.09363	0.4
250.14403	18.1
251.11113	0.6
268.10330	6.0
268.15469	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.081
Annotation	Isoformononetin
Peak:m/z	Relative Intensity
53.03948	0.5
55.01880	1.9
55.05496	0.7
56.06365	0.2
56.96560	0.3
57.03433	1.4
62.57315	0.2
65.03928	0.6
67.05508	3.8
68.99795	4.8
69.03419	0.3
69.07065	1.1
70.73126	0.4
71.01348	0.6
77.03935	0.3
79.05500	4.6
81.03417	3.1
81.07063	4.3
83.01350	1.5
83.04990	0.4
83.08621	0.7
85.06541	0.3
91.05488	3.2
93.07048	3.5
95.04957	0.8
95.08610	1.2
97.06528	0.8
98.89821	0.2
103.05470	2.2
105.03384	0.4
105.04481	0.3
105.07040	1.0
107.04966	2.8
107.08583	2.0
109.02880	4.4
111.04443	0.3
111.08092	0.6
115.05456	1.1
117.07028	0.7
119.04971	1.3
119.08557	0.3
121.02877	0.7
121.10150	1.7
123.03564	0.4
123.04438	6.3
126.80146	0.2
128.06242	1.2
129.06999	0.9
131.00156	0.2
131.04915	2.8
131.08559	0.8
132.05675	0.3
133.06558	0.3
133.10139	0.7
135.04419	10.7
135.08017	0.2
135.11740	0.3
137.02324	0.7
141.07002	1.0
142.07787	0.5
143.08539	1.8
145.06451	0.5
145.10098	0.5
147.04417	13.1
148.05205	0.9
149.09601	1.4
149.13277	1.8
152.06203	3.1
153.07025	1.4
154.07780	0.3
155.08487	0.5
157.06494	1.5
157.10110	0.4
158.07277	0.6
159.04419	5.9
159.08022	0.4
159.11732	1.3
160.05165	1.2
161.05994	5.2
165.06984	2.1
166.07776	0.8
167.08594	3.9
169.06502	1.4
170.07318	1.3
171.04460	0.2
171.08066	5.8
173.06007	2.0
173.09630	0.5
175.03893	0.6
176.06212	0.8
177.07008	1.4
177.09129	0.4
177.12741	0.9
178.07753	0.3
179.06059	0.2
179.08592	0.5
181.06485	2.2
182.07275	0.4
183.08034	0.6
184.05209	0.9
185.05962	1.3
185.09605	1.2
186.06775	0.6
187.07550	1.8
194.07262	0.6
195.06264	0.4
195.08069	8.2
195.13869	1.1
197.05998	3.3
198.06787	5.9
199.07538	5.0
201.05479	0.5
201.09111	1.4
205.06500	1.0
208.05243	0.4
209.05991	0.6
209.11874	0.3
210.06783	0.3
211.07475	0.4
212.04713	0.3
212.08319	0.5
213.05783	1.1
213.09129	5.1
215.07022	8.3
221.05794	0.3
222.06841	0.3
223.07536	7.4
224.08362	1.2
225.05418	0.2
226.06256	8.8
227.07048	4.4
237.05507	0.4
237.10175	0.4
240.07825	1.0
240.68158	0.2
241.08606	11.1
251.07047	10.0
252.07791	1.2
253.04985	0.5
254.05702	2.7
264.95734	0.2
267.06796	0.3
269.08090	100.0
269.17416	3.9
270.08490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01866	0.3
55.92559	0.2
57.03438	0.4
69.03419	0.2
69.94810	0.6
69.95246	0.3
75.19837	0.1
83.11005	0.1
84.08151	1.3
85.02912	0.3
91.21915	0.2
94.04051	0.3
95.08648	0.2
106.29069	0.1
115.03838	0.2
119.03551	0.6
121.06512	0.2
133.04982	0.2
136.06192	100.0
137.04588	0.3
137.06618	0.2
177.07838	1.0
194.75244	0.1
206.11781	4.7
209.44713	0.2
250.14362	1.0
268.10419	6.9
268.15210	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	268.1331
Annotation	Assoanine
Peak:m/z	Relative Intensity
58.17802	0.1
69.07065	0.2
77.27670	0.1
82.09481	0.1
91.05475	1.4
97.06528	0.5
98.21458	0.3
115.05499	0.2
119.04906	0.6
124.03944	0.3
130.06454	0.2
137.05994	1.1
151.07555	0.6
152.05704	0.4
161.04637	0.1
162.05508	0.2
165.07019	0.7
166.07782	0.2
166.70329	0.1
167.07249	0.2
167.08519	0.1
167.78038	0.1
168.08130	0.3
176.06964	0.2
177.07843	0.1
178.07750	0.4
179.08582	1.1
180.08025	0.2
180.09401	0.2
181.06447	0.3
182.09674	0.5
183.06813	0.2
184.09488	0.1
188.06981	0.2
189.07019	0.5
189.09032	0.3
190.07761	1.4
191.08542	4.4
192.08070	0.3
193.08875	1.0
194.09674	0.2
196.07556	0.7
196.11171	1.3
197.12015	0.8
206.09650	0.5
206.11475	0.1
207.08081	0.8
207.10419	0.4
208.08958	0.6
208.11188	3.6
210.09126	3.8
211.06221	0.3
213.07722	0.7
218.07310	0.9
219.05922	0.3
219.08046	5.5
220.08945	0.4
221.06303	0.2
221.08371	0.5
222.09076	0.7
223.09891	0.5
224.07135	2.5
224.10687	7.5
225.07855	0.5
225.11467	6.4
226.08626	0.4
228.10101	0.2
229.07483	0.2
229.10921	0.3
233.11685	1.0
234.09142	0.5
235.07532	0.3
235.09930	0.4
236.08319	2.3
236.10701	7.9
237.11436	1.0
238.08621	5.9
238.11050	0.3
238.60716	0.2
239.09238	1.4
240.10155	0.2
250.09081	0.1
250.12265	0.4
250.14522	0.2
251.10562	2.7
251.12991	0.7
252.10202	6.0
253.10976	22.3
254.11362	0.2
266.11749	2.3
267.12601	0.3
268.13309	100.0
269.13641	0.7
286.28369	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03945	1.1
55.01878	1.3
55.05261	0.7
55.05515	9.1
56.71876	0.4
57.03437	4.2
57.07077	1.0
59.04995	0.5
65.03954	1.0
67.05509	25.9
69.03445	0.9
69.07073	12.2
69.92504	0.5
69.92915	1.5
71.04993	2.3
73.06548	0.6
77.01250	0.4
77.03950	0.4
79.05500	14.4
81.03419	1.2
81.07061	71.5
83.04982	6.4
83.08622	6.0
85.06551	4.5
91.05488	19.2
91.06078	0.5
93.07050	9.0
95.04984	2.3
95.05500	0.3
95.08610	21.8
97.06528	5.6
97.10174	0.5
98.97619	0.5
99.08096	3.3
101.06035	0.8
103.05469	0.4
105.07039	26.4
107.04976	0.8
107.08605	8.3
109.06522	3.9
109.10150	1.3
111.04439	0.4
111.08095	1.1
113.06009	1.0
117.07055	0.4
119.08588	20.0
121.10153	12.1
123.08059	2.6
123.10815	0.9
123.11715	17.1
127.07587	1.4
129.06989	0.7
131.08597	1.2
133.10123	3.3
134.54126	0.4
135.11674	0.4
137.09659	0.6
137.12300	0.3
137.13213	1.9
141.09094	1.1
145.10118	0.9
147.11696	42.7
157.10139	1.6
165.12759	18.8
166.13176	0.4
175.11209	1.6
183.13815	1.7
193.12296	0.9
222.22205	0.5
223.22519	4.7
228.50243	0.4
229.14314	1.0
267.15927	100.0
267.25122	5.1
268.16150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03942	0.9
55.01865	1.7
55.05510	8.8
57.03446	3.9
57.07076	0.9
59.05001	0.7
65.03949	1.2
65.39003	0.4
67.05508	26.7
69.03416	0.7
69.07071	12.3
69.68022	0.5
71.04993	2.0
73.06570	0.5
79.05499	17.2
81.03432	1.1
81.07061	73.1
83.04983	5.8
83.08628	6.1
85.06557	3.4
91.05486	19.5
93.07045	9.9
95.04966	3.2
95.08612	20.0
97.06529	5.6
99.04445	0.7
99.08087	3.3
101.06025	1.3
105.07034	24.0
107.04975	0.7
107.08601	7.8
109.06528	3.8
109.10158	1.5
111.08080	1.2
113.06026	0.7
115.07600	0.5
117.07024	0.6
119.08586	19.1
121.10149	12.2
123.08070	3.4
123.11715	17.9
123.12492	0.4
127.07525	2.2
129.07037	1.6
131.08580	1.5
133.10141	3.0
137.13268	1.7
141.09155	0.6
145.10139	0.6
147.11694	45.1
157.10100	2.0
165.12776	18.6
175.11148	1.4
183.13800	1.6
193.12242	1.4
197.28799	0.5
209.11559	0.7
223.22466	0.9
229.14369	0.9
229.59764	0.5
267.06430	1.2
267.15918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1131
Annotation	Miroprofen
Peak:m/z	Relative Intensity
53.58212	0.3
53.78564	0.4
54.08016	0.5
56.07414	0.4
56.56688	0.4
57.84856	0.5
69.03432	0.5
70.57863	1.1
72.08150	0.9
72.94319	0.4
91.05475	1.9
98.97581	0.4
103.05475	0.6
105.07033	0.5
106.06554	1.7
107.07317	0.4
120.08067	0.5
121.06514	1.0
124.03947	1.3
130.06558	3.4
131.06047	1.1
132.06769	0.6
137.22536	0.4
138.09085	0.5
141.07005	0.5
142.04944	0.4
145.07669	0.5
152.06180	0.7
153.07004	0.8
154.06497	0.7
155.07341	0.5
155.08548	0.7
165.07036	1.8
167.07306	3.1
167.08614	1.4
168.06865	0.6
168.08022	2.6
176.07172	0.5
176.10680	0.7
177.11058	1.7
178.07861	0.8
179.05957	0.8
179.08594	2.5
180.08105	4.5
181.07556	1.9
181.08885	4.3
182.08301	0.6
182.09714	3.2
183.09131	1.2
183.10533	2.6
189.06998	1.1
191.07306	1.7
192.08054	1.2
193.07530	3.2
193.09079	0.9
194.09738	12.8
195.09126	4.6
196.11293	3.2
196.16965	0.6
204.08072	2.7
205.09024	3.0
205.10429	2.7
206.09666	8.1
206.11769	3.6
207.09019	12.7
208.09975	21.0
210.09160	1.0
219.09213	0.8
220.10019	0.7
221.10759	15.5
221.12933	0.8
222.11473	5.4
223.12317	100.0
224.12726	0.7
236.12787	0.8
239.11847	0.9
249.10187	0.6
249.13037	1.1
250.14278	0.6
267.11310	37.8
268.15469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1341
Annotation	gamma-glutamyltyramine zwitterion
Peak:m/z	Relative Intensity
56.05030	1.1
66.05697	0.3
70.87386	0.8
74.06068	0.8
84.04508	21.9
85.02930	0.6
91.05492	1.9
93.07046	4.6
100.29456	0.3
102.05554	1.1
103.05473	2.1
121.06509	100.0
124.03958	0.4
130.05006	14.1
138.09143	19.0
138.95900	0.3
166.08685	0.4
172.83911	0.3
177.07864	0.4
177.11076	1.1
195.98709	0.4
204.10211	0.5
205.10556	1.8
206.11739	3.6
221.12871	5.6
226.65508	0.3
249.13226	0.8
250.10764	18.4
267.13419	17.4
268.15546	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	267.1591
Annotation	Clitocybulol C
Peak:m/z	Relative Intensity
53.03939	1.5
55.01873	4.1
55.05510	6.1
57.03441	3.9
57.07074	0.9
67.05509	20.8
69.03427	0.9
69.06720	0.7
69.07072	8.5
71.04990	2.1
71.42649	1.1
79.05499	11.2
81.03436	4.6
81.07063	48.5
81.44613	0.6
83.04998	4.8
83.08621	4.4
85.06541	3.6
91.05485	13.4
93.07047	8.7
95.04971	3.0
95.08614	15.4
97.06540	3.8
97.10162	1.2
98.98462	1.0
99.04495	0.5
99.08091	2.0
101.06050	0.5
105.07034	18.6
107.04925	1.1
107.08604	6.3
109.06523	2.5
109.10158	1.0
111.08087	1.0
119.08595	13.7
121.10152	9.2
123.08087	2.2
123.11713	13.3
127.07571	1.4
129.07013	1.2
133.10120	1.6
137.09512	0.5
137.13251	2.4
145.10100	0.8
147.11699	31.6
149.09633	0.6
157.10132	1.3
165.12761	13.9
175.11241	1.1
183.13792	1.7
187.32523	0.5
193.12350	1.2
219.70811	0.5
267.15924	100.0
268.16104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.6
57.03453	0.5
59.04998	0.6
61.02932	1.7
65.03941	0.6
69.41701	2.0
69.42110	1.4
71.05002	2.6
79.05513	0.4
80.65464	0.4
81.07047	3.1
84.04510	48.4
84.23729	0.4
85.02913	0.6
91.05489	44.2
94.04063	0.8
95.04982	1.1
98.20759	1.0
102.05550	16.2
113.06012	2.4
119.03570	2.1
119.04968	0.6
130.05011	66.3
132.69354	0.5
136.06194	100.0
137.04463	0.4
137.05960	3.6
143.10397	0.4
148.06053	23.1
148.42285	0.4
189.09123	0.9
220.09717	2.7
234.13524	17.8
248.09233	1.3
249.11279	6.5
266.09937	2.3
266.16153	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01863	1.0
55.05508	8.0
56.96560	2.9
57.03434	3.4
57.07064	2.5
59.05004	0.8
60.84550	0.6
65.03951	0.6
67.05508	28.7
69.03427	1.1
69.07065	5.1
71.04976	2.2
71.08635	5.9
71.56635	0.7
79.05067	1.2
79.05499	21.4
81.03429	4.2
81.06580	1.1
81.07058	20.8
83.04964	1.2
83.08620	2.3
85.06542	1.2
86.09708	2.1
87.04453	1.3
88.03980	1.7
88.11274	29.5
91.04965	1.2
91.05482	13.4
93.07043	11.4
95.04983	3.7
95.08611	39.0
97.06516	0.9
97.10149	0.8
98.97577	1.5
99.08085	0.7
102.05569	3.2
105.07033	10.5
107.08596	26.9
109.06523	3.0
109.10159	20.8
111.08067	1.0
117.07051	1.2
119.08581	15.2
121.06577	0.8
121.10162	3.5
123.08092	3.8
130.36223	0.7
133.10144	5.4
135.11693	3.5
137.09596	5.2
137.13190	0.7
145.05228	0.7
147.04420	0.8
148.06042	2.2
149.13260	14.4
151.14827	8.0
161.13275	7.7
165.06996	1.1
168.17496	8.8
176.10728	0.9
179.08575	1.2
179.14319	6.5
190.07826	0.9
191.08559	4.7
192.06425	0.7
192.08008	1.1
193.08865	1.5
196.16971	2.4
204.10278	1.1
206.09737	0.9
207.08153	1.0
208.07585	0.7
208.11226	7.0
213.07832	0.8
215.80893	0.6
219.08099	4.6
221.05180	0.7
221.08360	0.8
222.22221	0.8
231.08380	0.6
236.10756	4.8
237.07838	3.8
243.09050	2.6
243.33794	0.6
248.13078	0.8
249.09131	3.9
250.08693	2.0
251.09451	4.8
261.10266	1.3
264.10178	3.2
266.11780	74.1
266.24796	100.0
275.20486	0.8
285.10062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2482
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
55.05528	0.3
62.23522	0.3
67.05520	0.5
69.07053	0.6
70.06604	0.5
70.80606	0.8
71.08642	2.2
79.05486	0.5
80.05048	0.4
81.07068	1.8
84.08141	0.7
86.09708	0.9
91.05467	0.4
93.07032	0.9
95.08621	1.7
96.08128	0.7
98.06018	0.5
98.09714	0.4
98.97601	0.4
110.09708	0.5
112.07584	0.9
112.11270	0.4
121.49570	0.3
122.09679	0.9
123.10450	0.6
123.11707	0.7
124.11234	1.0
136.11183	1.4
137.12000	1.0
137.13191	0.8
138.12732	0.4
150.12781	6.4
152.14323	3.0
158.50841	0.3
160.44238	0.4
164.14331	1.3
165.15112	0.4
166.15933	10.2
168.13850	3.2
168.17480	1.4
178.15904	3.2
179.16708	0.4
180.17509	1.1
191.08563	0.4
192.17485	5.4
193.18254	1.4
194.19052	0.7
208.11243	0.8
210.18520	0.4
219.08101	0.4
220.20653	1.6
222.22177	100.0
224.23642	0.6
249.09291	0.4
250.08469	0.4
251.09341	0.3
254.16470	0.3
266.11786	7.0
266.24799	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24279	0.1
72.47639	0.1
78.78705	0.1
78.86887	0.1
79.05476	0.2
80.38556	0.1
91.05484	1.7
93.07069	0.1
103.05447	0.3
104.05037	0.1
105.07026	0.2
106.06550	0.2
115.05465	0.2
116.04192	0.1
119.04943	0.5
130.06523	0.2
131.04938	0.1
135.04419	0.1
143.04884	0.1
144.04544	0.1
145.05208	0.5
147.04404	0.2
149.05994	1.0
152.06210	0.1
153.07013	0.1
159.04437	0.2
164.53151	0.1
165.06999	1.3
166.07803	0.3
167.07330	0.2
167.08606	0.3
168.08134	0.1
174.05556	0.6
175.06293	1.2
178.07773	0.6
179.07237	0.2
179.08575	1.2
180.07909	0.5
181.10104	0.2
187.06285	0.3
188.07146	0.1
189.07042	0.4
190.07768	0.9
191.08559	6.7
192.08041	0.9
193.06445	0.5
193.08839	2.2
194.07404	0.2
194.09674	0.2
196.07715	0.2
200.07060	0.3
201.06987	0.2
202.07755	0.2
203.08603	0.2
204.08092	0.2
206.09645	1.4
207.08063	1.3
207.10388	0.4
208.07710	0.4
208.11221	10.3
209.06184	0.1
209.08243	0.2
211.06264	0.6
213.07861	0.5
218.07320	0.3
218.09608	0.2
219.08057	4.5
220.07677	0.3
221.08244	0.8
222.09119	0.4
223.07559	0.6
223.09782	0.2
224.06993	1.2
225.07896	0.2
226.08681	0.5
227.09357	0.4
229.07639	0.3
231.07846	0.1
234.09142	0.8
235.09906	0.3
236.07208	1.1
236.10704	8.4
237.07820	5.1
238.08521	0.6
238.12196	0.2
249.09148	4.0
250.08615	2.4
251.09415	5.0
264.10214	4.9
264.13080	0.2
265.10971	0.6
266.11755	100.0
267.12054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1177
Annotation	(-)-Annonaine
Peak:m/z	Relative Intensity
51.11477	0.1
54.37458	0.1
62.12894	0.1
70.02171	0.3
79.05479	0.1
81.57560	0.1
91.05485	1.4
91.73646	0.1
93.66772	0.1
103.05453	0.2
105.07049	0.2
106.06518	0.2
115.05449	0.2
116.04990	0.2
117.05726	0.2
119.04974	0.6
130.06500	0.3
131.04916	0.2
135.04420	0.1
142.06567	0.1
143.04916	0.1
144.04414	0.1
145.05238	0.5
147.04381	0.2
149.05972	1.0
153.06956	0.1
159.04451	0.1
165.07005	1.3
166.07776	0.3
167.07271	0.3
167.08611	0.3
174.05551	0.7
175.04868	0.2
175.06277	1.2
178.06416	0.2
178.07780	0.6
179.07271	0.3
179.08571	1.4
180.08069	0.6
180.76088	0.1
181.06393	0.1
187.06268	0.4
189.07028	0.3
190.07814	1.1
191.08565	6.5
192.08067	1.0
193.06380	0.5
193.08830	2.5
194.07318	0.2
194.09608	0.2
196.07666	0.1
200.07085	0.2
201.06972	0.2
202.07806	0.2
203.08565	0.2
204.08116	0.2
206.09668	1.7
207.08086	1.3
207.10449	0.5
208.07597	0.6
208.11226	9.8
209.08394	0.1
210.12772	0.1
211.06308	0.5
213.07869	0.5
218.09674	0.2
219.08078	4.6
220.07610	0.4
221.08260	1.0
222.09174	0.4
223.07535	0.7
223.09630	0.2
224.07045	1.3
225.07848	0.1
226.08688	0.5
227.09430	0.6
229.07611	0.3
231.08122	0.3
234.09093	1.0
235.09952	0.3
236.07224	0.9
236.10712	8.5
237.07828	5.5
238.08536	0.7
238.12312	0.2
249.09166	4.0
250.08646	2.9
251.09412	4.9
264.10205	5.0
265.10953	0.7
266.11765	100.0
267.12177	0.7
278.21820	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	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71835	0.1
58.19954	0.1
60.97038	0.1
70.35932	0.3
82.99819	0.8
98.97801	0.1
101.00888	5.7
102.00965	0.2
105.01810	0.1
116.28139	0.1
116.98856	0.4
119.01926	7.3
120.02007	0.2
122.97864	0.2
134.99918	0.4
137.02913	0.6
139.14713	0.1
140.98839	1.4
141.52057	0.1
153.00960	0.2
158.99905	4.2
165.99626	0.3
175.03001	0.3
177.00963	16.7
178.01135	0.2
179.01436	0.2
182.99875	1.4
183.01442	0.2
195.02107	0.1
199.03096	0.3
200.02626	0.2
201.00916	3.9
201.02379	0.3
202.00845	0.1
215.99881	0.1
217.04097	3.2
219.02019	21.6
219.94579	0.4
220.02112	0.5
225.00806	2.4
234.00664	0.4
236.61642	0.1
242.03645	0.2
242.96149	0.3
243.00212	0.3
243.01996	14.3
261.03067	100.0
262.03262	1.2
263.03601	0.4
266.00961	0.1
266.03555	0.5
266.07953	0.3
275.04819	0.1
280.50287	0.1
284.04657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97445	0.5
60.04525	10.7
63.68999	0.4
65.03934	1.0
69.44363	3.9
70.02950	5.2
71.43713	0.5
88.03992	57.2
89.87543	0.5
91.05481	83.9
102.05542	100.0
113.02377	0.7
117.53663	0.4
119.05011	0.7
130.04999	1.3
146.06001	3.1
148.06047	60.4
174.05540	0.7
179.08684	0.7
191.08606	2.9
192.08122	0.6
193.08873	1.7
206.08063	2.9
206.09792	0.7
208.11215	5.6
219.08128	2.3
220.09679	9.4
221.08234	0.6
224.07068	0.8
227.09322	0.7
234.07608	2.2
236.10712	4.4
237.07758	2.5
248.09076	2.6
249.09225	1.8
250.08759	1.3
251.09389	2.0
264.10275	1.8
266.11813	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	266.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	2.1
59.05009	0.7
59.75155	0.4
61.02930	1.1
65.03940	0.9
69.68192	1.6
69.68614	1.3
71.04993	0.9
77.99672	0.5
81.07044	2.2
84.04508	76.1
85.02905	1.2
91.05486	75.3
94.04063	0.8
98.20719	0.5
98.97575	0.6
99.33514	0.5
100.42859	0.5
102.05547	25.6
112.91118	0.4
119.03549	1.4
129.79799	0.5
130.05011	100.0
136.06195	60.9
148.06056	37.7
148.07289	0.6
171.98897	0.5
177.05614	0.5
219.44295	0.5
220.09735	3.4
234.13498	10.8
234.15742	0.9
248.09288	1.4
266.10220	2.9
266.11780	1.4
266.16132	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	265.1548
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
55.76351	0.3
56.96576	0.4
58.06603	0.4
70.06575	0.3
70.83156	0.6
71.04178	0.3
72.08155	6.5
81.00942	0.4
85.02915	0.4
89.03908	2.7
89.10336	0.4
89.10799	4.9
90.02244	0.4
91.05457	0.9
98.06042	0.6
100.80949	0.3
115.08707	1.8
117.03389	14.7
122.07125	0.4
134.03616	1.2
135.04352	0.6
135.08060	0.5
145.02850	54.1
149.05983	6.8
159.08096	0.5
163.03920	0.4
165.09081	0.4
177.05476	100.0
178.05779	0.5
186.05553	0.6
248.12840	7.9
265.15491	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	265.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.2
56.96562	0.4
62.08270	0.2
69.07063	0.3
69.74659	1.1
70.06596	0.3
72.08158	18.3
73.32342	0.2
76.60922	0.2
81.03421	0.3
84.08163	0.3
86.09708	0.8
89.03916	5.3
89.10786	1.2
91.05492	1.2
98.06042	0.5
98.21514	0.3
98.97588	1.1
102.05559	0.3
106.04207	0.4
110.97611	0.3
115.08698	1.0
117.03384	10.1
119.04952	0.5
120.08113	2.4
121.02872	0.5
121.06485	0.3
122.07143	0.7
131.04951	0.3
134.03618	1.7
135.04430	3.3
137.05981	0.3
145.02849	9.0
147.04442	0.9
148.04872	0.3
149.05988	9.8
151.07469	0.2
162.03177	0.5
163.03912	11.9
166.08644	1.9
177.05475	100.0
178.05800	0.3
179.52094	0.2
183.03110	0.4
183.53242	0.2
189.48511	0.3
190.09393	0.3
200.37897	0.3
205.06540	0.5
223.09764	0.4
248.12830	8.3
251.09459	0.4
265.08536	0.8
265.15469	23.9
266.11868	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
55.05261	2.4
55.05511	28.7
56.96556	1.9
57.03403	1.5
57.07078	14.9
59.05003	1.5
67.05504	28.2
69.07071	60.6
69.29955	11.6
71.04984	3.9
71.08632	4.9
79.05490	12.6
81.07057	83.1
83.04985	2.2
83.08621	32.5
85.06546	3.4
85.10168	1.8
91.05479	5.4
93.07048	28.0
95.05013	1.9
95.08610	100.0
97.06516	1.8
97.10167	18.9
99.08105	4.8
105.07019	4.3
107.08598	25.2
109.10161	57.3
111.08061	1.7
111.11713	11.5
113.09637	3.6
119.05958	1.5
119.08606	2.7
121.10151	38.3
122.07140	7.1
123.11704	26.2
125.09681	1.5
125.13235	3.7
127.11188	1.9
135.11685	24.9
137.05983	2.4
137.13261	20.6
139.11142	3.0
145.10129	1.6
149.13249	13.3
151.14821	7.9
163.14818	15.9
165.16403	6.2
177.16385	7.9
187.11168	1.8
191.17955	12.5
207.21071	1.7
224.85139	1.3
247.16966	1.2
247.24208	37.9
265.08231	1.7
265.10513	2.4
265.17981	3.9
265.25302	19.0
266.11810	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	265.1548
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
53.03942	0.3
55.05499	0.5
56.96557	0.8
67.05510	0.4
69.03421	0.7
69.07063	0.3
69.56477	1.0
69.56887	1.0
70.06577	1.2
72.08157	25.6
79.05458	0.3
81.03400	0.4
81.07056	0.4
84.08137	0.7
84.96008	0.3
85.02893	0.8
86.09698	0.5
89.03918	4.7
89.10795	11.6
91.05457	0.5
93.07034	0.6
95.04926	0.3
97.02887	1.0
98.06056	0.9
98.62719	0.3
98.97572	1.1
103.05495	0.6
110.97574	0.5
113.01776	0.3
114.09233	0.4
114.78429	0.3
115.08701	2.2
116.98654	0.3
117.03384	19.9
119.04987	0.5
121.02902	0.6
121.06509	0.7
122.07130	1.4
133.10132	0.3
134.03595	1.4
135.04431	1.5
137.02287	0.3
137.05946	0.4
140.68044	0.3
144.04826	0.4
145.02849	58.3
147.04379	0.7
149.05986	7.2
158.99561	0.3
159.08075	0.4
161.06018	0.3
163.03856	0.8
176.10687	0.8
177.05473	100.0
186.05518	0.6
194.97360	0.8
203.10564	0.5
204.10233	0.9
212.98357	0.3
219.01700	0.3
221.10793	0.7
229.00249	0.5
244.04134	0.6
247.04993	0.4
247.09535	0.4
248.12849	6.0
248.15314	0.2
265.15494	21.8
266.13654	0.4
281.12180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13932	0.7
55.01887	3.7
57.03424	0.9
65.06237	0.6
65.63631	0.6
67.05508	1.6
69.07069	11.7
70.03790	2.3
79.05492	12.1
81.07055	0.7
90.02515	0.6
91.05479	15.7
94.77586	0.7
95.04974	0.8
97.06532	100.0
109.06541	0.8
119.04955	11.1
128.04968	3.4
133.06519	1.8
134.06119	0.8
135.04431	2.6
137.05981	75.2
145.06476	1.4
147.04414	5.3
149.05951	2.3
156.04465	4.5
157.86151	0.6
163.07605	1.5
164.07080	2.0
172.04018	1.0
177.09164	1.1
178.08659	6.6
179.08612	0.9
186.05486	3.1
189.07127	1.7
189.09088	11.5
191.07275	3.7
192.10136	0.8
205.08882	1.6
205.12335	0.7
206.09671	12.0
206.11549	0.9
214.23033	0.7
214.26891	0.7
215.10712	2.7
216.08115	0.9
217.06544	1.4
220.07578	0.9
233.11726	92.3
234.09152	7.4
235.09775	0.8
247.13329	2.2
248.07054	6.8
249.07860	5.5
262.06216	0.9
262.08588	4.6
263.09250	1.4
264.10205	77.8
264.15945	78.6
265.10678	0.8
267.44360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01878	2.1
56.52431	0.3
57.03431	1.0
62.32974	0.4
67.05505	1.3
68.63663	0.4
69.03419	1.0
69.07076	10.6
70.46818	0.6
70.47202	0.5
79.05063	0.6
79.05502	9.0
87.92031	0.3
89.01871	0.3
90.31345	0.4
91.05487	10.0
93.82165	0.3
95.04974	0.5
97.06540	100.0
107.04971	0.8
107.14836	0.3
109.06549	0.6
119.04960	6.5
128.04970	0.4
131.04900	0.7
131.08566	0.3
133.06479	0.9
133.19688	0.3
135.04425	2.4
135.08006	0.5
137.05989	55.8
145.06454	0.4
147.04422	7.6
148.05170	0.6
149.05983	1.9
156.04483	0.4
157.39177	0.3
161.06046	0.4
161.09668	0.4
163.07570	0.6
164.07140	0.4
177.09125	1.5
178.08572	0.6
186.05467	0.7
189.07402	0.5
189.09114	11.1
191.07304	0.5
191.10696	0.4
205.08891	0.5
205.12221	0.6
206.09743	1.9
215.10674	1.4
217.06601	0.6
217.08623	0.4
233.11739	52.8
234.09184	1.3
235.07645	0.5
235.09985	0.5
235.13286	1.1
248.07140	1.5
249.07797	0.7
262.08829	0.8
264.10229	16.4
264.15967	71.3
265.12415	0.9
265.16284	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03954	2.1
55.05511	4.6
57.03435	2.6
65.03938	3.3
67.05503	11.3
69.03427	14.4
69.07063	2.6
69.62801	9.5
70.06593	3.3
71.04997	3.7
72.08160	17.0
79.05505	9.7
81.03406	2.5
81.07060	6.8
83.04987	2.5
84.04514	7.7
84.08201	1.4
84.96684	1.4
85.02917	3.6
86.09679	2.6
87.44231	1.4
89.03932	3.9
89.10818	5.8
91.05482	27.5
93.07047	15.6
95.04967	20.2
95.08621	7.1
97.02882	2.7
97.06563	2.7
98.97590	3.9
99.04449	3.2
103.05476	2.3
105.07037	24.3
107.04969	2.8
107.08594	8.0
109.02895	1.9
109.06519	13.3
109.10155	3.1
111.04447	13.1
111.08082	3.6
113.05998	8.5
115.05485	4.2
116.98578	2.0
117.03384	17.5
117.07035	6.7
118.06553	14.9
119.04929	6.8
119.08586	36.4
120.08113	22.6
121.02876	8.9
121.06495	18.9
121.10139	6.3
122.07172	6.1
123.08081	10.4
128.06204	2.3
129.07001	8.5
130.04976	2.4
130.07758	2.8
131.08578	18.2
133.06499	3.9
133.10152	6.5
135.04485	2.4
135.08055	30.6
136.07584	18.7
137.09630	4.1
139.03932	4.1
139.07520	4.0
140.21190	1.4
141.07008	4.1
142.07799	4.2
143.08572	7.4
144.05756	2.5
144.09283	2.1
145.02844	50.0
145.06496	5.9
145.10139	9.5
146.07225	2.4
147.04414	1.9
147.08043	16.8
147.11705	6.6
149.06018	8.2
149.09619	5.6
149.77135	1.4
151.07542	3.4
155.08606	3.1
156.09306	3.2
157.06573	2.0
157.10112	10.8
158.07295	7.0
158.10931	2.5
159.08066	15.6
159.11710	16.8
161.05957	3.7
161.09605	19.6
161.13306	2.6
163.03931	2.0
165.09119	14.2
167.08557	2.1
168.09351	3.1
169.10204	1.7
171.08084	3.4
171.11716	5.2
172.08830	8.2
173.06017	1.8
173.09677	8.1
173.13232	9.1
174.09039	2.2
175.06157	1.5
175.07573	32.1
175.11156	15.1
177.05475	100.0
182.71709	1.4
183.11696	5.0
185.09590	2.4
186.10300	2.8
187.07581	1.7
187.11200	19.2
189.09120	5.2
189.12665	7.0
193.08641	8.7
193.10184	2.2
196.08920	3.3
199.11160	7.4
201.12755	14.4
202.09441	2.6
203.10664	22.2
205.12294	3.5
207.10120	1.9
211.11206	8.8
217.12257	11.0
219.13837	4.3
229.12224	15.2
235.04034	1.5
235.13348	4.0
247.13301	25.9
248.09918	8.7
248.12825	9.0
265.12659	7.7
265.15445	24.3
283.98364	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92092	0.5
53.03935	0.8
55.01886	2.7
57.03421	0.8
59.77459	0.6
67.05495	1.3
69.03427	1.0
69.07065	8.8
69.22267	5.5
69.22582	1.2
79.05502	11.8
81.07078	1.0
86.16623	0.6
91.05483	11.8
91.06022	1.0
91.42486	0.5
94.50106	0.5
97.06538	100.0
105.06997	0.6
107.04948	1.6
116.66882	0.5
119.04946	9.6
121.06544	0.9
123.04420	0.7
133.06500	1.9
135.04416	2.4
137.05984	73.0
137.22119	0.6
147.04408	4.7
147.08008	0.7
149.06017	1.5
159.08130	0.7
160.05205	0.5
161.09618	1.9
177.09102	2.1
187.07457	0.7
189.09131	11.3
202.46581	0.6
202.73528	0.6
203.10765	0.9
203.48935	0.6
206.11867	1.0
215.10664	5.0
232.13263	0.8
233.11740	51.3
235.13307	1.1
237.00380	0.5
247.13342	9.6
264.10046	2.0
264.15964	71.3
274.32272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82072	1.0
53.03925	2.5
55.01863	1.5
55.05513	14.3
57.03430	1.5
57.07073	12.3
57.39918	1.1
62.66673	0.9
65.03935	2.5
67.05508	84.9
69.07070	16.2
71.04972	1.7
71.08629	5.9
79.05497	23.1
81.07059	100.0
83.04971	2.6
83.08620	12.4
83.70006	1.2
84.48699	1.1
85.06555	4.9
85.10166	4.0
91.05483	17.2
93.07042	22.9
95.04957	1.2
95.08611	80.3
97.06516	9.9
97.10167	7.3
99.08087	5.8
104.99292	11.4
105.07034	11.0
107.08589	16.2
109.06503	1.9
109.10160	42.5
111.08074	5.6
111.11709	1.2
113.09648	2.4
113.26432	1.0
119.08580	12.8
121.09318	1.4
121.10152	19.3
123.08089	2.9
123.11709	21.5
127.11234	1.6
133.10133	16.8
135.11710	10.2
137.09616	2.4
137.13284	6.8
141.12720	2.6
147.11693	11.3
149.13240	10.4
151.11185	1.8
151.14796	8.2
155.14284	1.6
161.13271	12.6
163.14809	9.2
164.91888	1.0
165.16409	10.1
167.14345	1.4
175.14853	9.4
177.16423	2.4
179.17949	4.5
181.15874	1.6
189.05568	1.2
189.16434	5.2
193.15939	1.0
245.22670	37.4
261.18082	1.1
263.20303	3.5
263.23712	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1233
Annotation	Acanthomine A
Peak:m/z	Relative Intensity
50.03799	0.5
52.13845	0.5
53.03905	0.6
55.01830	0.8
55.05470	1.1
56.96500	2.2
57.03385	3.5
58.06572	0.6
60.04460	0.7
67.05446	0.6
69.03371	1.7
69.07021	0.6
69.41521	1.4
69.41929	2.6
70.06532	1.7
71.04922	0.8
72.08109	1.0
73.02866	0.7
81.03378	1.1
81.07001	0.8
83.04942	1.0
84.04459	0.9
84.08075	2.0
85.02921	4.4
86.09654	0.8
87.04474	3.6
88.04747	2.1
88.32836	0.5
91.05491	4.8
93.03339	0.5
93.06992	2.1
95.04885	0.6
97.02809	1.7
98.97598	3.2
102.05492	0.9
103.05415	1.4
105.06954	2.2
105.07585	0.6
107.04881	0.6
109.06471	0.7
110.07099	0.5
111.04391	0.6
115.05442	3.2
116.13705	0.5
116.98540	1.5
117.06963	1.8
119.01796	0.6
119.04890	1.8
119.08561	0.8
120.08045	0.9
121.06494	0.5
123.04438	5.5
125.09529	0.5
127.03848	0.5
128.06200	1.2
129.07031	5.0
131.04874	2.3
131.08524	1.2
133.06432	1.6
134.09660	4.9
135.04451	0.7
137.05991	4.3
141.06920	1.5
142.07791	4.5
143.04942	3.1
144.05698	1.1
144.08012	0.9
145.06436	2.0
145.10072	2.1
146.99594	0.7
147.04416	5.2
147.07939	0.6
149.05989	2.5
150.05504	0.6
151.07451	0.8
153.06973	2.4
154.07771	0.6
155.08562	14.1
157.06461	2.0
157.08888	0.8
157.10077	2.4
158.99623	1.1
159.08052	1.0
160.05182	3.5
161.04622	1.0
161.05983	19.9
162.03111	0.5
162.06773	0.7
163.03983	3.0
163.07518	1.0
164.07074	10.7
165.06949	2.2
168.05623	1.9
169.06427	0.5
170.07254	2.0
173.06009	6.9
173.09650	3.5
174.06789	5.4
175.06064	0.8
175.07544	11.4
177.05435	2.1
177.09029	0.7
183.08043	14.6
184.11198	1.0
185.09615	8.8
185.11972	0.9
186.06717	2.2
186.12737	2.6
187.03911	1.4
187.07529	2.1
188.08334	1.4
189.05479	4.9
189.09056	0.6
190.08620	1.0
191.03432	2.6
191.10722	2.4
192.03694	0.8
192.10149	1.1
194.05092	0.5
201.09119	32.7
203.07092	0.8
203.10712	3.9
205.04898	3.3
206.11736	1.1
207.03610	0.7
211.07524	8.4
214.06325	0.6
214.12303	1.5
215.10435	0.6
216.04153	1.2
218.11774	2.2
219.01711	0.8
219.10165	10.5
229.08618	8.3
232.09637	0.6
232.13358	1.9
237.02930	0.9
246.11246	2.7
247.09673	77.4
264.12341	100.0
264.15765	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	262.1805
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
55.21582	0.3
57.07071	0.9
57.90377	0.2
59.10693	0.2
69.03445	0.4
69.32644	0.4
69.33054	1.6
70.06605	1.3
71.08643	0.5
81.07056	0.2
84.08134	0.2
87.04475	24.4
88.07634	1.5
91.05499	0.4
114.05576	0.2
114.09148	0.6
116.07042	0.2
116.29229	0.3
118.06548	9.1
132.08098	3.0
132.09087	0.3
132.09256	0.3
132.10205	2.4
133.08893	1.5
134.09642	0.6
137.05959	0.3
146.09659	3.4
147.10506	0.5
148.11295	0.3
150.11261	1.4
176.14355	63.0
203.19252	0.2
216.12134	0.3
218.11674	0.3
218.21100	0.8
262.18036	100.0
262.23828	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	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97097	4.8
69.84412	24.2
88.61952	4.8
92.15363	4.9
98.21447	7.4
176.75549	6.1
179.89981	4.8
181.08676	4.8
203.04120	5.3
262.98901	6.6
263.01678	100.0
263.05334	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03937	1.8
55.01865	1.1
55.05511	15.0
57.03430	1.9
57.07078	9.2
65.03926	3.2
66.15791	0.8
67.05507	82.6
69.06727	1.3
69.07072	15.9
69.30782	0.8
71.04980	1.8
71.08636	6.8
79.05495	21.6
79.61613	0.8
81.07062	100.0
83.04986	1.4
83.08148	1.2
83.08625	14.2
85.06537	3.2
85.10182	2.9
86.35015	0.8
91.05491	16.9
93.07054	23.2
95.04965	1.7
95.08611	85.3
96.98184	0.8
97.06543	6.0
97.10168	7.5
99.08091	5.2
104.99274	8.7
105.07036	13.1
105.31601	1.0
107.08592	14.6
109.06534	1.1
109.10164	45.1
111.08089	4.4
113.09644	3.4
119.08578	14.2
121.10145	16.6
121.51726	0.8
123.08038	1.7
123.11708	22.0
125.09609	2.7
127.11219	1.4
133.10149	14.6
135.11687	8.7
137.09654	2.0
137.13261	6.9
141.12723	2.5
142.92995	0.8
146.72989	0.9
147.11693	10.9
149.13252	8.5
151.14801	8.8
155.14296	2.4
161.13268	10.0
163.14830	7.9
165.16386	11.7
175.14839	8.3
177.16475	1.9
179.18007	4.8
181.15781	1.6
189.16422	3.0
193.15985	1.0
203.17915	2.0
217.19563	2.1
222.54221	1.0
229.65263	0.9
245.20036	1.1
245.22664	37.7
263.23709	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.4
55.01855	0.5
55.05516	8.4
56.96550	0.7
57.03421	1.4
57.07074	3.1
65.03934	1.3
67.05508	28.5
69.03443	0.4
69.06733	0.6
69.07074	9.1
69.17375	0.4
69.51310	2.7
69.51714	0.9
71.04982	1.6
71.08635	0.9
77.03901	0.8
79.05499	37.4
81.07063	33.4
83.08627	5.0
85.06547	3.0
85.10214	0.5
91.05482	20.3
93.07050	52.7
95.04983	2.7
95.08614	24.3
95.09104	0.4
95.09240	0.7
97.06538	2.4
97.10165	1.7
98.97564	0.6
99.08102	3.0
105.07036	14.4
107.08603	34.1
109.06509	1.6
109.10162	11.2
111.08094	1.7
113.09666	0.8
116.41470	0.4
116.68799	0.4
116.98681	0.6
117.07030	4.2
119.08591	11.1
121.10150	32.8
123.08026	1.1
123.11712	3.9
125.09647	1.1
131.08572	11.5
133.10138	9.2
135.11699	28.1
137.09631	1.7
137.13260	1.2
139.11189	0.7
145.10136	10.3
147.11690	9.3
147.81258	0.5
149.09657	0.5
149.13269	20.7
151.11201	0.8
151.14804	0.8
153.12790	0.8
159.11699	7.8
161.13254	10.2
163.14830	17.0
165.12764	1.0
172.94269	0.7
173.13275	8.9
175.14847	4.0
177.12827	0.6
177.16376	4.6
179.14285	1.1
187.14824	6.5
189.16354	0.8
191.02281	0.5
191.14323	0.5
201.16414	2.1
205.15970	0.7
215.17989	1.5
219.17474	1.0
233.22736	0.9
243.21094	28.7
261.13116	2.1
261.22159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02371	0.5
53.03944	2.1
55.01870	0.7
55.05512	9.2
55.37697	0.3
56.96572	0.9
57.03442	1.1
57.07071	2.7
63.31721	0.3
65.03944	1.1
67.05505	30.0
69.07069	8.9
69.07424	0.3
69.33730	2.8
71.05006	1.8
71.08631	1.0
77.03938	0.8
79.05495	39.7
81.03442	0.4
81.07059	36.6
83.05003	0.5
83.08620	5.7
85.06537	2.6
85.10195	0.5
87.09277	0.4
91.01176	0.4
91.04906	0.8
91.05480	19.8
93.07046	54.5
95.04972	1.8
95.08608	27.3
97.06513	2.0
97.10175	1.7
98.97562	0.4
99.08077	3.1
105.04533	1.1
105.07037	13.8
107.08598	36.8
109.06503	1.2
109.10159	10.8
109.10908	0.5
111.08094	2.5
111.11762	0.4
113.09669	1.0
117.07014	5.6
119.08582	11.5
121.10145	32.5
123.08047	1.5
123.11701	3.3
125.09627	0.8
131.08578	11.0
133.10143	9.6
135.08104	0.5
135.11696	28.1
137.09616	1.3
137.13257	1.0
139.11212	0.5
145.10127	9.9
147.11691	8.6
149.09605	0.9
149.13263	21.7
151.11148	1.0
151.14835	0.7
152.91203	0.4
153.12735	1.0
159.11688	8.1
161.13266	9.9
161.14601	0.5
163.11250	0.8
163.14836	17.7
165.12769	1.4
173.13264	9.1
173.14664	0.6
175.14821	4.1
177.12799	0.5
177.16382	5.8
179.14282	1.8
187.14833	5.8
189.16388	0.8
191.14351	0.4
201.16388	2.6
205.15871	0.8
215.17929	1.5
217.19501	0.5
219.01799	0.6
219.17514	0.8
229.92239	0.5
233.22647	1.2
236.28577	0.3
243.21091	27.3
258.10260	0.4
261.03192	0.5
261.12991	1.6
261.22141	100.0
262.22546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23769	0.3
53.03944	1.4
55.01868	0.8
55.05258	0.7
55.05513	9.5
57.03438	1.1
57.07079	2.9
65.03948	1.1
67.05508	29.9
69.07072	9.3
69.07339	0.2
71.00758	0.9
71.04993	1.6
71.08636	1.2
77.03925	0.5
79.05496	40.4
79.50957	0.4
81.07060	38.2
83.04995	0.7
83.08628	5.9
85.06546	2.6
91.05486	20.3
93.07049	55.5
95.04982	2.7
95.08611	26.0
97.06528	2.4
97.10183	2.0
99.08093	2.9
105.04553	0.7
105.07037	14.5
107.08600	37.7
109.06528	0.9
109.10162	11.6
111.08090	2.1
111.11742	0.5
113.09660	1.3
117.07026	4.5
119.06075	0.6
119.08584	12.7
121.10149	33.6
123.08067	1.5
123.11719	4.2
125.09612	1.1
127.11139	0.5
129.06937	0.4
131.08575	11.6
133.10136	11.1
135.08084	0.7
135.11699	25.7
137.09633	1.4
137.13329	0.9
139.11142	0.5
145.10135	10.7
147.11699	9.4
147.12584	0.2
149.09630	0.6
149.13268	23.7
151.11169	0.9
153.12708	0.5
159.11707	9.0
159.13025	0.6
161.13274	8.4
163.11154	0.5
163.14825	17.0
165.12776	1.2
173.13263	8.5
175.14827	3.0
177.12823	0.5
177.16412	4.6
179.14307	1.3
187.14830	5.7
189.16486	0.5
201.16414	2.3
203.17953	0.7
205.15912	0.6
215.17949	1.3
217.19568	0.4
219.17398	0.7
233.22699	1.0
243.21098	26.8
248.59160	0.4
261.22150	100.0
262.22278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.30879	0.4
51.02371	0.7
53.03943	2.6
54.79814	0.4
55.01855	0.7
55.05513	11.4
56.96560	0.4
57.03439	1.4
57.07082	3.9
62.13822	0.5
65.03955	1.2
67.05508	37.2
69.03407	0.5
69.07069	10.9
70.84039	0.8
70.84348	0.7
71.05003	2.8
71.08620	1.1
73.37329	0.4
77.03941	0.8
79.05496	50.2
81.03433	0.7
81.07059	46.1
83.04980	1.2
83.08620	6.4
85.06551	2.3
85.10141	0.5
91.05482	23.8
93.07047	65.0
95.04990	3.2
95.08610	35.2
97.06007	0.5
97.06539	3.2
97.10198	2.6
99.08075	2.6
105.04518	1.3
105.07037	16.7
107.04980	0.5
107.08600	40.9
109.06508	1.5
109.10159	13.4
111.08112	2.8
111.11720	0.7
113.09664	1.2
117.07020	5.1
119.06030	0.4
119.08588	14.5
121.10149	39.1
123.08079	1.4
123.11728	5.5
125.09632	0.9
131.08580	12.7
133.10138	11.4
133.11082	0.9
135.08040	0.9
135.11699	28.9
137.09618	1.4
137.13268	1.5
139.11185	0.6
145.10130	13.8
147.11702	11.2
149.09616	0.6
149.13260	23.3
151.11217	1.2
151.14825	0.5
153.12779	0.5
159.11707	8.1
161.13258	12.8
163.11221	0.8
163.14827	17.0
165.12755	1.1
173.13269	8.9
175.14813	3.9
177.12753	0.6
177.16405	4.5
179.14339	1.6
187.14827	6.4
189.16402	0.9
191.14581	0.4
195.00188	0.5
201.16441	3.6
203.17996	0.6
205.15840	0.5
215.17955	1.5
219.17329	0.8
233.22592	0.7
243.21100	27.6
261.13019	1.8
261.22150	100.0
266.32318	0.4
270.48886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01871	0.6
55.05511	8.5
57.07079	3.2
65.03945	1.0
67.05508	28.6
69.07075	8.7
69.42600	3.5
70.20329	0.4
71.05003	2.3
71.08623	1.1
77.03928	0.8
79.05498	39.7
81.07062	31.8
83.04971	0.9
83.08624	5.7
83.56012	0.4
85.06546	2.7
85.10202	0.5
91.05483	18.2
93.07049	53.8
95.04968	3.1
95.08611	24.9
95.09094	0.5
97.06511	1.9
97.10156	2.0
99.08108	2.2
102.18524	0.5
105.04530	1.1
105.07035	13.8
107.08601	36.4
109.06523	1.4
109.10165	10.1
111.08072	2.1
117.07037	5.2
119.06064	0.5
119.08593	10.1
121.10150	30.5
123.08053	1.2
123.11720	4.2
125.09575	0.6
129.85754	0.6
131.08583	9.8
133.10152	9.6
135.08022	0.5
135.11699	25.2
137.09599	1.1
137.13243	1.5
145.10135	10.8
147.10558	0.4
147.11685	7.8
149.09616	1.2
149.13269	20.0
151.11237	1.1
151.14833	0.6
153.12807	1.0
159.11702	8.7
161.13274	9.1
163.11195	0.8
163.14828	15.1
165.12753	1.0
168.21643	0.5
173.13278	8.2
175.14809	3.6
177.12735	0.6
177.16383	4.6
179.14304	1.8
185.07524	0.5
187.14813	5.5
189.16473	1.1
201.16383	2.2
203.17989	0.6
215.18018	1.1
217.19583	0.6
219.17323	0.6
233.19003	0.6
233.22615	1.3
243.21094	27.3
261.22147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
53.04177	0.4
55.01878	0.4
56.05007	0.6
56.96569	4.4
57.03433	0.7
58.06600	0.7
58.99591	6.4
61.83163	0.3
67.05508	6.5
69.03420	1.5
69.07070	22.7
70.02931	0.6
70.06586	1.3
70.67294	0.9
70.67625	0.4
71.04988	0.6
72.08154	0.5
73.02908	1.0
74.97635	0.4
76.02234	2.3
81.03427	0.8
81.07053	0.4
81.09488	0.4
82.06561	0.5
84.04507	5.8
84.08142	3.8
84.96033	1.0
85.02917	1.8
85.08427	0.5
86.09706	8.1
87.04440	0.4
87.10040	0.6
88.03991	1.0
91.05502	0.6
95.04980	1.2
97.02914	1.0
98.20797	0.4
98.97593	5.2
98.98461	1.1
99.02686	2.6
99.04430	0.5
101.04247	39.8
102.05564	0.9
105.07021	0.6
107.04948	0.6
108.05687	0.4
109.02883	0.7
110.06023	1.3
110.07166	0.5
110.97578	1.1
112.07632	2.3
112.99142	0.4
116.98632	3.7
122.02732	0.6
123.04465	0.6
127.02147	4.3
127.03897	0.8
127.05775	1.6
128.98599	1.1
129.03722	1.4
129.10260	0.4
130.04997	0.7
130.06523	1.4
130.08688	0.4
131.00145	0.4
132.10240	2.3
134.99663	1.4
136.07603	0.5
137.05994	0.8
138.05528	0.9
140.07072	6.0
143.00230	1.0
144.10214	0.8
149.02348	1.0
155.01564	0.6
157.07620	0.4
158.06036	1.4
158.99672	1.4
161.01212	0.9
170.06339	1.1
170.99643	0.5
172.04280	100.0
173.01242	0.5
173.04659	0.5
175.02745	0.6
177.00739	1.6
180.04807	0.9
183.03165	0.4
187.07610	0.5
189.00702	0.9
191.02306	0.5
197.07445	2.3
197.12924	3.4
198.05858	2.3
201.00764	1.2
207.01793	0.5
215.08531	7.6
216.11928	0.4
219.01761	2.5
221.10728	0.5
229.03273	0.6
230.71976	0.4
237.02861	1.3
243.08041	1.1
243.13426	3.4
244.06401	12.6
246.06056	0.4
255.06421	0.5
261.03177	0.6
261.05862	3.1
261.09073	12.6
261.14822	0.6
261.19733	0.5
261.22263	0.6
279.04102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.9
58.06586	0.3
67.03227	0.3
69.03406	0.4
70.41817	1.0
81.07029	0.4
83.08614	0.3
84.08132	0.5
84.13151	0.3
84.96040	0.4
85.02892	1.0
86.09731	0.4
91.05466	0.5
97.02888	0.3
98.20872	0.4
98.97574	1.2
107.04998	0.3
116.98584	0.4
121.06524	0.3
128.98625	0.4
130.06535	0.6
137.05954	0.4
144.01189	0.4
158.99635	0.4
159.61150	0.3
164.07176	0.4
170.06046	0.6
177.00668	0.4
219.01672	0.5
237.00455	0.4
237.02867	0.5
243.25311	0.4
261.13104	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03941	1.4
55.01861	0.7
55.05259	0.5
55.05512	8.6
57.03428	1.3
57.07073	2.6
59.05005	0.4
65.03931	1.0
67.05505	28.2
69.03423	0.4
69.06719	0.6
69.07067	7.6
69.33559	1.0
69.33975	1.4
71.04993	1.8
71.08626	0.9
77.03928	0.5
79.05494	38.4
81.07057	33.3
81.07433	0.4
82.46775	0.3
83.04984	1.0
83.08624	5.1
85.06544	2.6
86.52931	0.3
91.05480	18.3
93.07045	50.4
95.04986	2.0
95.08609	25.1
97.06527	2.3
97.10164	1.9
98.77975	0.3
99.08094	3.0
105.04541	0.7
105.07034	13.4
107.08596	34.5
109.06512	1.1
109.10156	10.8
109.78580	0.3
111.08099	2.3
111.11732	0.7
113.09649	0.7
116.35294	0.3
117.07030	4.5
119.06045	0.5
119.08583	11.4
121.10148	31.5
123.08087	0.9
123.11711	3.7
125.09638	0.9
127.11183	0.3
129.07037	0.4
131.08568	9.6
133.10133	10.3
135.08092	0.8
135.11691	26.4
137.09615	1.1
137.13251	1.1
139.11188	0.6
145.10129	10.9
147.11685	9.1
149.13260	22.3
151.11171	0.8
151.14787	0.4
153.12749	0.6
159.11700	8.1
159.13013	0.4
161.13246	9.8
163.02145	0.3
163.11188	0.7
163.14822	15.2
165.12744	1.1
167.14317	0.3
171.11653	0.5
172.94212	0.3
173.13271	7.7
175.14835	3.3
177.12663	0.4
177.16385	3.5
179.14281	1.3
187.14838	5.4
189.16389	0.7
191.14336	0.7
201.16385	2.4
203.17902	0.4
205.15825	0.6
215.17934	1.9
219.17395	0.5
233.22620	0.9
243.21082	24.9
254.89008	0.3
261.22147	100.0
262.22418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0309
Annotation	Ifosfamide
Peak:m/z	Relative Intensity
54.16174	0.1
56.96579	0.6
69.88884	0.6
71.95280	0.2
82.99876	0.5
98.97591	5.0
101.00888	4.2
102.00985	0.2
110.97581	0.1
112.99206	0.1
116.98627	2.0
119.01931	5.4
120.00094	0.1
120.02020	0.3
122.97841	0.2
128.98531	0.1
131.00069	0.1
133.17604	0.1
134.99709	0.7
137.02957	0.5
140.98788	0.9
143.00197	0.2
148.55655	0.1
157.01978	0.1
158.99889	2.5
165.99652	0.2
170.99596	0.1
173.01324	0.3
175.02997	0.2
177.00963	11.2
178.01042	0.2
182.99861	1.0
189.00749	0.2
199.02983	0.2
201.00941	3.4
209.98499	0.2
217.04115	2.5
219.02019	18.1
220.02231	0.2
221.02045	0.2
225.00856	2.5
227.99683	0.2
234.00719	0.2
236.98593	0.1
237.02719	0.2
237.98763	2.2
238.98210	0.3
242.03706	0.2
242.98259	0.3
243.02003	13.5
261.03070	100.0
262.03244	1.3
263.03452	0.3
266.03662	0.3
275.04758	0.2
279.00650	1.7
279.03867	0.2
284.04657	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
56.05009	1.7
56.96566	7.2
57.03427	1.9
57.65386	1.1
58.06607	1.7
61.02898	1.3
65.71861	1.2
67.05503	2.5
69.03425	2.2
69.07073	8.4
70.06586	3.1
70.98126	2.1
71.55644	1.5
73.02940	1.2
73.06573	1.1
81.03432	1.5
82.99895	1.2
84.04514	4.5
84.08150	13.1
84.49432	1.0
84.96051	2.2
85.02898	4.3
85.08453	3.2
85.61003	1.3
86.09708	6.7
88.99158	1.2
94.24744	1.3
95.04974	1.5
97.02874	2.8
98.97589	15.6
98.98476	2.3
100.02219	1.4
101.00889	5.4
101.04261	1.6
102.01778	4.7
103.02514	1.1
109.02850	1.1
110.97558	2.6
112.07611	1.7
113.02099	1.7
115.02448	1.8
116.98616	5.2
119.01950	9.7
125.47338	1.2
128.98616	4.0
129.10252	3.5
130.08624	1.8
131.00259	1.2
131.02017	1.3
131.06895	1.5
133.03452	8.0
138.99995	1.9
140.07069	11.5
140.98599	2.0
143.00130	2.3
143.01923	1.7
144.13861	1.4
145.01720	1.2
146.99660	2.4
148.02280	4.7
158.99663	4.0
161.01233	1.8
161.03017	4.0
171.01376	2.0
171.02663	8.0
172.04305	10.3
173.01237	2.1
173.03036	3.7
175.02658	1.5
175.04462	1.4
175.75198	1.2
177.00745	2.9
187.04495	6.1
189.00769	2.3
189.02414	1.9
191.02257	1.4
191.04008	3.6
197.03046	2.1
197.12863	2.3
200.06937	1.4
201.00737	2.7
201.02426	3.1
203.04060	9.7
215.04030	3.4
219.01677	5.9
219.03647	1.9
226.11816	1.2
237.02965	1.5
243.13641	1.3
244.06471	2.5
261.05853	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2374
Annotation	4Z,7Z,10Z-Octadecatrienenitrile
Peak:m/z	Relative Intensity
50.62394	0.4
53.33011	0.3
55.05501	1.3
56.57643	0.4
56.96561	5.6
57.03438	0.7
57.07070	2.7
58.06591	0.3
63.04335	0.4
67.05491	1.1
69.07059	1.1
69.10048	0.4
70.06575	1.8
70.17087	0.4
71.55163	0.5
72.50866	0.4
79.05483	1.2
81.07037	1.3
83.08604	0.5
88.07633	2.3
91.05479	2.3
93.07025	1.2
95.08591	0.9
95.30733	0.4
98.97560	1.1
102.09150	0.9
105.06998	1.2
105.84521	0.4
106.08662	1.0
107.08575	0.7
108.30220	0.4
114.03427	0.4
114.04465	0.4
116.98642	0.4
117.07040	0.7
118.06550	5.0
119.08587	0.9
120.96399	0.4
129.07004	0.5
131.08525	1.0
132.08092	1.9
133.03453	1.1
133.08885	0.8
133.10045	0.5
134.09657	0.7
136.92177	2.1
137.05974	0.5
146.09622	1.5
147.35661	0.4
154.93216	4.8
164.07039	0.5
172.94275	8.8
176.14354	38.9
177.94734	0.7
184.08582	0.6
190.95323	6.6
195.95862	7.0
201.09641	0.6
201.95433	0.7
202.15886	0.5
204.13786	0.9
213.96928	6.7
215.07912	0.5
217.18335	0.4
218.97565	1.0
228.10144	0.6
236.93550	1.1
236.98366	0.9
237.14098	1.3
239.11307	0.7
242.13515	0.5
242.24734	1.0
251.13719	1.1
259.95163	0.5
260.12738	1.7
260.23682	100.0
260.25891	10.6
273.47794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32560	0.5
50.58574	0.5
55.01835	0.6
56.96534	0.9
65.33051	0.6
70.06534	0.8
70.84433	0.8
70.84772	1.1
80.04977	0.7
84.04427	0.5
84.08082	1.5
86.09635	0.7
91.05476	3.5
98.97546	1.4
103.05442	0.7
105.07002	0.8
107.04908	0.9
115.05391	1.7
117.05700	2.2
117.06942	1.7
119.04927	0.6
121.06473	0.6
121.98635	0.5
128.06158	2.2
129.06178	0.7
129.07007	9.3
130.06508	7.7
131.08560	1.2
132.08096	2.8
134.05971	0.8
136.07524	0.7
137.05916	1.9
141.06932	2.0
142.07715	0.6
143.07253	4.0
143.08496	2.1
144.08093	6.8
145.06421	0.8
146.05977	0.7
148.07536	0.6
153.06996	2.9
154.06454	3.9
154.07700	0.9
155.07237	3.8
155.08521	5.0
156.08105	7.3
157.06490	2.8
157.08911	2.6
157.09972	0.8
158.05998	0.8
158.08394	1.1
158.09653	19.2
160.07526	0.9
162.09102	0.7
164.07080	5.5
165.07042	1.2
167.07248	1.6
167.08545	1.1
168.08052	4.3
169.06520	0.8
169.08881	10.0
170.09653	2.7
171.08031	1.2
171.10423	1.3
172.07535	1.5
172.11250	3.2
182.09657	7.4
183.08130	1.4
183.10396	2.4
184.07510	1.6
184.11227	13.6
185.08374	2.2
186.09143	24.7
188.07094	2.0
198.09184	4.8
199.07552	0.6
199.09883	0.7
200.10713	24.0
210.09145	1.6
223.12325	1.0
226.08583	2.5
228.10196	100.0
229.10606	0.6
260.12851	36.4
260.62857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2012
Annotation	Phormidinine A
Peak:m/z	Relative Intensity
53.35481	0.2
55.05502	0.3
56.49302	0.2
56.96564	1.7
57.07072	0.5
60.55646	0.2
67.05487	0.4
67.46001	0.2
69.03419	0.3
69.07065	0.5
69.61205	0.2
70.04083	3.1
70.14446	0.9
71.08627	0.4
71.66025	0.2
73.02886	0.2
78.25626	0.2
79.05470	0.3
81.07043	0.3
82.84780	0.2
85.02908	0.3
91.05479	0.7
95.08598	0.3
97.02917	0.4
97.06530	0.4
98.97588	0.8
105.07033	0.3
106.06550	0.2
107.07316	0.8
116.98668	0.4
117.05740	0.3
117.07022	0.2
118.06551	2.5
119.07294	0.7
119.08600	0.2
120.08099	0.7
121.91239	0.2
129.06999	0.7
130.06512	1.2
131.07295	0.4
131.08508	0.2
132.08113	2.1
133.08893	0.2
133.10123	0.3
134.09637	0.7
136.92166	0.4
137.05959	0.3
137.08366	0.3
144.08055	1.2
145.08963	0.2
146.06010	0.5
146.09639	0.8
148.07591	0.5
148.11232	1.0
149.55391	0.2
151.09924	1.6
154.93216	1.0
155.01903	0.3
157.10115	0.3
158.09621	1.7
160.11243	0.3
162.09158	8.8
163.09937	1.0
164.07089	0.5
164.10718	1.1
172.11226	1.8
172.94304	1.9
173.12033	0.5
174.04459	0.3
174.09137	3.1
174.12744	0.3
176.10719	16.3
178.12274	0.5
183.05013	0.4
185.03035	0.3
186.12762	0.6
187.13530	0.3
188.10701	3.4
190.12263	3.8
190.95378	1.3
191.13045	2.8
192.13861	1.5
195.95941	1.2
200.10750	0.3
202.12263	4.4
204.13866	0.7
213.96986	1.1
216.06483	0.2
216.13957	2.8
216.17456	5.0
217.14600	0.9
228.10173	0.3
230.15453	0.6
236.93530	0.2
242.19133	0.4
244.17201	0.2
260.01685	1.0
260.12820	2.3
260.20114	100.0
261.20493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Bactacine
Peak:m/z	Relative Intensity
50.00688	1.1
55.02742	1.0
55.05500	1.9
55.97849	1.1
57.07072	2.6
59.70062	1.2
67.05515	5.8
69.07072	7.2
69.55137	7.5
71.04967	2.9
79.05486	4.8
81.07064	27.1
89.51147	1.0
90.42171	1.0
91.05476	3.2
93.07055	9.1
95.04952	2.8
95.08606	19.2
104.90973	1.1
105.03384	4.6
105.07048	7.6
107.08591	6.4
109.06529	5.1
109.10159	8.5
109.15036	1.2
111.08062	3.0
117.06994	1.7
119.08587	11.7
121.10133	4.5
123.08080	2.6
123.11713	66.4
129.01836	1.7
131.08562	3.8
133.10107	5.5
135.08055	11.9
135.11668	4.7
137.09625	12.8
143.08492	2.5
145.10133	9.2
147.11684	4.4
149.09602	4.3
149.13295	1.4
154.18553	1.1
157.10197	2.7
159.11732	6.2
161.13248	2.6
165.12766	2.6
169.88901	1.4
171.11763	2.7
173.13315	1.6
175.11226	1.3
175.14825	7.4
181.06563	1.1
185.13232	2.8
189.12749	1.6
189.16373	1.7
190.07103	1.1
191.14302	1.3
199.14859	1.4
201.16379	7.9
203.14360	3.2
215.17914	1.4
241.19516	5.4
259.11108	3.2
259.20584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.01873	1.9
55.05519	13.3
57.07063	3.1
67.05496	7.7
69.06728	2.8
69.07069	34.7
71.04996	31.6
73.55508	1.8
79.05482	8.1
81.07055	17.6
83.04981	4.8
83.08616	9.1
85.06544	21.6
91.05487	10.6
93.07044	15.6
95.04982	2.4
95.08620	17.1
97.06553	3.5
105.07030	24.8
107.08589	20.6
109.06539	11.9
109.10169	17.0
111.08102	12.7
117.07010	6.5
117.89010	1.7
119.08585	58.2
121.10152	12.1
121.10896	2.0
123.08117	3.1
123.11702	24.5
129.06956	3.4
130.07800	4.1
131.08543	15.5
133.10133	38.0
135.08057	20.1
135.11693	5.6
137.09630	4.5
143.08578	4.9
143.70143	1.6
145.10121	33.4
147.11713	20.2
149.09682	3.1
149.13290	2.7
156.09314	2.5
157.10138	13.2
159.11694	31.2
160.12457	4.0
160.64384	2.1
161.09628	2.1
161.13264	40.2
163.11197	2.8
170.10826	2.8
171.11685	17.6
173.13268	14.0
175.11311	3.1
175.14830	100.0
176.15601	5.0
177.12703	3.7
177.16391	2.6
177.34641	1.7
181.06551	2.0
185.13297	16.5
189.12720	6.1
189.16394	5.9
190.13509	4.0
197.11856	2.7
199.14874	5.0
201.16382	19.6
203.14339	11.6
215.17946	5.0
217.19577	3.6
229.25060	2.3
236.01302	2.1
241.19472	18.5
259.20590	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	259.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69889	0.9
69.46949	2.2
69.47356	6.5
80.60252	0.9
89.40977	1.1
93.08500	0.9
97.02845	1.0
125.07146	1.4
141.64313	1.1
142.03265	0.9
157.78204	1.1
214.36438	1.1
259.04279	100.0
259.16507	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	259.075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.05518	0.9
56.96575	3.4
57.03447	1.0
61.02959	0.6
65.03938	3.9
67.05508	22.6
69.03442	1.6
70.06594	1.1
70.98138	0.9
71.55820	0.9
72.08147	1.3
73.02926	1.6
77.95127	0.6
80.05016	1.2
81.03433	0.7
81.04543	4.5
81.05793	0.8
81.07083	2.0
82.06580	1.0
83.25398	0.6
84.04522	1.4
84.08153	2.2
85.02913	1.7
86.09734	1.0
92.00449	0.6
92.05017	1.1
93.03418	1.4
95.04981	9.6
95.06098	3.6
97.01130	1.7
97.02918	1.1
98.97614	2.2
99.02679	5.3
105.07056	0.7
107.05000	0.8
108.04472	0.9
109.05276	2.0
110.06066	1.8
114.03770	2.4
116.98624	1.2
120.04472	0.8
123.05621	0.9
124.02186	2.7
125.00610	3.1
125.07161	4.8
127.02135	3.3
137.02368	0.9
137.06000	1.3
138.05515	82.0
142.03241	6.0
143.08153	3.7
146.99661	1.6
149.09267	0.8
152.01662	3.0
153.00076	3.0
153.16599	0.7
158.99664	1.3
160.21611	0.6
163.03896	0.5
165.61555	0.5
168.04768	3.2
170.02727	100.0
177.00691	0.9
194.99718	1.3
195.01480	0.7
195.07718	1.2
199.05414	0.8
213.00600	3.2
213.06924	4.3
213.08806	1.8
217.00179	1.3
235.01219	1.0
241.06509	1.0
241.15512	2.5
242.04855	13.3
259.04260	46.5
259.07434	10.7
259.16592	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	259.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05806	1.3
53.03947	2.1
55.01870	3.9
55.05517	24.8
56.96548	4.9
57.02522	1.7
57.03183	2.3
57.03440	25.2
57.07068	3.5
59.04992	3.2
67.05507	18.9
69.03422	6.5
69.07070	63.4
70.30399	6.2
71.04981	2.3
73.06556	4.5
79.05501	20.2
79.79031	2.1
81.03406	3.2
81.07063	43.9
83.04992	14.1
83.08617	3.0
85.02885	1.6
85.06550	3.5
87.04478	1.8
91.05484	4.8
93.06478	3.1
93.07050	46.6
95.04984	2.0
95.08611	26.1
97.02898	2.4
97.06538	25.5
97.10178	25.0
98.97600	11.2
99.08125	2.3
101.05979	2.8
103.05474	1.6
105.07041	4.5
107.08603	9.7
109.02878	2.7
109.10166	3.9
111.11741	11.4
112.99099	1.8
116.98621	5.0
117.07020	1.7
119.08588	4.6
121.10152	64.5
121.11036	3.4
123.04437	1.6
123.08082	2.0
131.08572	5.6
133.10149	3.7
135.11717	1.8
137.06013	2.3
139.11191	71.6
142.03281	8.5
145.10114	2.0
147.11636	1.6
149.01207	1.8
149.09625	7.1
157.12216	2.4
158.99597	2.9
159.11749	2.6
159.46288	1.7
163.03882	3.8
167.10664	4.1
173.01187	2.1
177.00740	2.4
185.11761	5.8
203.12801	94.8
209.96213	1.7
241.06421	2.2
241.14354	3.3
258.59546	4.9
259.07568	2.6
259.09857	6.7
259.15421	100.0
259.24374	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05507	1.1
56.96567	8.5
57.03434	1.1
58.99878	1.4
61.02923	1.4
62.61249	1.1
65.32275	0.9
66.65463	0.8
69.96993	4.0
69.97394	1.6
70.06605	1.5
70.18925	0.9
70.98120	4.7
70.99867	3.6
72.08138	1.3
82.99858	3.6
84.04516	1.5
84.08154	3.6
85.02928	3.3
86.09718	2.4
89.00926	2.2
97.02912	2.0
98.97585	8.6
100.02219	9.8
101.00887	19.6
110.97592	3.5
112.07642	1.7
113.00861	2.5
115.02448	3.8
116.98624	1.7
119.01936	23.4
128.98665	1.2
129.10242	1.7
130.10567	1.2
131.01924	9.6
133.03491	16.6
137.02992	2.6
140.98630	3.5
142.03343	1.8
143.00206	2.0
143.01974	2.0
145.03511	2.0
146.02711	13.3
149.02971	5.8
151.04529	3.3
156.98099	1.5
156.99834	4.6
158.99718	6.9
159.01427	1.5
161.01273	1.3
161.03003	3.9
163.04521	1.1
171.01402	8.6
173.01317	0.9
173.02954	1.7
174.99367	1.5
175.00891	26.2
175.02423	1.6
176.01010	1.3
177.00804	3.6
177.02565	3.2
189.00850	1.3
189.02463	16.5
189.04085	1.5
191.04065	1.7
193.02008	3.6
195.02174	1.1
198.99387	1.3
199.01030	1.2
199.02267	13.9
213.02556	3.5
213.06923	2.4
217.00172	4.1
217.01981	36.0
231.03604	3.8
233.05006	1.3
235.01228	3.1
235.03163	16.8
236.06389	1.5
241.03438	6.9
245.01424	1.7
258.99881	2.7
259.04361	100.0
259.15009	1.3
277.01248	2.0
277.04211	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	258.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48060	0.5
54.30154	0.4
55.01878	0.9
55.05516	1.9
55.73078	0.5
56.05038	1.9
56.96566	5.2
57.03434	1.5
60.04531	0.6
61.02934	5.5
67.05501	0.5
69.03432	1.5
70.06598	1.5
70.98111	2.1
71.54844	0.6
72.08130	0.5
73.02913	2.6
73.06557	1.9
74.00659	0.5
74.06074	0.4
74.67229	0.4
81.03432	1.0
82.06563	0.6
83.00813	0.4
83.06106	0.5
84.04507	17.4
84.08146	77.3
85.02904	5.2
86.09751	0.7
88.04023	0.4
88.99183	0.5
90.01565	0.6
90.05566	0.6
91.03942	0.5
91.05509	0.6
97.02908	2.6
98.97581	7.8
100.02207	1.6
101.00867	0.9
101.10774	1.6
102.05531	0.8
108.69776	0.4
110.01301	0.6
110.07154	2.2
110.97575	1.5
111.09176	0.7
116.98656	1.1
117.01894	2.1
118.01001	0.6
119.01839	0.9
124.99141	1.5
126.05482	0.5
127.03949	1.3
128.02322	0.5
128.98624	1.8
129.10245	100.0
130.04993	4.6
132.00717	1.9
133.01622	0.4
133.03439	0.6
137.05978	0.7
139.01515	0.5
141.01266	1.0
143.00185	1.7
145.01657	0.5
145.03366	0.4
145.04945	0.7
146.02725	1.4
146.04126	1.7
146.99652	1.4
147.03250	1.2
148.02029	1.2
149.04442	0.7
155.04663	11.8
158.99637	3.7
161.01207	1.4
161.03061	0.5
164.05208	2.3
165.00670	0.6
168.01849	0.6
168.03522	0.5
168.05307	0.5
172.97600	0.8
173.01378	0.6
173.02863	0.6
174.99069	0.7
177.00752	1.3
177.02330	1.1
177.04158	0.5
184.03250	0.6
189.04254	0.8
191.02318	1.0
191.03903	0.7
195.11301	3.0
197.02118	2.3
197.52223	0.5
198.02715	0.5
200.37675	0.5
204.02780	0.6
205.00267	1.0
205.05548	0.8
205.92490	0.5
206.02644	1.3
212.03691	0.5
212.10701	1.2
212.13979	1.8
213.03438	3.6
214.12379	0.5
217.00191	1.5
219.01831	0.5
219.05197	3.4
235.01244	1.4
237.02872	0.6
240.13506	2.5
241.08640	0.5
241.11916	1.1
249.06276	4.1
258.04788	0.6
258.11340	2.3
258.14508	9.9
258.18143	0.9
259.07690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.6
55.01880	1.3
55.05515	10.4
56.67535	0.9
56.96526	1.0
57.03439	1.4
57.07075	2.2
59.04993	1.3
63.77062	0.9
65.03927	1.0
67.05179	1.5
67.05512	22.1
69.03418	2.2
69.06771	1.1
69.07077	11.9
71.04986	4.4
71.08618	1.1
79.05500	12.2
81.06592	1.0
81.07065	16.5
83.04991	14.1
83.08624	2.9
85.02908	2.3
85.06539	3.2
91.05485	19.3
93.07054	17.2
95.05005	5.2
95.08627	14.6
97.06541	2.6
98.21474	3.1
99.04453	2.0
99.08091	1.1
103.05457	1.2
105.06401	1.6
105.07042	24.6
107.08600	16.0
109.06540	5.3
109.10168	12.7
111.04475	6.9
111.08070	2.4
111.11742	2.6
115.05459	2.1
116.06226	2.1
117.07026	24.5
119.08592	21.0
121.06526	2.4
121.10155	65.7
123.08081	2.7
123.11710	3.4
125.09661	1.4
128.06247	5.0
129.07013	17.4
130.07809	2.2
131.08578	47.8
133.06488	1.8
133.07558	1.2
133.10139	15.5
133.15923	1.0
135.08075	17.4
135.11728	5.1
137.09604	4.1
141.06981	8.2
142.07762	3.1
143.08574	23.8
144.09377	1.6
145.10136	58.7
147.11685	13.4
149.09608	4.0
151.11159	1.5
153.01860	1.6
153.05446	6.5
154.07784	3.1
155.08534	9.2
156.09351	1.6
157.10147	23.2
158.10910	1.4
159.08092	1.8
159.11711	32.6
161.09633	3.4
161.13235	3.9
163.11180	2.2
163.14876	1.3
168.09293	2.0
169.10138	12.9
170.10945	1.3
171.11708	25.6
173.09631	2.1
173.13286	20.3
175.11188	2.7
175.14807	2.1
177.12776	1.5
181.10083	1.3
182.10869	1.1
183.10069	1.4
183.11688	19.4
184.12537	1.9
185.13240	5.0
187.11223	2.7
187.14824	4.3
189.12769	1.9
197.13263	16.7
199.14836	23.2
201.12737	3.0
201.16461	2.3
211.14812	2.7
213.16365	7.0
214.17207	1.2
215.14418	1.3
215.17947	4.8
229.19554	1.8
239.09315	1.9
239.17961	37.3
257.07980	2.6
257.10297	2.3
257.19009	100.0
257.22629	28.6
257.26675	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03943	1.3
55.01863	1.3
55.04049	0.7
55.05513	3.8
57.07056	2.1
59.04993	1.0
62.44482	0.7
67.05511	6.7
69.03430	1.3
69.07060	6.1
69.31165	1.4
69.31571	6.0
70.06573	1.5
71.04980	3.5
71.08622	0.8
77.03906	0.7
79.05496	7.5
81.07051	6.1
83.04959	2.1
83.08611	2.2
85.06525	2.9
88.07629	0.8
91.05476	11.0
93.07047	18.6
95.04968	4.2
95.08614	12.8
97.06520	1.5
98.21530	1.2
98.97585	4.1
103.05470	1.5
104.50117	0.7
105.07035	26.8
106.07807	0.8
107.08599	18.6
109.06518	7.8
109.10164	9.9
111.08092	3.1
113.09644	0.9
115.05442	1.7
116.98618	0.7
117.07030	5.2
119.08586	19.2
121.06499	1.6
121.10148	78.5
122.10516	0.7
123.08078	4.6
123.11678	2.3
128.06215	2.6
129.06992	3.8
130.07782	2.2
131.08569	12.3
131.47812	0.7
133.07590	1.7
133.10132	10.5
135.08058	24.2
135.11693	3.0
137.09618	8.4
141.06892	0.9
142.07779	5.0
143.08577	17.3
144.09340	2.0
145.10124	18.2
147.08020	0.9
147.11659	3.9
149.09615	4.4
150.11986	0.9
151.11198	1.9
153.01755	1.2
155.08560	3.7
156.09312	3.6
157.10138	19.5
158.10899	3.7
159.08054	1.3
159.11707	16.3
160.12457	0.9
161.09601	2.0
161.13235	2.0
163.11186	4.6
168.09337	1.6
169.10141	9.8
170.10925	1.3
171.11708	11.1
172.12473	1.2
173.09619	1.6
173.13264	21.5
174.14030	1.7
175.11212	1.7
175.14828	1.7
177.12804	2.1
181.10117	1.0
182.10880	1.4
183.11687	9.1
184.12471	3.3
185.13274	2.3
187.11148	6.0
187.14857	4.4
189.12740	2.6
195.11673	1.2
196.12462	1.8
197.13272	7.8
198.14046	1.0
199.14825	34.1
201.12715	7.1
204.69965	0.8
209.13240	1.6
210.13998	1.6
211.14919	1.2
213.16420	11.1
214.17136	2.9
215.14313	2.8
215.17973	7.5
220.30417	0.8
224.15460	1.3
229.15904	0.9
239.17946	14.4
257.08170	2.2
257.19019	100.0
257.26575	12.7
258.27911	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	257.1173
Annotation	AK-087/42718243
Peak:m/z	Relative Intensity
51.80255	0.2
55.05528	0.3
56.96577	0.4
57.07085	0.4
60.08167	0.3
65.03941	1.8
67.01992	0.2
67.05505	0.8
70.44268	0.7
78.73141	0.3
79.05495	1.1
79.75305	0.2
81.07070	0.5
91.05487	100.0
93.07059	0.2
95.04969	0.3
95.08640	0.3
98.97602	1.3
103.05455	0.6
105.07037	73.3
109.10145	0.4
115.05470	1.7
116.98621	0.9
117.07027	0.7
119.08632	0.2
121.06535	0.9
121.10166	0.4
125.06017	0.9
131.08591	0.7
133.06500	12.8
134.99715	0.3
137.05994	1.1
143.08586	0.3
145.10143	1.0
146.09660	1.0
149.05992	1.3
151.03894	1.5
151.07571	0.5
153.05493	1.8
155.08569	0.4
157.10118	0.6
159.11690	0.5
161.05983	0.8
171.11671	0.4
172.95334	0.3
179.08578	0.5
183.11681	0.4
211.11195	0.4
239.10741	2.8
239.17970	0.8
256.26407	0.2
256.30103	1.4
257.11737	26.9
257.18967	1.8
257.26617	0.3
257.30347	1.2
274.97568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0809
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
53.03955	0.6
55.01867	0.6
55.05492	1.0
56.96571	2.3
57.03441	0.6
57.07088	0.5
65.03948	0.8
67.05505	1.3
68.99794	1.4
69.03423	0.9
69.07088	0.6
70.98118	1.1
71.05013	0.4
71.56537	0.4
79.05483	0.8
81.03426	5.4
81.07039	1.7
83.08619	0.6
91.05492	5.9
91.61813	0.3
93.07058	0.8
95.04968	1.4
95.08614	1.0
96.02129	0.7
97.02890	0.4
97.06473	0.5
97.10163	0.4
97.99191	0.5
98.97610	1.8
101.45347	0.3
105.07029	0.9
107.04935	1.5
107.08598	0.5
109.02886	0.9
109.10139	0.6
111.04462	1.1
116.98636	0.9
117.03384	2.5
117.07045	0.4
119.04954	14.1
119.08649	0.4
119.88310	0.4
121.03959	0.6
121.10173	0.9
123.04451	4.0
123.11707	0.5
127.03917	1.0
129.07001	0.4
131.08588	0.8
133.10138	0.4
135.04410	0.6
137.02348	99.5
137.09915	0.4
141.06964	0.5
145.10115	1.6
147.04420	37.8
147.11620	0.5
153.07031	0.4
155.03436	1.2
155.08578	0.8
159.11703	0.6
163.03918	2.5
165.07036	1.5
169.06548	1.0
170.01277	0.4
171.08044	0.9
171.11632	0.7
183.08078	1.1
187.07619	1.0
187.11108	0.4
197.06015	0.7
197.13239	0.3
199.14821	0.6
211.07547	5.3
215.07010	0.4
223.04510	0.5
228.11569	0.4
239.07024	5.3
239.17976	0.6
242.05780	2.8
250.08620	1.2
256.55386	0.4
257.08105	100.0
257.18805	2.4
257.26736	0.5
258.08530	0.5
274.97479	0.8
278.08063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0808
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
53.03953	0.3
55.01873	0.3
55.05507	0.7
67.01855	1.5
67.05499	0.5
68.99796	1.0
69.03437	1.0
70.55491	0.3
70.55833	0.5
79.05496	2.3
83.04982	1.8
83.74075	0.2
85.02905	0.3
85.72639	0.2
88.07642	0.4
90.35994	0.2
91.05490	3.1
95.04968	0.7
97.02907	0.4
102.09200	0.4
103.05472	20.3
105.03396	0.5
105.07057	0.5
107.04964	2.7
109.10169	0.3
111.00811	0.9
111.04456	1.2
114.91802	0.2
117.07024	0.7
121.06516	0.3
123.04436	0.9
124.71094	0.2
129.07037	0.3
129.50172	0.2
131.04935	41.5
143.08568	0.3
145.06451	0.6
145.10138	0.7
147.08060	0.4
151.03894	2.1
153.01834	84.8
159.11644	0.4
171.02853	1.1
173.06007	2.8
179.03412	1.2
191.07065	0.8
215.07002	1.1
229.08487	0.5
239.07048	0.5
239.09193	0.4
243.37827	0.3
256.26331	1.0
257.08093	100.0
257.18735	1.2
257.22684	0.6
257.26642	2.2
258.08258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0809
Annotation	Pinocembrine
Peak:m/z	Relative Intensity
53.03910	0.3
57.07083	1.4
62.06501	0.3
67.05491	0.4
68.99754	1.1
69.49256	0.2
70.06602	2.9
70.67942	0.5
70.68259	0.3
71.06916	0.3
71.08585	0.4
79.05473	0.3
81.07024	0.5
85.10162	0.4
88.07159	0.3
88.07628	3.3
88.25185	0.3
89.07919	0.8
91.05465	0.4
95.04938	0.7
96.04960	0.3
98.97562	1.6
102.09191	2.8
103.09490	1.0
105.06965	0.3
107.04942	0.7
111.04421	0.4
115.05414	0.3
116.98598	0.7
117.06989	0.4
121.02832	1.1
121.06486	2.0
121.99514	0.3
123.04436	2.5
131.04910	0.6
131.08583	0.4
133.02788	0.3
133.06454	0.5
133.84048	0.3
134.03624	0.3
135.04381	1.1
141.06992	2.5
143.08554	0.4
145.06453	0.6
145.10124	1.0
146.07225	0.6
147.04349	0.3
148.05179	0.4
149.02353	5.8
152.06210	0.3
153.07034	0.4
155.99478	0.3
157.06531	0.3
158.07300	1.7
159.08049	0.6
161.05952	1.3
161.09601	1.1
163.03891	2.8
165.06981	0.3
167.03313	0.3
168.05713	2.7
169.06505	4.0
170.07217	0.8
171.08025	0.5
173.09669	0.5
181.06516	0.4
183.08038	2.2
185.06006	2.0
186.06769	6.4
187.07620	0.6
196.05194	0.7
197.05984	8.3
198.06859	1.5
201.09061	0.9
211.07535	2.6
213.05460	1.0
214.06264	4.9
227.06996	0.3
229.08607	100.0
230.08908	0.5
242.05405	2.2
256.26361	6.9
257.08096	52.7
257.19046	1.1
257.26694	18.2
261.78775	0.3
274.97562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01883	0.2
56.96574	0.3
58.70440	0.2
61.09226	0.2
66.56794	0.2
69.74680	0.9
70.06592	0.4
71.05001	0.3
72.08150	0.3
78.03446	0.7
79.04226	0.2
80.05020	3.4
85.02921	0.2
95.04993	0.2
96.04489	1.7
97.02851	0.3
98.97583	0.3
106.02934	0.6
113.54266	0.2
116.98635	0.3
122.02468	0.2
124.03957	100.0
125.04289	0.2
133.04965	0.3
135.47935	0.2
174.13693	0.2
210.07599	0.5
220.09712	0.2
224.12538	0.2
228.10118	0.2
238.07202	0.2
256.08167	12.0
256.26324	0.6
256.76697	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01857	1.6
55.28381	1.2
56.96574	8.4
57.03429	1.5
58.06603	2.0
60.05618	1.3
69.11889	1.2
69.35178	10.7
70.06596	9.7
72.08138	3.8
79.05479	1.5
84.04508	1.6
84.08123	2.4
84.96022	3.1
85.02882	3.1
86.09731	1.7
87.04454	2.6
89.06036	100.0
91.05460	2.7
93.05776	1.6
97.02920	2.2
97.06498	1.6
98.97594	8.9
105.50005	1.2
106.06540	1.6
107.10419	1.5
110.07159	1.6
116.07058	1.9
116.98597	5.1
119.04924	1.9
124.03965	26.3
127.03897	1.8
130.06506	1.5
132.95804	1.8
133.08614	49.2
134.22511	1.2
134.99620	1.9
137.05949	3.8
138.06357	2.1
143.03802	1.7
147.03296	1.6
147.04372	2.1
151.07526	3.1
151.09627	3.9
161.04875	4.2
171.86278	1.5
177.00635	1.3
177.11234	9.5
182.09654	2.3
187.02795	1.6
191.02301	4.2
191.97221	2.5
195.10086	2.7
195.12227	2.9
205.03932	2.0
208.09744	1.5
209.03297	4.6
210.09038	1.9
210.15918	1.6
221.10797	1.6
223.12273	8.6
224.11017	1.4
224.12709	14.0
228.10207	2.8
232.96654	1.6
233.03323	3.5
235.23567	1.3
238.10760	2.1
239.14899	83.2
240.14111	9.8
251.04160	2.6
256.07028	5.7
256.13104	5.4
256.15463	5.4
256.26337	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	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03938	4.0
53.66397	0.9
55.01870	4.3
55.05513	23.6
56.02153	0.8
57.03436	46.5
57.07075	4.9
63.00890	1.0
65.03927	2.2
67.05505	82.8
68.99773	1.0
69.03432	2.8
69.07068	22.1
69.19537	2.1
69.19949	6.6
71.01341	5.4
71.05003	7.8
71.08612	1.2
77.03917	1.1
79.05494	72.4
81.03415	11.1
81.06581	1.8
81.07057	32.0
83.04985	22.3
83.08620	7.3
84.28115	0.8
85.02891	1.8
85.04116	0.8
85.06546	7.4
87.04458	0.9
91.05482	27.1
93.07044	82.2
95.04973	8.0
95.08603	11.9
97.06528	18.8
97.10168	15.5
98.97543	1.1
98.97802	0.9
98.98463	10.0
99.04442	1.0
99.08109	4.6
101.61980	1.0
105.07029	7.7
107.04944	2.9
107.08594	48.5
109.06500	1.6
109.10161	10.0
111.04428	1.2
111.08089	4.3
111.11749	0.9
117.07017	7.1
119.08586	11.8
119.71485	0.9
121.06491	2.4
121.10145	12.1
125.09624	3.3
130.07806	1.7
133.10129	6.0
135.11691	100.0
137.02289	1.7
137.05911	1.3
137.09598	3.4
139.07562	1.1
139.11136	1.2
143.08543	1.7
145.10124	17.9
151.11179	1.0
153.12711	3.7
157.06523	1.1
163.11183	13.7
163.13341	0.8
181.06464	1.3
181.12228	18.2
199.07635	1.6
199.13297	1.2
214.57713	1.5
223.12213	4.5
227.06897	1.2
245.04707	0.9
246.16415	0.9
255.06541	24.3
255.15892	85.2
255.21211	3.4
255.25110	2.2
256.26456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01872	3.0
55.05507	25.6
56.96568	3.5
57.03439	53.8
57.07081	14.3
58.06590	1.9
65.03930	2.6
67.05507	82.2
69.03419	3.2
69.07072	23.0
69.61362	13.8
71.01350	7.9
71.04980	8.6
71.08614	1.9
79.05495	74.1
80.81925	1.9
81.03413	10.2
81.07061	37.3
83.04982	29.2
83.08610	9.0
85.02934	3.0
85.06528	8.7
89.37952	1.9
91.05482	29.2
93.07047	84.0
93.07632	4.6
95.04982	10.2
95.08604	15.5
97.06536	20.5
97.10181	16.6
98.98465	27.4
99.08084	4.0
105.03391	17.4
105.07018	8.6
107.04947	3.0
107.08596	52.1
109.06545	5.7
109.10169	10.6
111.04437	4.0
111.08077	4.2
111.11664	2.6
111.16985	2.1
117.07011	8.9
119.08608	14.1
121.06506	5.0
121.10148	13.9
123.04404	2.6
123.11675	2.0
125.02348	5.0
125.09626	6.0
127.03929	3.1
133.10104	5.7
135.08055	3.8
135.11697	100.0
137.02373	3.8
137.09622	3.5
143.08536	2.7
145.10120	16.8
149.13202	2.5
150.80753	2.0
153.12761	2.5
163.11218	14.0
172.39162	2.0
181.06508	5.8
181.08611	4.0
181.12201	18.0
199.07620	5.7
199.09659	8.7
223.12311	4.4
227.07066	5.8
246.11543	2.3
255.06546	58.0
255.09091	5.2
255.15907	87.2
256.26346	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	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.01875	5.5
55.05265	1.6
55.05516	24.6
57.03442	43.8
57.07062	5.1
65.03951	1.9
67.05508	69.4
69.03439	6.3
69.07075	24.9
70.14388	4.8
70.24189	1.1
71.01350	5.4
71.04988	6.0
71.08604	1.2
73.02901	2.2
79.05501	70.3
81.03413	13.1
81.07063	37.8
83.04986	38.5
83.08611	6.9
85.02908	2.5
85.06557	5.6
91.05491	30.2
91.16352	1.2
93.07052	77.1
95.04980	7.5
95.08616	15.1
97.02893	2.3
97.06544	23.8
97.10172	14.7
98.97598	1.9
98.98463	8.7
99.04465	3.2
99.08096	3.7
105.07058	8.5
107.04952	3.0
107.08604	55.0
109.06524	3.3
109.10158	11.0
111.04440	10.1
111.08050	3.1
111.11749	1.3
117.07056	6.6
119.08566	9.5
121.06520	3.7
121.10147	11.3
123.08054	1.6
125.09626	4.8
127.03915	1.9
129.06920	1.5
130.07774	1.9
131.08577	1.3
133.10156	6.1
135.08150	6.3
135.11699	100.0
137.09625	3.8
145.05055	1.2
145.10136	18.7
153.12759	3.4
163.07550	2.9
163.11171	13.4
167.10641	2.7
171.11638	1.8
180.95248	1.0
181.12245	15.5
199.07590	1.4
199.13266	1.4
201.23158	1.3
223.12398	2.2
227.07236	1.6
255.06482	18.6
255.08542	1.6
255.15919	87.7
255.21149	3.7
256.26312	1.8
277.19125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05303	0.3
55.05549	0.8
56.96601	1.0
57.03469	0.2
57.07120	0.3
63.31765	0.2
65.74895	0.2
67.05542	0.5
69.03477	0.6
69.07099	0.6
69.73447	0.5
69.73877	0.8
70.06630	0.5
71.01361	0.3
73.02962	0.2
79.05539	1.0
80.05073	0.3
81.03455	0.4
81.07110	0.8
83.05024	0.2
83.08631	0.6
85.02944	0.7
91.05481	2.5
93.05795	2.4
93.07122	0.4
95.08659	0.4
96.04536	0.8
97.02940	0.4
97.06549	0.3
97.10265	0.4
98.21471	0.6
98.97653	0.9
98.98471	3.3
98.99033	0.3
103.03975	0.3
103.05556	0.2
105.07045	0.4
106.06555	5.9
107.07375	0.5
109.02910	0.3
109.06584	0.4
114.17609	0.3
116.98681	0.3
117.05791	0.3
118.06546	0.5
119.04988	0.3
120.08135	0.8
121.02898	0.3
121.06582	0.3
123.05621	0.9
124.03951	3.1
126.78098	0.2
130.06520	2.7
131.05016	0.3
131.06097	1.1
131.07190	0.2
132.06837	0.4
137.02336	0.5
137.06024	1.0
143.08578	0.3
145.07622	0.5
152.06154	0.3
153.05820	0.2
153.07088	0.9
154.07764	0.3
156.08000	0.3
158.99699	0.3
165.07060	0.4
167.07205	0.8
167.08592	0.3
168.06862	0.5
168.08179	0.4
169.07632	0.4
171.09184	1.2
176.98915	0.3
178.06505	0.7
178.07855	0.5
179.08611	0.6
180.08063	1.7
181.07642	2.7
181.08905	0.4
182.05223	0.4
182.08333	0.3
182.09731	0.6
183.09207	1.7
184.09932	0.4
191.05708	0.7
191.07323	0.6
193.07556	2.0
194.09720	15.8
195.09145	3.6
196.07762	0.4
196.11197	0.7
197.10759	0.5
198.04692	0.3
199.07587	1.2
204.08130	0.9
205.08920	0.6
206.09685	8.0
207.09175	6.4
208.09961	16.4
216.35440	0.2
220.05502	0.4
221.10748	8.5
222.11542	1.7
223.12305	100.0
224.13042	4.3
227.06952	0.8
255.06491	4.9
255.12172	2.5
255.14902	25.9
256.08160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
57.03446	3.0
59.05005	0.5
61.02909	0.8
69.03426	2.0
70.13850	1.1
71.01355	1.0
73.02929	2.1
78.03455	0.9
80.05023	2.1
84.96684	0.2
85.02908	2.4
87.04498	0.3
94.93053	0.4
96.04493	0.5
97.02901	0.7
106.02926	6.1
110.07179	0.8
115.03925	1.5
123.05562	100.0
124.03958	2.7
124.05861	0.3
133.04985	2.6
136.26668	0.2
136.94043	0.2
182.74727	0.3
192.93076	0.4
201.09959	0.2
228.04532	0.2
255.06406	0.7
255.08827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1016
Annotation	7-Methoxyflavanone
Peak:m/z	Relative Intensity
53.03944	0.9
55.01861	0.8
55.05505	1.0
56.96569	0.9
57.07071	1.5
65.03956	1.2
67.05500	2.0
69.03390	0.8
69.07063	1.5
71.08631	0.8
71.56632	1.1
79.05493	3.6
81.03423	0.9
81.07057	1.6
83.04965	1.7
85.06553	0.7
88.62974	0.7
91.05503	3.5
93.07041	1.4
95.04956	4.6
95.08601	1.7
97.06513	1.1
98.97546	1.1
98.97803	0.8
98.98473	10.6
100.31194	0.8
103.05474	21.8
105.07053	0.8
107.04922	1.6
107.08562	1.0
111.04439	2.8
119.08669	0.7
121.06535	2.1
123.04437	1.1
124.59365	0.8
127.03947	0.9
131.04936	37.1
131.05928	1.8
133.10138	0.8
135.11676	1.2
137.02330	1.0
137.06007	0.8
143.08510	1.0
149.02333	0.8
149.06010	1.4
151.03912	64.4
153.05518	0.9
162.05411	0.9
163.11143	1.0
165.07034	1.1
166.07730	1.4
169.04951	3.4
177.05515	4.4
178.07744	1.3
181.06520	1.0
194.07262	2.8
197.05920	0.9
199.07545	2.6
203.09329	1.0
205.06534	1.0
209.09633	12.8
209.11729	2.6
219.20607	0.7
223.12279	2.6
227.07001	3.0
227.10585	1.7
237.09065	3.8
240.07841	5.0
255.06609	15.8
255.10182	100.0
255.21097	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	255.1017
Annotation	7-Methoxyflavanone
Peak:m/z	Relative Intensity
51.02383	0.3
53.03936	0.7
53.06144	0.3
55.05498	0.4
65.03945	1.0
67.05503	0.8
69.07053	0.4
69.85372	1.4
77.03963	0.4
79.05497	2.7
80.55328	0.3
81.07062	0.4
91.05492	1.7
95.04976	8.7
98.98473	2.6
103.05474	32.2
105.03419	0.3
107.04946	2.2
108.02088	0.9
111.04459	0.3
121.06502	1.4
123.04469	1.4
125.13377	0.3
130.80428	0.3
131.04936	49.9
132.78523	0.3
144.08136	0.4
149.05984	2.4
151.03911	79.8
165.07010	1.0
166.07774	1.7
167.08597	0.4
169.04994	3.2
177.05499	4.6
177.06963	0.4
178.07794	1.8
179.08585	0.6
181.10025	0.3
185.09692	0.3
194.07304	4.4
195.08017	0.7
197.06004	1.2
199.07571	0.5
205.06540	1.1
209.09627	18.5
212.08221	0.3
213.09145	0.8
222.06781	0.8
223.07605	0.4
223.12363	0.4
225.05537	0.3
227.10686	1.7
237.09108	4.7
237.11342	0.4
240.07808	6.9
255.10173	100.0
256.10330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0655
Annotation	5,3'-Dihydroxyflavone
Peak:m/z	Relative Intensity
55.01871	0.3
55.05504	0.4
56.96548	0.6
57.07061	0.2
61.52660	0.1
65.03941	0.4
67.05491	0.6
68.99787	1.9
69.03423	0.5
69.07072	0.3
70.90944	0.4
71.05014	0.2
72.08147	0.6
79.05470	0.5
81.03403	0.6
81.03850	0.2
81.07048	0.7
82.56386	0.2
83.04953	0.2
83.08643	0.3
91.05489	2.3
93.07027	0.5
95.01330	0.3
95.04920	0.3
95.08603	0.5
97.06539	0.4
98.97543	0.4
98.98476	2.1
103.05470	0.2
105.03366	0.5
105.07053	0.2
106.96805	0.2
107.08591	0.6
108.65710	0.2
109.02865	0.4
109.06455	0.2
109.10216	0.2
111.04459	1.0
115.05432	0.2
116.96730	0.2
119.04956	3.0
119.08556	0.3
121.02891	0.6
121.03983	0.2
121.10150	0.2
123.04357	0.2
123.05627	0.2
123.11673	0.2
127.03912	0.3
128.06218	0.3
129.07040	0.2
131.04933	0.4
131.08575	0.3
133.02934	0.2
133.06451	0.2
135.08095	0.2
135.11717	0.3
137.02348	8.5
137.03427	0.4
137.05867	0.2
141.06947	0.5
143.08551	0.2
145.02855	4.4
145.10115	0.2
147.11700	0.2
152.06212	0.3
153.06967	0.4
155.03410	1.7
155.08580	0.2
157.06544	0.2
157.10175	0.2
158.99637	0.2
159.11691	0.2
165.07001	0.5
167.08569	0.5
169.06471	0.4
171.08105	0.5
177.06918	0.2
181.06459	1.0
184.05280	0.2
191.07033	0.3
195.08061	1.0
199.07544	1.6
208.09895	0.2
213.05482	0.2
214.57816	0.3
216.06677	0.2
219.13931	0.2
223.07574	1.3
223.12267	1.2
226.06549	0.2
227.07072	1.4
230.59041	0.2
255.06532	100.0
255.21651	0.5
256.06897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0654
Annotation	Daidzein
Peak:m/z	Relative Intensity
51.45653	0.2
51.77575	0.2
55.01869	0.4
59.84533	0.2
62.91237	0.2
65.03932	0.4
65.74948	0.2
68.99790	0.3
69.69328	0.3
69.99950	0.9
74.93871	0.2
79.81168	0.2
89.03902	0.2
91.05491	3.0
105.03406	0.2
119.04961	1.1
121.02862	0.5
125.95394	0.2
128.06239	0.9
129.06989	0.9
133.02835	0.8
137.02341	7.2
143.08531	0.5
145.02875	1.4
149.02335	0.6
152.06201	0.5
153.06985	2.1
157.06525	1.7
160.68979	0.2
171.08037	1.4
181.06483	4.4
182.07376	0.5
184.05298	0.5
185.05991	0.4
197.05809	0.3
198.06854	0.2
199.07553	12.9
209.06038	0.9
211.07637	0.4
227.07027	5.6
237.05515	2.5
252.86041	0.2
255.06529	100.0
256.06879	0.4
270.30020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11860	5.0
63.30817	5.4
71.54441	6.2
77.79398	5.3
86.37291	5.4
112.89613	100.0
114.89400	8.0
145.35707	5.7
175.94131	6.4
176.93504	13.9
181.96211	18.1
241.56335	5.4
243.14398	4.8
255.00429	6.3
255.06284	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0641
Annotation	Daidzein
Peak:m/z	Relative Intensity
50.50724	0.2
55.01880	0.3
56.96535	0.2
65.03928	0.3
68.99787	0.6
69.43059	0.5
69.43472	0.7
81.03414	0.4
90.51787	0.1
91.05483	2.9
98.21460	0.3
98.98440	0.3
105.03426	0.2
115.05431	0.2
119.04927	1.2
121.02854	0.6
121.06455	0.2
128.06189	0.9
129.07014	0.8
131.04915	0.4
133.02824	0.9
134.03616	0.2
137.02345	8.5
141.06984	0.4
142.22302	0.1
143.08589	0.9
145.02881	1.5
149.02379	1.0
152.06213	0.5
153.06996	2.5
157.06519	1.5
165.07022	0.4
169.06479	0.3
171.08049	1.5
181.06480	4.6
184.05200	0.6
185.05934	0.4
195.08043	0.2
197.05986	0.6
198.06807	0.2
199.07556	12.5
200.35284	0.2
209.05893	0.5
211.07576	0.4
212.04662	0.3
212.08243	0.4
213.05504	0.2
223.12373	0.3
227.07033	5.0
227.10570	0.3
237.05460	2.4
240.07643	0.3
255.06525	100.0
256.06940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01000	1.3
59.17717	1.4
61.02913	6.1
70.43250	4.4
71.01341	6.0
71.23992	1.4
75.04475	19.1
83.20512	1.5
87.04449	5.5
88.38412	1.5
89.02386	2.9
91.05484	2.6
103.03944	20.5
131.03423	5.2
147.17024	1.6
151.07539	3.5
159.02905	48.0
187.02399	6.1
219.05016	100.0
254.08720	2.2
254.11600	3.2
254.14067	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17112	1.1
59.40096	1.0
61.02915	4.1
62.05001	1.0
63.55610	1.0
70.25311	1.0
70.94701	2.2
70.95048	1.4
71.01347	4.5
75.04482	13.4
87.04462	3.9
89.02387	1.3
93.85365	0.9
97.90242	1.0
103.03946	16.2
121.06552	1.6
131.03412	4.6
137.02367	1.9
159.02895	44.6
187.02386	3.3
219.05013	100.0
234.95877	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1178
Annotation	Clathryimine A
Peak:m/z	Relative Intensity
53.03949	0.1
53.66408	0.1
55.01865	0.2
55.33058	0.1
56.96557	0.5
58.06595	0.2
61.02918	0.1
64.49321	0.1
69.03428	0.4
70.06583	0.3
71.55951	0.1
72.08144	0.2
75.04477	0.2
79.05492	1.5
80.05010	0.3
81.03413	0.2
81.07037	0.2
84.04494	0.2
84.08144	0.3
85.02891	0.2
87.04472	0.4
89.02442	0.2
91.05479	2.0
93.05777	0.3
93.07069	0.2
94.06588	0.2
96.08149	0.2
98.97553	0.3
98.98476	0.6
100.46075	0.1
103.03941	0.4
103.05448	0.2
104.05013	0.2
105.07030	1.1
106.06546	1.1
108.08120	0.6
116.98628	0.3
117.05788	0.2
118.06554	1.0
119.04958	0.6
119.07305	1.6
120.08120	0.5
123.04381	0.2
124.03995	0.1
124.07597	0.8
128.98593	0.2
130.06560	0.2
131.04919	0.2
132.08075	0.4
133.05203	0.2
134.06004	0.9
134.09676	0.4
135.04440	0.3
136.07603	0.6
137.05994	1.4
141.06982	0.2
144.08069	0.2
145.05234	0.2
146.06030	0.4
147.04408	0.3
148.07556	0.3
149.04477	0.2
150.05522	0.1
153.06987	0.2
155.08565	0.2
159.02930	0.6
161.08327	0.2
161.18123	0.1
162.05499	1.4
162.09209	0.3
163.06284	1.0
164.07074	0.4
164.10745	0.4
165.06989	0.9
166.07806	0.6
167.07213	0.3
167.08595	0.5
168.08057	0.1
169.08817	0.2
174.05536	0.2
175.06349	0.5
176.07111	0.3
178.07777	0.3
178.12268	1.1
179.08582	0.7
180.06592	5.3
180.08130	0.4
181.06561	0.1
181.10133	0.5
182.09566	0.2
183.08037	0.2
183.10394	0.2
188.07074	0.4
189.07024	0.4
190.07646	1.1
191.08562	8.0
192.07980	0.3
193.08891	1.4
194.07300	0.2
196.07600	0.2
197.08382	0.2
199.06313	0.5
201.07832	0.6
204.13849	7.1
206.08090	0.3
206.09666	0.6
207.06577	0.2
207.08194	0.4
207.10214	0.1
208.07681	0.5
208.11238	5.4
209.09717	0.4
211.07559	0.5
212.07013	1.3
213.07741	0.2
214.08673	0.7
215.09435	0.4
218.07779	0.3
219.05032	1.6
219.08084	4.7
220.07547	0.3
221.08408	0.4
221.10561	0.2
222.09082	0.4
223.12294	0.5
224.07108	1.4
224.10724	0.2
225.07828	5.6
226.08723	0.9
226.12224	0.5
227.02332	0.2
229.07529	0.2
234.09230	0.4
235.09933	0.3
236.06897	0.3
236.10789	6.0
236.12724	0.4
236.16415	1.9
237.09221	4.2
237.11516	0.8
238.08638	3.1
239.06967	0.2
239.09428	5.7
252.10213	6.1
253.10948	0.5
254.11798	100.0
255.12172	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01872	5.8
55.05504	3.6
56.05037	2.7
56.96567	27.4
57.03423	2.1
58.06608	4.0
59.01388	2.3
59.04998	1.7
61.02934	13.2
69.03442	3.9
70.06588	8.1
70.53857	3.9
70.54202	2.1
71.01357	50.4
73.02926	6.5
74.06105	2.8
75.04480	10.9
79.05503	2.8
81.03420	2.3
81.07053	4.1
83.06090	2.4
84.04519	2.2
84.08150	6.2
84.96050	3.1
85.02917	7.5
86.09735	2.1
87.04469	2.5
91.05495	6.0
93.04546	4.1
93.07058	3.2
95.06084	5.8
96.04588	1.6
97.02882	4.6
98.06087	3.3
98.97563	9.6
98.98499	3.1
99.00816	1.9
101.00915	3.3
101.02364	4.0
103.03954	20.3
105.07010	2.2
106.06503	1.8
107.04975	1.8
110.07163	21.0
111.00807	3.7
112.07654	2.2
112.96734	5.3
113.02389	6.0
114.05506	1.7
115.03913	2.3
116.03452	3.3
116.98651	3.7
117.01842	7.3
119.01921	3.1
119.03397	2.5
119.04956	3.7
121.06487	2.2
123.04642	1.9
123.05562	11.1
125.02326	1.9
127.00249	2.4
127.03928	2.2
128.98682	2.4
129.01863	4.9
129.10294	1.7
130.06567	2.4
131.01929	3.9
131.03418	42.9
131.04901	2.1
133.03488	2.1
133.04999	7.0
136.06174	4.4
136.07585	2.6
137.06024	10.0
137.07915	3.3
141.01852	7.3
143.03470	3.6
145.01456	3.1
145.03564	2.5
145.04977	14.7
148.07620	2.3
151.07520	2.0
157.03673	3.3
157.04971	23.6
159.02910	100.0
163.06119	2.4
163.12289	10.1
164.07014	4.1
172.97643	2.1
173.04526	4.4
174.41458	2.0
176.05661	2.9
176.07069	2.6
178.08649	10.2
180.05206	2.0
182.02481	6.8
182.09624	3.8
183.10396	2.4
185.03009	2.9
187.02466	2.5
190.13475	3.2
191.05508	18.2
191.08470	3.7
192.10208	21.4
193.08922	2.4
194.08188	4.7
194.09671	6.3
195.11423	4.9
195.57840	2.9
196.07661	3.0
196.11362	2.4
201.03995	4.1
204.58466	5.8
208.04848	2.2
208.07608	2.0
208.09686	6.6
208.14426	13.2
210.09120	8.1
211.09897	9.8
213.58948	4.2
217.57390	2.2
218.08220	3.8
219.05017	93.3
221.10770	4.2
222.09161	6.7
222.59422	7.5
223.09999	3.3
223.12303	7.5
224.10406	1.8
226.12288	4.1
226.57857	4.6
230.98283	2.5
231.03546	3.2
236.09183	6.2
236.12851	5.4
237.06021	8.8
238.08667	7.8
239.09482	5.5
248.99222	5.7
253.62259	2.7
254.05206	4.1
254.11800	60.5
254.14742	18.4
267.00113	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	253.1435
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03948	3.3
55.01871	6.2
55.05509	9.5
56.96562	1.9
57.07080	2.7
65.03946	1.8
67.05509	16.5
69.03432	8.2
69.07068	13.5
71.04993	13.0
71.56487	2.6
79.05497	27.3
81.03407	3.2
81.07060	55.9
83.04999	8.2
83.08619	5.6
85.06538	5.3
91.05485	27.0
93.07048	52.4
95.04978	18.9
95.08611	25.3
97.02884	2.1
97.06543	17.4
98.98474	82.3
99.04466	9.3
101.06030	2.8
105.04529	1.5
105.07034	34.1
107.04959	6.9
107.08596	26.0
109.02895	2.3
109.06531	34.9
109.10174	5.4
111.04404	2.0
111.08082	5.7
113.06013	6.9
115.05450	2.2
116.99512	1.9
117.07030	5.4
119.04963	4.9
119.08585	19.7
121.06512	84.8
121.10131	5.5
123.04436	8.8
123.08080	6.2
123.11710	2.0
125.06002	5.5
127.07555	11.3
127.11175	2.2
128.06244	2.3
129.07033	2.9
131.08580	6.9
133.06500	6.7
133.10121	18.0
135.04422	5.6
135.08066	19.7
135.11722	2.8
137.05994	10.8
139.07539	34.4
141.05495	3.9
141.07024	3.2
142.07787	3.9
143.07047	3.8
143.08580	9.6
145.06590	2.0
145.10144	9.9
147.08073	5.3
147.11690	36.3
149.09583	2.4
149.13272	1.9
151.07582	2.5
151.11159	1.7
153.09117	2.4
156.09331	3.5
157.08749	2.8
157.10127	16.5
159.08041	2.2
161.06065	3.1
161.09689	2.2
161.13252	13.6
164.07088	7.0
165.07031	2.1
165.12741	9.7
166.07767	1.5
171.11688	16.4
173.09665	2.8
173.13232	1.5
174.99208	2.1
175.11177	31.1
176.98868	1.8
177.07872	10.5
181.10237	3.6
184.08856	2.4
189.12779	27.8
191.14349	1.7
193.12270	23.5
197.11691	2.4
199.11183	36.4
202.64420	1.5
207.13818	10.9
210.06801	2.1
211.13219	2.6
217.12254	100.0
230.07808	2.1
235.10927	3.5
235.13295	60.8
235.16830	2.4
244.60501	1.8
250.36710	1.8
253.05026	6.3
253.08731	2.7
253.12016	25.3
253.14386	45.8
253.62105	3.2
262.32986	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88658	0.5
55.05504	1.5
56.96556	0.9
57.03429	0.9
57.07072	0.9
67.05509	4.1
69.07057	1.5
71.04990	0.7
71.56811	0.9
79.05495	2.6
81.03400	0.5
81.07062	7.1
83.04974	0.9
83.08624	1.3
89.06082	0.5
91.05488	6.2
92.05820	0.7
93.07034	3.3
95.05009	0.7
95.08617	5.0
97.02908	0.8
97.06535	1.3
97.10148	0.7
98.98475	33.9
99.04485	0.8
105.07040	2.6
107.04940	1.0
107.08636	2.8
109.02942	0.7
109.06506	1.6
109.10175	2.2
111.08142	0.7
116.99548	0.7
117.06975	0.6
119.04965	2.1
119.08598	2.4
121.06531	2.3
121.10169	1.7
123.04462	0.6
123.08060	1.0
123.11708	0.7
131.08612	0.7
133.10153	2.0
135.08093	0.8
135.11722	1.0
137.06007	5.2
138.06316	2.3
143.08655	0.6
145.10126	0.6
147.11699	2.5
151.07507	0.7
154.05849	0.7
157.10181	0.9
161.13301	0.8
164.07027	4.4
165.12793	1.5
171.11504	0.9
174.99240	0.7
175.11143	0.8
175.14848	0.8
176.98965	1.0
177.07866	4.1
189.12723	0.7
193.12315	0.8
197.11761	0.8
199.11203	0.7
209.20958	1.3
210.06842	1.2
217.12305	2.3
217.19534	0.9
221.10983	0.7
223.07687	0.6
225.09256	0.5
230.07912	0.7
235.13266	2.0
236.13712	5.0
238.09927	0.8
253.08940	3.5
253.12068	7.5
253.14177	100.0
253.62151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1437
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03940	1.8
55.01859	3.1
55.05506	5.8
65.03935	1.4
67.05507	10.0
67.05836	1.5
69.03409	4.1
69.03748	1.2
69.07066	7.4
71.04996	7.1
71.56924	1.4
77.03913	1.4
79.05497	23.6
81.07059	43.0
83.04962	4.3
83.08611	2.8
85.02901	3.7
85.06527	4.4
88.18997	1.0
91.05489	16.1
92.23093	1.1
93.07047	40.0
95.04980	12.0
95.08606	19.2
97.02884	3.1
97.06528	16.6
98.98468	21.5
99.04459	10.2
101.84990	1.0
105.07037	27.0
107.04938	7.6
107.08598	19.1
109.05794	2.0
109.06523	37.2
109.10149	3.7
109.68268	1.2
111.04424	2.0
111.08078	4.2
113.06020	2.9
115.05444	1.4
117.06996	3.6
119.04977	2.4
119.08591	17.2
121.06510	100.0
121.10126	2.8
123.04419	4.3
123.08100	6.9
125.05966	4.1
127.06902	0.8
127.07570	8.7
127.21713	1.1
128.06227	1.4
129.06958	5.4
131.08580	3.6
133.06474	3.9
133.10143	8.3
135.04448	6.0
135.08047	7.8
135.11612	1.4
137.05981	4.5
139.07536	15.2
142.07793	4.2
143.06999	1.8
143.08557	12.1
145.06502	1.5
145.10124	7.6
147.08057	6.1
147.11691	25.3
149.59413	1.2
151.07516	1.7
155.08546	1.9
156.09335	4.6
157.06461	2.0
157.08772	1.6
157.10124	13.6
159.07993	2.6
160.08978	1.3
161.05960	2.9
161.09576	1.8
161.13269	12.7
164.07115	2.1
165.06987	2.9
165.12749	4.9
166.07793	5.1
171.07990	2.3
171.11679	19.4
173.09581	2.6
173.13365	1.3
175.11179	18.0
177.07819	4.5
178.07780	2.3
181.10147	6.2
182.07164	1.9
184.08852	2.0
189.12769	25.0
193.12233	16.2
195.08003	3.5
199.11189	33.3
207.13788	12.0
211.13191	1.5
217.12247	92.5
221.09468	1.4
222.10379	4.7
223.07387	1.7
235.13304	48.0
238.09850	4.7
241.05240	1.6
253.08260	3.3
253.12086	20.0
253.14384	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	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01856	3.8
55.05515	12.8
56.96551	3.8
57.03439	7.0
57.07089	0.9
58.06580	0.8
60.04520	2.0
61.02932	10.2
67.05470	1.2
69.03436	18.8
69.88580	4.2
70.06582	4.7
71.04987	2.9
72.08145	3.4
73.02934	5.2
73.06560	68.6
74.06097	1.4
81.03421	7.2
81.07040	1.0
84.04490	2.0
84.08125	3.2
85.02908	100.0
86.09679	1.2
87.04439	2.7
91.03975	3.9
91.05473	1.0
97.02287	1.3
97.02902	22.1
98.06009	1.3
98.21413	1.0
98.97601	3.3
98.98470	36.9
99.04460	4.3
101.02386	1.1
103.03930	1.3
109.02888	8.6
110.07143	3.0
112.07604	1.9
115.03886	1.3
116.98610	1.1
120.08116	13.7
123.04435	3.5
127.03921	21.0
129.10240	0.9
136.06216	2.3
136.07571	1.4
137.05949	3.0
137.22844	0.9
145.04968	25.3
146.99617	1.0
150.05539	5.7
155.04688	1.1
162.05501	1.0
163.06032	4.9
164.06950	1.1
165.04298	1.0
165.05511	1.5
166.08597	1.0
174.99248	1.5
176.98882	0.9
197.11723	1.7
212.07722	1.2
221.10744	1.4
236.12802	2.7
238.08818	1.0
252.99979	1.0
253.12782	2.5
253.15509	3.6
254.11864	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	252.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.05513	3.4
56.96545	0.5
57.07068	0.5
58.06594	0.7
62.56758	0.4
69.07075	3.3
70.17149	0.7
70.17571	1.0
71.55502	0.3
72.08145	2.5
73.06567	0.5
79.05495	0.4
79.74819	0.4
84.08156	0.5
86.09689	1.4
88.44257	0.3
90.06229	0.3
91.05480	2.5
98.97601	0.4
98.98442	1.0
103.05470	1.3
105.07034	2.1
105.63091	0.3
115.05447	2.6
117.07028	15.1
118.06571	1.7
119.04977	1.8
121.06509	0.4
123.04430	1.3
129.07025	1.7
131.04956	2.6
133.06534	0.8
137.05981	10.7
143.04951	1.7
143.08592	0.7
145.06491	28.2
146.06012	5.4
147.04434	1.8
148.05202	0.9
149.04793	0.5
149.05989	7.3
151.07542	1.5
155.05997	0.6
157.06467	1.5
160.05162	0.7
161.05997	14.0
162.05521	0.7
162.06752	0.5
163.06516	1.1
163.07553	29.2
164.07080	39.4
171.11642	0.6
175.07564	8.6
177.07851	1.5
180.10211	26.8
184.08765	0.4
189.09068	1.2
192.07365	1.3
199.11174	1.5
205.12408	0.4
208.13419	2.8
216.13867	0.5
217.12250	10.7
234.14906	15.2
235.13313	0.8
252.15965	100.0
253.12170	1.1
253.16281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35856	0.6
53.03942	1.1
55.01868	2.5
55.05523	6.7
56.05032	0.9
56.96564	6.3
57.03437	4.5
57.07052	0.9
60.04512	2.0
61.02934	6.2
67.05504	2.3
69.03438	12.5
69.07037	0.6
70.02956	0.7
70.06598	5.9
70.98141	1.3
71.01373	1.1
71.04993	1.5
72.08156	3.7
73.02930	4.3
73.06560	26.7
74.02509	0.6
74.06072	1.3
79.05477	1.2
81.03420	4.4
81.07056	1.7
83.06115	0.6
84.04507	2.8
84.08163	4.5
85.02909	69.7
86.09708	2.8
87.04482	1.6
89.06016	0.9
91.03981	3.1
91.05462	2.1
93.07035	1.5
94.06586	3.2
95.04992	1.4
95.06097	0.6
97.02905	16.4
98.06048	0.7
98.60787	0.6
98.97599	5.4
98.98473	30.4
99.04462	2.6
102.96885	0.8
103.03951	1.9
103.05463	4.8
106.05033	0.9
106.06581	0.7
109.02880	6.3
110.06042	0.8
110.07171	4.5
110.97543	0.8
112.07619	1.8
116.07076	0.9
116.98616	2.8
116.99432	0.7
118.06524	0.6
119.01830	1.4
119.04947	1.2
120.08112	100.0
120.97918	0.7
121.02896	0.7
122.06045	2.4
123.04410	1.3
123.08064	0.6
124.00754	1.1
124.03975	0.7
127.03918	12.8
128.98531	0.7
129.10240	2.3
130.06497	0.8
134.06029	0.7
134.99541	0.8
136.06200	0.9
136.07547	3.1
137.06003	2.4
139.03920	1.4
142.01750	1.0
145.04964	16.7
146.99559	0.9
147.04436	1.2
150.05510	33.1
152.07162	0.8
155.04631	1.3
156.07658	0.8
158.99577	1.6
162.05513	2.5
163.06061	3.1
164.07167	0.7
165.05580	1.1
168.06630	1.7
174.99210	0.7
177.00687	0.8
181.06613	0.6
186.04533	1.5
186.96790	0.7
190.04993	1.4
193.08868	0.8
194.53558	0.9
197.11635	0.8
198.00754	0.8
204.54985	0.7
206.98279	0.7
207.08228	0.9
207.11356	0.9
209.12642	0.8
210.09056	1.2
211.01031	1.1
211.09846	0.9
212.02383	1.2
212.07722	1.3
221.10805	0.9
223.09813	0.9
226.12076	0.8
230.03404	2.7
230.05418	1.0
236.05679	1.1
239.09569	0.8
253.08658	3.3
253.11671	7.2
254.11795	7.0
254.14331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.5
69.07083	0.6
70.80343	0.6
73.53567	0.3
77.03913	0.3
77.15400	0.2
79.05495	1.5
84.04510	31.2
85.02883	0.4
86.40420	0.2
88.04001	0.5
91.05477	1.1
97.06535	1.2
98.06876	0.7
98.98471	0.4
102.05549	0.6
103.05469	1.1
105.07037	100.0
106.07396	0.3
119.04995	0.4
121.56914	0.3
122.09676	39.0
130.05008	3.9
134.04544	0.5
137.06015	1.5
188.10707	0.4
191.08575	0.5
192.78319	0.2
197.80334	0.3
205.13362	6.3
234.11259	26.0
251.10733	0.7
251.13954	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	251.1393
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
51.38689	0.3
58.06157	0.3
69.95694	1.2
72.08160	26.3
85.08486	0.4
89.03926	2.7
89.10799	19.4
98.06098	0.6
98.98463	2.6
107.04985	1.2
115.08730	1.3
117.03382	5.9
135.03406	0.7
135.04428	12.0
144.08931	0.5
145.02853	12.5
145.04008	0.6
163.03915	100.0
177.07773	0.6
178.08235	2.2
190.65848	0.3
206.11862	2.0
207.12122	11.5
234.11263	14.9
251.13934	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	252.0866
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
54.02041	0.4
60.52116	0.5
65.03931	1.0
69.20938	4.5
69.21336	0.6
70.02942	3.1
74.02439	22.5
81.07090	0.7
88.03990	43.4
91.05482	100.0
94.04162	0.5
97.94041	0.6
98.20697	0.8
102.65498	0.5
116.03461	13.0
116.04270	0.8
134.04491	60.5
136.06183	7.5
136.07295	0.8
136.07603	0.8
137.06029	0.8
139.94328	0.4
146.05937	0.6
155.67780	0.5
164.07098	0.5
180.10193	0.5
206.08110	2.1
233.97406	0.5
234.07669	5.7
234.13507	1.1
252.08556	2.1
252.11050	0.6
252.11996	0.6
252.14191	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	250.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94902	0.5
55.01835	0.6
56.00325	0.6
56.05017	1.5
56.96547	1.2
57.03409	0.6
60.04528	10.4
60.07415	0.6
61.02899	2.2
68.05000	1.2
69.07040	0.9
69.90561	2.3
70.06577	1.3
71.08646	5.7
73.02887	0.7
73.82911	0.5
74.06081	4.6
84.04507	1.4
84.08111	2.4
85.02886	1.3
86.06046	1.1
88.03962	1.7
88.11269	7.2
97.06513	1.0
98.06070	3.2
98.20854	1.1
98.97543	0.7
98.98436	1.8
100.11242	1.3
102.05550	13.7
112.11222	0.7
115.03978	0.8
116.07090	5.4
120.06551	2.1
121.06498	0.8
126.05516	0.8
130.05118	0.5
130.08612	0.6
130.12286	27.7
131.08537	1.1
134.08125	2.6
136.06194	9.2
137.05908	0.9
140.10689	0.9
142.12262	1.7
143.08543	1.5
144.06569	0.9
154.12236	2.3
158.08163	1.2
158.11682	0.8
159.08076	1.0
160.05237	1.1
160.13303	2.2
161.05988	2.1
161.09567	0.6
162.05530	1.2
163.03854	0.6
163.06253	0.6
163.07500	0.9
164.07111	3.6
164.10747	0.7
171.06642	0.8
171.08070	1.4
172.13342	5.0
176.07019	0.8
177.07855	19.4
177.09315	1.4
178.12126	0.6
180.08679	0.7
184.53444	0.5
188.03244	0.6
188.10718	2.3
189.09123	2.0
190.14394	45.0
205.10605	0.7
206.11775	80.7
218.13982	0.6
219.01904	0.6
232.13383	2.1
232.15498	5.7
233.11684	2.4
250.14331	28.2
250.16565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94537	1.0
55.01882	1.4
56.96571	4.6
57.03433	3.2
58.99872	1.5
61.02931	11.0
66.01992	1.1
69.03430	2.8
70.98116	1.6
70.99858	1.9
72.08158	12.0
74.06093	1.7
76.78242	0.9
81.03436	1.6
82.01453	20.1
83.00808	0.8
84.04510	2.3
84.08152	2.6
85.02921	5.4
88.03976	1.2
88.99172	1.1
89.10805	6.7
91.02478	1.9
91.05431	1.1
93.07037	0.9
97.02885	3.2
98.97620	2.3
98.98475	72.5
100.02494	41.3
101.00886	1.3
103.00639	1.7
103.52721	0.9
104.05342	1.2
105.03732	3.9
107.04976	1.3
116.98660	1.5
116.99490	1.5
117.03368	2.4
118.01052	0.9
118.03529	12.9
119.01913	4.7
121.01711	3.0
122.06381	2.8
124.95496	1.0
126.98796	8.8
128.98610	0.9
131.01907	1.4
133.03461	3.5
135.03445	1.1
135.04387	5.0
141.01323	2.8
143.01917	0.9
144.99847	19.5
145.01799	1.3
145.02907	3.8
145.10271	0.9
146.99683	1.8
147.01379	2.1
148.02042	1.4
148.03920	2.1
150.00377	3.7
150.01765	1.8
154.97050	1.0
154.98282	3.8
156.05109	1.2
157.02559	5.1
159.01382	1.9
161.01164	1.2
161.02931	1.7
161.05621	2.6
163.00929	1.8
163.02713	1.8
163.03900	33.8
168.01459	14.9
172.08421	1.1
172.99335	36.2
173.00853	2.1
174.99197	4.6
175.00764	2.1
175.02643	1.0
176.93610	1.7
177.02464	7.2
177.07822	1.5
177.99796	4.8
178.08278	4.4
183.02275	1.3
186.02542	1.2
187.00902	5.6
187.10934	1.3
188.97133	1.1
189.00705	1.0
190.01410	1.1
191.00404	18.9
191.02057	1.6
191.04002	1.6
196.00940	100.0
205.00238	1.8
205.01965	6.2
206.11777	2.9
207.12134	22.5
210.02371	4.6
212.02739	1.3
214.01979	31.6
219.02562	4.9
223.03082	1.1
228.03551	49.3
232.99617	1.5
233.03267	1.5
234.11194	5.4
242.03610	1.2
246.04655	3.3
251.05051	3.3
251.10367	3.5
251.14342	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	250.144
Annotation	Ruspolinone
Peak:m/z	Relative Intensity
51.22876	0.5
53.03935	1.1
55.01876	2.3
55.02272	0.6
55.05516	1.2
57.03448	0.7
67.05499	1.5
69.03434	0.9
69.07071	10.4
69.26434	5.8
69.26765	1.5
71.10922	0.7
79.05498	9.1
91.05490	8.9
91.63165	0.6
97.02885	0.6
97.06538	95.4
98.00360	0.6
100.33330	0.7
106.02901	1.1
107.04973	1.9
109.06516	1.2
111.28115	0.5
115.05473	0.6
116.21365	0.6
117.07011	1.9
119.04961	7.0
119.37309	0.6
121.06534	1.4
124.03973	0.9
126.56333	0.6
129.06961	0.7
131.04878	1.1
133.06508	1.0
135.04431	1.7
137.05984	60.1
144.79242	0.6
145.06458	3.5
147.04416	6.2
149.06004	6.4
152.05710	1.7
162.05507	1.0
163.03914	1.8
163.07573	2.6
169.10178	0.8
173.06067	1.3
181.04982	2.8
187.11090	0.9
189.09143	7.5
191.06987	4.6
205.12239	0.9
210.61287	0.9
215.10718	2.3
219.12444	0.8
224.41170	0.6
233.11737	100.0
250.14424	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	250.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71365	0.4
55.01881	2.8
57.03431	0.5
67.05499	1.2
69.03413	0.6
69.07069	9.4
71.51193	0.8
79.05495	10.5
81.03407	0.6
86.68869	0.6
91.05480	10.0
97.06535	89.0
98.97583	0.7
107.04960	1.1
109.06506	1.2
119.04958	7.7
126.92520	0.6
129.86418	0.5
135.04417	1.6
137.05983	56.4
147.04405	5.1
149.05991	2.3
163.03937	2.6
177.05450	1.2
179.08542	0.9
182.18932	0.5
189.09113	7.4
194.76263	0.6
196.00290	0.6
205.12364	0.7
207.08017	1.3
215.10617	1.2
225.69228	0.6
233.11731	100.0
234.12088	1.2
235.07487	2.5
250.10152	4.1
250.14372	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	250.144
Annotation	Ruspolinone
Peak:m/z	Relative Intensity
55.01874	3.6
57.06231	0.5
67.05503	1.6
68.60194	0.4
69.03444	0.6
69.06721	0.6
69.07075	8.4
71.52707	1.0
79.05500	8.3
91.05490	9.7
97.06538	100.0
107.04954	1.0
119.04951	7.8
133.06519	0.8
135.04460	1.4
137.05988	60.7
147.04410	5.5
149.05995	1.4
179.08548	1.9
189.09103	6.5
207.08060	1.1
215.10744	1.0
233.11743	82.6
234.12140	0.6
235.07640	2.8
235.09714	0.7
250.10248	5.9
250.12300	1.8
250.14415	20.4
273.50412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.144
Annotation	Peyophorine
Peak:m/z	Relative Intensity
53.03905	0.3
54.24731	0.2
55.01870	0.3
56.05023	0.3
56.45702	0.2
56.96553	0.6
57.03445	1.2
59.54755	0.2
61.02930	3.2
61.04018	0.3
66.74034	0.3
69.03430	1.2
70.06574	0.8
70.07843	1.0
70.98147	0.3
71.04991	0.3
72.04509	0.4
72.08132	0.9
73.02882	0.6
74.06055	0.6
81.03401	0.9
82.01429	0.5
82.06585	0.3
83.05045	0.2
84.04488	0.6
84.08147	5.8
85.02904	1.8
87.04446	0.5
89.10794	0.3
91.05470	0.7
97.02898	1.4
98.21598	0.3
98.97587	1.4
99.97973	0.3
100.02479	0.7
101.00863	0.5
102.00948	0.3
102.05533	0.3
103.05450	0.3
105.06999	0.4
106.52888	0.2
107.04919	0.5
109.02865	0.4
113.08392	0.2
115.02390	0.3
116.98651	0.5
117.07042	0.4
118.03469	0.3
119.01883	0.8
119.08514	0.2
120.02116	0.3
121.06475	0.5
123.04420	0.9
124.03960	0.3
127.03924	0.5
128.03401	0.4
128.06224	0.5
130.04137	0.3
130.05022	0.5
131.01848	0.4
131.04897	0.3
131.08557	0.7
133.03532	0.3
133.06458	0.4
135.04388	0.5
136.29356	0.3
137.02698	0.3
137.05969	1.1
143.08572	2.0
144.99745	0.3
146.04897	0.3
146.06012	0.3
147.05013	0.4
148.05205	0.5
149.04797	0.6
149.05978	0.7
149.97420	0.3
151.07545	0.4
152.40034	0.3
153.88814	0.3
156.05505	0.4
159.08051	1.2
160.05168	1.5
160.11211	1.2
161.05984	3.2
162.05499	1.1
163.03931	1.9
163.06303	1.6
164.07079	3.5
168.99751	0.3
171.08017	2.2
172.06119	0.4
172.99197	0.6
173.06017	0.5
174.06738	0.5
176.07074	0.8
177.07858	24.8
177.09081	1.1
178.08623	0.7
178.12152	0.3
179.10640	0.3
185.02991	1.3
187.00931	0.4
188.10738	2.2
189.09059	1.5
190.01189	0.5
191.04062	0.5
191.09410	0.3
196.00941	1.2
204.10205	0.7
205.10579	0.4
206.11774	100.0
214.01978	0.4
215.10736	0.4
217.02180	0.3
217.07463	0.5
227.04050	0.5
228.03583	0.6
232.09851	0.6
232.13431	0.4
232.15511	0.3
249.99033	0.3
250.10431	1.1
250.14407	42.3
251.14369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.144
Annotation	Peyophorine
Peak:m/z	Relative Intensity
50.05947	0.3
56.05037	0.4
57.03431	0.4
58.06601	0.3
69.95512	1.2
81.07069	0.3
84.08146	3.7
88.07653	0.5
91.05495	0.7
115.05499	0.3
117.07069	0.3
123.04456	0.7
128.06204	0.6
131.04887	0.5
131.08594	0.8
137.06010	0.3
143.04909	0.3
143.08583	2.2
145.06476	0.3
147.04405	0.3
147.66849	0.3
149.05946	0.5
151.07458	0.5
151.23720	0.3
159.08055	1.0
160.05156	1.4
160.07593	0.3
160.11212	1.3
161.06007	2.4
161.09685	0.4
162.05513	1.4
163.06349	0.6
164.07082	3.8
168.22896	0.3
171.08054	2.6
174.06702	0.6
176.07115	0.8
177.07864	26.8
178.08617	0.8
179.10663	0.5
188.10706	2.3
189.09108	2.1
204.10144	0.7
206.11777	100.0
217.07332	0.4
250.14407	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	248.1649
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
56.96564	0.4
58.06592	0.3
67.05504	0.3
69.07056	0.2
69.36516	1.4
79.05486	0.3
81.07061	0.2
85.02883	0.3
91.05479	0.7
92.05846	0.2
93.07044	0.3
98.97589	0.6
105.07032	0.3
109.06548	0.2
115.80750	0.2
116.98602	0.2
118.06548	4.3
119.07336	0.2
119.08559	0.2
121.02882	0.3
121.06481	0.5
131.07323	0.3
131.53232	0.1
132.08093	2.4
133.08870	0.5
134.09680	0.4
137.05966	0.7
144.08087	0.4
146.09651	1.5
158.99722	0.2
160.11229	0.5
161.05934	0.2
164.07065	0.2
165.07388	0.2
168.77203	0.2
172.11327	0.2
174.12814	0.8
176.14365	11.0
185.09550	0.2
190.08653	10.3
202.15932	1.8
203.10803	0.8
203.16623	0.9
204.10214	5.4
205.10957	1.2
206.11792	0.2
216.08774	0.3
216.58997	0.2
218.11763	4.5
219.12531	0.3
219.30774	0.2
220.13365	0.2
230.11752	0.4
232.13351	0.5
235.15909	0.2
241.03854	0.4
247.62347	0.4
248.16475	100.0
249.16806	0.4
268.10406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	8.4
69.83618	36.9
69.83929	6.7
85.30808	6.2
94.92989	31.8
98.21481	8.6
98.97595	21.1
152.77962	6.7
248.89661	9.0
249.03706	100.0
266.02115	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	250.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.2
56.72166	0.6
57.03436	0.9
66.37022	0.5
67.05518	1.3
69.06715	1.1
69.07071	10.4
71.04990	0.6
71.52327	0.9
79.05499	9.8
91.05486	9.8
97.06537	100.0
102.51640	0.6
104.54491	0.5
104.85282	0.6
107.04967	0.8
109.06552	0.8
112.46156	0.5
119.04961	7.3
127.89746	0.5
133.06508	1.3
135.04414	1.6
136.05296	0.5
137.05984	64.0
145.06535	1.0
145.71059	0.5
145.72211	0.5
147.04393	4.1
149.05948	1.3
151.71198	0.5
155.74397	0.5
157.26471	0.5
170.01245	0.6
179.08609	2.1
189.09100	8.0
191.10556	0.6
207.08029	1.2
215.10529	0.9
218.07321	0.7
233.11736	95.6
234.11951	0.6
235.07652	3.6
249.09242	0.8
250.10188	8.1
250.12227	3.1
250.14406	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	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82946	0.8
70.21691	3.6
72.08164	1.3
73.75563	0.8
74.43127	0.8
84.49457	0.9
98.72315	0.8
100.84488	0.7
101.00896	2.0
119.01945	2.1
215.00357	1.0
229.03197	23.4
247.04272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Cannabispirone
Peak:m/z	Relative Intensity
51.02407	0.9
53.03947	10.2
55.01858	3.0
55.05509	2.4
57.03428	2.5
58.06599	0.8
65.03935	2.4
67.05495	2.9
69.03424	4.1
69.07060	1.1
71.05006	6.3
71.55683	1.0
72.08151	1.2
73.06561	1.2
77.03935	1.6
79.05496	55.4
79.10774	0.7
81.03400	2.1
81.07063	16.0
91.05486	33.2
93.07067	1.7
95.04969	9.8
96.05753	0.9
97.06519	2.4
98.97588	1.1
103.05476	3.9
105.04514	3.1
105.07043	10.0
107.04964	12.3
109.06545	0.9
111.08073	6.8
113.04167	1.0
115.05444	2.4
116.06253	1.5
116.07102	1.3
117.07020	4.9
119.04945	17.4
121.06504	3.4
123.04457	1.7
126.05534	1.4
128.06207	3.3
129.07031	2.7
130.06883	1.8
130.07814	1.2
131.04915	4.7
131.08580	4.4
132.05684	1.9
133.06493	23.3
133.10103	1.4
135.04419	16.8
136.05211	0.9
137.05980	56.7
141.06995	3.6
143.08546	1.5
144.05704	2.1
145.06490	7.7
146.06197	0.9
146.07242	3.8
147.04437	8.9
147.08022	1.6
149.05980	7.6
151.07570	1.2
153.07016	1.5
154.07822	2.4
157.06494	2.3
158.07278	3.2
159.04457	1.1
159.08078	7.9
160.05251	1.2
161.05992	2.9
161.09625	32.1
161.69826	0.8
163.07549	2.1
164.07051	4.0
169.06479	1.0
169.10146	2.5
171.08064	2.4
172.08833	1.7
173.05988	7.2
173.09627	2.5
174.06769	2.6
175.07587	2.0
185.09567	1.2
186.06857	1.6
187.07582	7.2
187.11180	4.0
189.07069	5.9
189.09122	34.3
194.25385	0.8
197.09578	3.2
199.57394	2.4
200.08360	1.4
201.09093	0.9
202.09958	1.8
215.10684	53.9
215.58623	8.5
216.08932	1.4
216.10973	0.8
217.06496	4.0
219.08115	1.1
219.10210	1.7
222.59439	1.6
230.08507	1.6
231.59921	4.6
235.07518	1.5
238.60635	2.0
239.10756	1.1
240.88551	0.9
247.07991	6.0
247.13329	100.0
248.16313	0.9
262.08713	1.0
267.10223	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1442
Annotation	Hypaphorine
Peak:m/z	Relative Intensity
60.08167	63.0
70.11563	1.8
85.98979	0.4
91.05466	2.1
103.52202	0.5
114.45411	0.5
115.05421	1.1
117.05773	0.6
117.07028	1.8
118.06548	28.7
126.06733	0.5
134.23337	0.6
137.05972	2.1
142.06543	2.7
142.22925	0.5
143.07324	3.2
144.08098	14.8
144.09230	0.8
146.06017	74.5
160.07495	0.7
164.07176	0.7
170.06041	5.9
188.07076	100.0
189.07471	0.7
215.58630	1.7
216.23376	0.4
224.08705	0.4
231.59877	0.9
234.48756	0.5
247.12038	0.9
247.14413	6.0
256.88879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05501	3.3
56.05027	2.5
56.96566	39.5
57.03429	1.6
58.06601	15.6
61.01152	1.5
61.02920	1.1
65.03947	0.9
67.05494	0.8
69.03416	2.6
69.07069	3.7
69.89296	2.7
70.02940	2.8
70.06590	3.6
70.98124	68.5
71.05014	0.9
71.95258	1.7
72.08151	2.1
73.02921	1.4
74.02429	3.0
74.97606	3.6
79.05493	1.5
81.03411	1.0
81.07053	1.8
81.99976	0.8
82.94590	0.7
83.08619	4.6
84.04495	3.2
84.08150	1.4
85.02898	2.7
85.06575	0.9
86.09710	28.3
86.97610	1.3
87.04500	0.7
87.05585	1.1
87.10043	2.4
88.03996	10.2
88.99162	43.0
91.05476	3.6
95.04974	0.8
96.08120	2.0
97.02892	1.8
98.02399	1.3
98.97587	21.5
100.99110	1.1
101.00848	1.0
103.05461	1.0
104.05351	2.5
107.00195	7.7
107.04967	1.2
109.00505	1.1
109.02879	0.9
110.02399	2.9
112.01019	1.1
113.10759	1.7
114.03754	0.8
116.07114	5.2
116.98611	7.0
118.01058	1.2
119.01750	1.7
121.01619	1.1
121.02824	1.5
121.06480	0.8
123.04461	1.1
124.07580	9.6
127.03918	1.8
128.02301	5.2
128.98607	45.0
130.04979	1.4
132.10211	11.5
133.01538	1.4
133.10553	1.2
134.99661	2.0
137.05978	3.4
141.10243	3.6
145.01518	1.5
146.99655	100.0
153.01814	0.9
154.02054	2.4
156.10226	0.9
158.04358	1.0
158.99649	3.1
163.02605	2.0
164.07082	1.8
165.00726	79.5
166.08629	4.4
170.01271	4.2
173.06056	1.3
174.99171	1.8
175.02596	5.1
177.00713	2.6
177.07912	1.1
182.99724	1.0
183.00244	1.2
183.01781	8.1
183.07695	0.9
184.03122	8.4
184.09706	1.4
186.99158	5.5
187.10847	1.8
188.02359	2.2
188.06958	1.1
191.11798	2.7
193.00293	1.3
194.75987	0.8
195.01706	1.2
199.57545	1.0
200.02473	0.7
201.00668	1.8
201.12338	16.0
201.14197	1.1
203.10858	1.4
204.10129	1.1
205.00209	65.5
212.09177	4.0
215.58655	1.8
219.01891	1.0
222.10898	0.8
223.01262	49.0
224.02354	1.8
224.09863	1.7
226.12747	1.1
228.01836	2.3
229.11917	1.9
230.08104	2.0
238.09677	4.2
238.60692	2.7
241.02362	0.9
247.01210	3.3
247.04289	2.4
247.06297	2.4
247.10199	8.4
247.12813	5.4
248.12808	1.3
265.02347	1.8
265.48883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.4
57.07072	4.2
58.19452	1.3
59.68964	1.3
67.05516	8.8
69.07076	13.6
69.10231	1.3
69.54428	2.3
69.54827	6.8
70.21386	1.2
70.36638	1.2
70.91957	1.2
75.95012	1.1
77.83463	1.4
79.05483	3.5
80.94846	2.1
81.07068	20.6
83.08633	7.0
88.39664	1.3
91.05515	6.1
91.06020	1.2
93.07043	13.4
95.08614	24.0
97.10194	2.9
105.07039	12.9
107.08610	20.7
109.10162	20.8
119.08599	16.2
121.10160	14.5
123.11714	11.7
133.10143	15.7
135.11713	12.4
137.13289	7.0
147.11705	9.2
149.13278	14.6
151.14862	1.4
161.13290	12.9
163.14842	16.7
174.26300	1.1
175.14827	20.4
177.16380	2.4
187.14896	1.8
189.16396	19.1
196.83038	1.2
202.17166	1.4
203.17992	7.9
208.60515	1.2
217.95979	1.2
222.92830	1.2
245.13519	1.7
245.22678	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.6
69.52637	0.7
69.53041	0.3
70.06601	1.1
70.06927	0.2
71.08642	0.8
81.19196	0.1
88.07638	1.4
102.09183	0.4
106.08666	0.7
118.06540	5.7
119.07334	0.2
127.29691	0.1
132.08089	1.7
133.08893	1.0
134.09633	0.5
146.01331	0.1
146.09642	1.9
147.10443	0.4
148.11249	0.2
161.12039	0.2
176.14346	38.4
177.14871	0.2
188.14343	0.6
202.15848	0.9
203.16692	0.5
216.17459	0.6
228.23201	0.6
246.22154	100.0
246.24287	7.9
247.22496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05501	3.3
56.05027	2.5
56.96566	39.5
57.03429	1.6
58.06601	15.6
61.01152	1.5
61.02920	1.1
65.03947	0.9
67.05494	0.8
69.03416	2.6
69.07069	3.7
69.89296	2.7
70.02940	2.8
70.06590	3.6
70.98124	68.5
71.05014	0.9
71.95258	1.7
72.08151	2.1
73.02921	1.4
74.02429	3.0
74.97606	3.6
79.05493	1.5
81.03411	1.0
81.07053	1.8
81.99976	0.8
82.94590	0.7
83.08619	4.6
84.04495	3.2
84.08150	1.4
85.02898	2.7
85.06575	0.9
86.09710	28.3
86.97610	1.3
87.04500	0.7
87.05585	1.1
87.10043	2.4
88.03996	10.2
88.99162	43.0
91.05476	3.6
95.04974	0.8
96.08120	2.0
97.02892	1.8
98.02399	1.3
98.97587	21.5
100.99110	1.1
101.00848	1.0
103.05461	1.0
104.05351	2.5
107.00195	7.7
107.04967	1.2
109.00505	1.1
109.02879	0.9
110.02399	2.9
112.01019	1.1
113.10759	1.7
114.03754	0.8
116.07114	5.2
116.98611	7.0
118.01058	1.2
119.01750	1.7
121.01619	1.1
121.02824	1.5
121.06480	0.8
123.04461	1.1
124.07580	9.6
127.03918	1.8
128.02301	5.2
128.98607	45.0
130.04979	1.4
132.10211	11.5
133.01538	1.4
133.10553	1.2
134.99661	2.0
137.05978	3.4
141.10243	3.6
145.01518	1.5
146.99655	100.0
153.01814	0.9
154.02054	2.4
156.10226	0.9
158.04358	1.0
158.99649	3.1
163.02605	2.0
164.07082	1.8
165.00726	79.5
166.08629	4.4
170.01271	4.2
173.06056	1.3
174.99171	1.8
175.02596	5.1
177.00713	2.6
177.07912	1.1
182.99724	1.0
183.00244	1.2
183.01781	8.1
183.07695	0.9
184.03122	8.4
184.09706	1.4
186.99158	5.5
187.10847	1.8
188.02359	2.2
188.06958	1.1
191.11798	2.7
193.00293	1.3
194.75987	0.8
195.01706	1.2
199.57545	1.0
200.02473	0.7
201.00668	1.8
201.12338	16.0
201.14197	1.1
203.10858	1.4
204.10129	1.1
205.00209	65.5
212.09177	4.0
215.58655	1.8
219.01891	1.0
222.10898	0.8
223.01262	49.0
224.02354	1.8
224.09863	1.7
226.12747	1.1
228.01836	2.3
229.11917	1.9
230.08104	2.0
238.09677	4.2
238.60692	2.7
241.02362	0.9
247.01210	3.3
247.04289	2.4
247.06297	2.4
247.10199	8.4
247.12813	5.4
248.12808	1.3
265.02347	1.8
265.48883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	Ile Ile
Peak:m/z	Relative Intensity
61.27707	0.2
68.12914	0.2
69.07067	0.4
70.33585	0.6
70.33968	0.5
71.62611	0.2
86.09713	100.0
86.74041	0.3
87.10076	0.2
91.05484	0.3
132.10211	3.8
132.24892	0.2
176.71944	0.2
199.18074	1.8
245.10637	0.2
245.13628	0.7
245.18637	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	245.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22990	0.5
52.13077	0.5
53.03960	0.9
55.01861	1.9
55.05494	0.8
55.93541	0.9
56.96570	7.2
57.15453	0.5
58.06571	0.7
61.02941	0.9
67.04221	0.6
67.05499	0.6
68.05023	0.9
69.03429	2.8
69.07093	1.1
69.49181	3.7
70.02943	0.9
70.06595	8.0
71.04986	0.8
71.08638	16.8
71.87596	0.6
72.08144	0.8
72.93792	3.2
73.02928	0.9
74.64665	0.5
79.05493	1.3
81.03432	1.2
81.07062	1.6
82.06593	0.8
83.04974	1.4
84.04523	2.6
84.08143	2.2
84.96049	0.8
85.02905	3.2
86.06072	2.3
86.09717	3.6
87.04459	0.8
87.05593	1.1
88.11275	100.0
90.94836	2.3
91.05503	1.4
93.07091	0.9
94.06567	0.7
94.44436	0.5
96.08147	4.1
97.02901	1.8
97.48011	0.4
98.06064	0.7
98.21571	0.9
98.97601	5.3
99.04440	1.0
101.00909	0.6
104.07816	0.6
107.04983	1.3
109.02873	1.0
110.02429	0.9
112.02211	0.9
112.07623	4.3
113.02403	0.8
113.03493	4.1
113.96399	1.0
115.03969	0.6
116.07127	1.6
116.98609	2.2
119.01926	0.8
119.08631	0.7
121.02914	0.7
124.07598	23.5
127.03905	1.5
128.01624	0.7
128.98589	0.6
129.07005	0.8
129.10252	0.9
130.05022	2.0
131.01965	0.7
137.06020	0.7
139.03917	0.9
141.10252	0.9
142.01747	0.7
143.01904	0.6
143.11780	0.6
145.05032	0.6
146.99698	0.6
149.96146	3.0
153.01811	1.7
155.03474	0.6
156.04793	2.8
158.08125	5.7
158.99692	0.7
161.02977	1.5
166.08673	1.4
167.97220	2.3
172.97687	3.7
174.99149	0.9
176.03915	0.8
177.00798	0.8
181.06097	1.1
184.09781	1.2
185.01349	1.1
185.03000	1.1
185.04462	3.5
187.10844	0.8
188.97118	0.9
190.98817	1.4
199.02686	1.0
199.07352	0.7
199.09106	1.6
201.12349	1.0
203.02332	1.1
212.09235	1.6
213.00835	1.6
213.03912	1.2
222.04410	2.3
223.61346	0.6
227.02325	0.6
240.05481	1.3
245.05215	2.4
245.09978	4.0
245.11894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1384
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
54.69037	1.4
54.69300	1.4
55.01873	7.8
55.05510	72.7
56.96558	5.8
57.03194	1.9
57.03440	25.4
59.04986	3.8
67.05508	18.9
69.03430	9.3
69.07068	16.8
71.56165	1.8
79.05499	20.1
81.07050	16.8
82.35156	1.4
83.04968	4.6
83.08622	47.0
85.06519	1.7
86.09695	3.4
87.04428	1.5
88.60903	1.5
90.94821	1.5
91.05476	3.9
93.07033	8.2
95.08614	3.0
97.06520	2.3
97.10172	93.0
98.97581	33.4
101.09640	2.1
107.08601	25.9
109.10143	5.7
111.08051	4.2
112.99118	3.1
115.07620	1.8
116.98639	10.3
117.06953	2.4
123.04482	1.5
124.95432	2.1
125.09631	86.9
128.02359	1.3
131.00154	3.6
134.99634	2.5
135.08054	10.4
143.10704	8.5
144.08081	1.7
153.09105	7.2
158.99620	6.0
171.10191	10.7
172.97758	2.7
173.01234	4.0
177.00690	5.5
189.11215	91.8
191.02261	2.3
202.98743	1.7
227.10591	2.7
227.12764	29.9
245.08145	2.9
245.13835	100.0
245.22487	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	245.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36411	0.2
56.96568	0.4
58.06596	0.5
61.84873	0.2
69.07070	9.2
71.07581	0.5
86.09708	100.0
87.99852	0.2
91.05518	0.2
97.80225	0.2
98.97603	0.8
126.30753	0.2
132.10187	1.8
142.23509	0.3
151.14742	0.3
171.03279	0.5
182.90414	0.3
199.18121	1.1
245.18611	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	245.186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.3
56.96560	0.3
57.05803	0.4
58.06603	0.6
58.93130	0.2
68.16329	0.2
69.07069	9.6
71.55341	0.3
79.74357	0.2
85.02827	0.2
86.09706	100.0
92.52190	0.2
98.97581	0.7
107.04948	0.2
116.98648	0.2
132.10225	2.0
137.74921	0.2
141.02246	0.2
141.91232	0.2
171.03322	0.3
199.18124	0.8
201.52951	0.2
213.44997	0.2
229.15988	0.2
245.10677	0.4
245.18634	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	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98283	0.8
69.03421	0.7
69.81361	1.2
80.45580	0.3
81.03412	0.7
82.99837	1.7
84.99638	0.4
85.01402	0.5
86.99326	0.7
90.94825	0.6
97.01392	0.5
97.02888	1.3
98.20746	0.7
98.97582	0.8
99.04438	0.7
101.00879	17.0
102.00953	1.3
102.96863	1.8
103.00640	3.3
103.02473	0.5
105.32872	0.4
106.03639	0.3
113.00871	2.2
115.02430	1.7
118.98563	0.6
119.01921	24.8
120.02000	2.5
120.97923	0.8
121.01667	4.8
124.02347	0.3
125.00827	0.6
127.02412	0.9
127.03901	1.4
129.03954	0.6
131.01901	5.8
131.05516	0.8
133.03479	2.1
136.99699	0.7
137.00841	0.4
137.02946	2.6
138.03064	0.6
139.02464	1.5
142.03485	0.5
142.98589	0.9
143.01901	15.2
145.03447	4.4
147.01331	1.2
149.02948	0.6
149.96109	0.4
155.01877	2.6
157.03468	10.7
160.99689	3.9
161.02960	33.1
162.03049	0.7
163.04559	0.5
167.01862	1.9
169.03471	1.4
171.04984	0.7
172.97742	0.5
173.02966	7.0
175.04520	6.1
177.00964	0.7
177.02457	0.3
177.09677	0.5
177.26614	0.3
178.01048	0.7
179.00696	17.5
179.04021	1.4
180.04153	1.1
181.03462	0.5
182.66562	0.4
184.04607	0.7
184.99696	0.7
185.02959	14.5
187.04532	4.1
189.06081	0.4
191.04002	2.8
197.02965	2.2
199.04500	1.8
201.02588	0.4
203.00977	2.3
203.03999	15.8
203.11307	0.4
209.03027	0.4
210.44160	0.5
215.04008	4.6
217.05595	1.5
219.02005	0.9
219.03914	2.6
220.02184	0.4
221.01775	23.7
221.05162	1.6
221.12289	0.4
222.01860	1.2
222.05931	0.4
226.05693	0.4
227.00601	1.9
227.03946	4.3
233.05113	3.1
236.00449	0.5
245.01859	11.0
245.05061	26.7
245.12183	2.4
261.03122	0.7
263.02881	100.0
264.03064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28596	0.2
56.96532	0.2
58.92528	0.2
69.99996	0.7
81.47971	0.2
82.99852	0.8
98.97583	0.6
100.97234	0.2
101.00887	7.4
102.00949	2.2
103.00641	0.3
116.98639	0.3
117.98916	0.3
119.01928	16.9
120.02013	3.7
121.01640	0.5
124.02503	0.2
127.68026	0.2
134.99947	0.2
137.02962	2.6
138.03027	0.4
140.98784	0.2
141.98959	0.8
142.03503	2.1
143.01910	1.0
157.03441	0.4
158.99899	0.4
159.99995	3.3
160.04611	0.3
160.99681	0.3
161.02963	5.4
161.04321	0.3
166.99774	0.3
173.02977	0.3
175.04556	0.3
176.03185	0.3
177.00946	2.8
178.01051	15.6
179.00665	1.5
179.04015	5.0
184.00017	0.6
184.04604	0.9
185.02916	0.5
194.04204	0.3
196.02071	0.2
201.02573	0.3
202.01064	2.7
202.05605	0.8
203.00735	0.6
203.04021	0.8
210.98747	0.2
218.04181	3.6
219.02014	1.8
220.02133	21.5
221.01762	5.3
221.04869	1.1
226.01006	2.2
233.04935	0.2
235.00844	0.2
238.98398	0.9
244.02113	11.6
245.01868	0.5
245.05090	1.0
262.03207	100.0
263.02878	5.8
264.03552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83184	4.2
57.31871	4.3
58.33206	3.9
60.08167	7.2
61.41879	4.2
70.06591	4.4
71.55629	5.3
76.44979	4.7
91.88001	4.3
101.00908	6.1
104.10755	100.0
105.11131	7.4
117.91940	4.4
119.01959	5.7
161.71582	4.6
245.05061	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	242.9674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27068	0.2
56.12497	0.1
58.06342	0.1
58.06593	0.5
59.07368	0.1
60.08163	3.7
67.26349	0.1
69.36617	0.1
71.46002	0.2
83.30119	0.1
85.56281	0.1
93.06805	0.1
94.93012	1.5
104.10745	100.0
132.94505	0.2
134.92462	0.2
136.94035	0.2
152.93512	0.2
164.93535	0.2
166.95078	0.2
176.93544	1.6
190.17642	0.2
194.94669	0.2
206.94565	1.1
224.95627	1.5
242.96715	2.4
243.16902	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	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41443	0.1
56.96569	0.5
58.05796	0.1
69.41323	0.7
72.46351	0.1
82.99829	0.8
84.96035	0.1
98.20780	0.2
98.97585	2.7
100.85600	0.1
101.00881	6.3
116.98623	1.3
119.01919	9.2
122.31918	0.1
122.97784	0.2
134.99803	0.7
137.02950	1.0
140.98825	1.3
142.03505	0.1
153.00969	0.1
156.75377	0.1
158.99892	4.2
165.99710	0.3
175.03075	0.3
177.00952	18.0
178.01091	0.3
182.99849	1.0
193.04025	0.1
195.02097	0.2
197.00647	0.2
197.02954	0.3
199.03064	0.2
200.02551	0.2
201.00914	3.4
201.02391	0.3
202.01067	0.2
217.04079	3.0
219.02002	24.2
219.94431	0.2
220.02122	1.7
220.04245	0.2
221.02477	0.2
225.00798	2.1
227.99693	0.2
234.00677	0.5
242.03651	0.2
242.96437	0.2
242.98239	0.2
243.01984	12.0
261.03052	100.0
262.03278	1.3
263.03583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1177
Annotation	Carbazomycin B
Peak:m/z	Relative Intensity
55.05490	0.3
56.05012	0.7
56.96564	1.0
57.03426	0.2
57.07014	0.2
61.01162	1.1
61.02909	0.3
67.05475	0.9
68.05003	0.5
69.03420	0.6
69.07040	0.2
69.68915	1.2
70.06595	1.1
70.98097	0.5
72.08140	0.5
72.93758	0.2
73.02908	0.5
74.06090	0.3
74.73941	0.2
78.03800	2.1
79.05466	0.6
80.05007	1.2
81.03394	0.4
81.04541	0.2
82.06539	0.4
83.06104	0.2
84.04484	0.9
84.08112	0.8
85.02874	0.7
86.09679	0.3
91.05467	2.6
93.07025	0.3
94.06568	1.2
95.04986	1.2
95.07301	0.3
96.04484	0.4
97.02785	0.2
98.06009	0.2
98.97566	2.0
105.07005	0.8
106.06522	0.6
107.07323	0.3
110.06038	0.3
112.99173	0.2
115.05434	1.1
116.98602	0.6
117.05776	0.3
117.06978	0.6
118.06514	0.6
119.04964	0.3
119.07320	0.4
119.08547	0.4
120.08096	0.5
121.02880	0.3
122.06091	0.3
123.03571	0.4
123.04435	7.5
123.05326	0.5
124.03956	6.2
125.07100	0.3
127.03955	0.3
128.06221	1.2
128.98581	0.6
129.07030	2.7
129.10225	0.6
130.05006	0.4
130.06538	2.1
131.07349	0.5
131.08557	0.2
132.08067	1.0
133.08884	4.8
134.99586	0.3
137.05960	0.8
138.05505	0.2
141.06990	4.2
142.06520	0.4
142.07664	0.3
143.00168	0.3
143.07288	0.7
143.08551	1.5
144.08073	3.8
146.99683	0.4
151.07553	0.3
152.06178	0.5
153.00099	0.3
153.06973	1.2
154.06506	1.3
154.07768	1.8
155.04805	0.3
155.07266	1.5
155.08549	2.2
156.08096	3.5
157.08885	2.5
157.10086	0.3
158.09669	1.8
158.99614	0.6
161.04678	0.3
162.06781	0.5
164.07031	0.2
165.00774	0.3
165.05473	2.9
165.06978	0.8
166.07759	0.9
167.07245	1.3
167.08580	3.1
168.08081	6.1
169.08859	5.7
169.10172	1.9
170.02762	0.4
170.09650	8.5
171.10431	2.4
173.08263	0.2
177.00597	0.3
179.08517	1.1
180.08044	0.5
181.08850	1.4
181.10210	0.5
182.09662	19.6
183.10440	11.1
184.07625	0.2
184.11224	5.9
185.12004	6.5
186.12787	26.0
187.04381	0.3
194.09637	0.5
195.07771	0.2
196.04250	0.4
196.11218	9.0
197.12006	1.3
198.12781	51.1
199.09940	0.2
200.06961	0.4
200.10738	1.1
205.00015	0.3
206.09645	0.3
209.08437	0.7
212.10745	0.5
214.12270	13.6
218.96275	0.3
219.01758	0.8
223.12343	0.6
224.10770	3.1
224.12758	0.5
226.13870	1.0
233.10696	0.5
237.02866	0.8
242.11768	100.0
243.12093	0.6
260.04324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01872	0.3
56.05025	0.6
56.96573	1.1
57.03425	0.3
58.06601	0.4
67.05521	0.4
67.65705	0.2
68.05035	2.1
69.03423	0.2
69.07055	0.3
69.56605	0.4
69.56998	1.3
70.06591	1.0
72.08146	0.3
73.02909	0.5
74.02457	0.3
76.08911	0.2
78.03449	0.7
80.05019	2.9
81.03405	0.4
81.07047	0.2
81.96890	0.2
83.05627	0.3
83.06111	4.6
84.04512	0.6
84.08142	1.4
85.02917	0.6
86.09702	0.8
91.05460	0.6
95.04972	0.3
96.04499	1.9
98.97577	1.5
106.02921	2.2
107.04919	0.3
111.05566	1.2
116.07096	0.4
116.98592	0.7
117.41119	0.2
119.03444	0.8
119.04970	0.2
124.03960	100.0
125.04286	0.4
128.04582	0.3
128.98598	0.5
129.06657	0.4
129.10223	0.8
130.05057	0.3
130.06525	0.4
130.08665	0.2
133.08844	0.4
134.99722	0.3
137.06001	0.8
141.06947	0.3
141.10155	0.2
143.00105	0.2
144.08028	0.2
155.07318	0.2
158.99789	0.2
162.06740	0.2
164.06990	0.3
166.05052	0.5
167.08507	0.2
168.08136	0.5
169.08861	0.5
170.09676	0.6
175.04469	0.2
182.09634	1.8
183.10504	0.8
184.11272	0.5
185.11954	0.5
186.12807	2.4
191.05876	0.2
192.06534	0.5
194.07417	0.3
196.04294	0.3
196.06067	0.2
196.11278	0.6
196.14432	0.3
198.12791	4.0
198.15833	0.3
214.12259	1.2
219.01820	0.5
224.05692	0.3
224.09053	0.7
224.12704	0.3
225.16017	0.4
233.10866	0.3
237.02786	1.0
242.06639	21.1
242.09897	3.2
242.11839	7.4
242.15085	6.2
242.18744	0.6
242.21011	0.4
243.06387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.7
56.96549	1.8
57.03441	10.3
58.06605	9.7
59.06928	2.5
59.94695	1.5
61.02932	8.7
69.03425	3.1
70.06599	2.5
70.75624	3.7
70.98130	1.6
71.01353	5.1
71.04977	2.8
73.02928	8.2
75.04517	1.5
77.14753	1.5
79.15142	1.6
81.03418	1.7
83.01363	1.6
84.08115	3.7
85.02914	11.6
85.08477	3.1
87.04474	10.0
89.02387	2.7
97.02879	3.7
98.97598	2.0
101.00893	2.3
101.02386	14.9
103.03958	3.0
105.01808	2.0
109.02878	2.0
110.07195	2.3
113.00861	1.6
115.02463	2.1
115.03941	34.8
124.03947	3.4
127.03935	2.2
129.01859	24.0
129.04005	1.8
129.11070	2.5
133.03447	2.4
133.04964	3.7
142.85783	1.7
143.03397	19.9
146.04994	4.2
147.04990	2.4
148.02107	1.8
148.03902	2.4
155.05531	4.7
157.01349	29.9
157.02557	2.3
159.02943	1.7
161.03047	2.0
161.04453	19.6
161.05614	2.1
171.02902	3.1
172.99342	2.6
189.03963	100.0
196.00906	3.3
197.10017	3.2
207.05043	6.9
224.07652	4.2
225.06113	2.2
228.03694	1.8
239.65877	1.7
242.11726	5.2
242.15819	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
54.55582	0.2
55.05502	0.6
56.29979	0.2
56.96576	0.5
58.06603	13.6
59.24110	0.2
61.02918	0.8
70.06590	2.3
70.15176	0.9
72.08157	0.3
73.06544	0.3
75.54419	0.2
81.03413	0.6
81.08168	0.2
84.08147	8.0
85.02917	0.4
86.60526	0.3
95.45343	0.2
98.06064	0.4
98.09692	1.4
98.21441	0.3
98.97585	1.4
100.11254	0.2
114.05527	0.4
116.07101	0.3
116.98640	0.6
120.09218	0.2
124.11253	0.2
126.09161	0.4
128.10730	3.2
134.06023	0.4
136.07561	0.4
137.50244	0.2
143.01895	0.5
144.10214	1.0
147.05789	0.6
152.07045	0.3
161.02983	0.3
164.07092	5.9
168.10286	0.5
170.09605	0.5
177.00706	0.5
181.09679	0.6
184.11211	0.8
185.11998	0.5
196.09720	4.3
196.11411	0.5
198.09082	0.3
212.10715	0.6
213.11342	0.6
213.15927	0.3
223.10860	0.6
226.08582	0.3
240.10234	2.0
241.11006	4.4
241.15485	100.0
242.11699	0.4
242.15810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0861
Annotation	2',4'-Dihydroxychalcone
Peak:m/z	Relative Intensity
53.03959	0.4
55.01873	0.7
56.96573	1.5
57.07083	1.8
66.96851	0.3
67.05496	0.5
68.99785	2.2
69.03432	0.8
69.07065	0.6
70.03548	1.3
71.08607	1.0
79.05502	3.6
81.03416	5.1
81.07059	0.9
82.94562	1.0
83.08601	0.5
84.96021	0.8
85.10198	0.7
91.05475	1.5
93.07060	0.6
95.04995	0.6
95.08606	0.6
96.02171	0.6
97.02917	0.5
97.05908	0.4
97.06551	0.4
97.10164	0.4
97.67194	0.4
98.97587	6.8
103.05471	21.4
107.04946	4.2
107.08598	0.6
109.02834	0.5
110.97623	0.5
111.04438	1.0
116.98609	3.2
117.03370	2.3
120.98792	0.4
121.06523	0.3
127.03929	1.0
131.04932	39.9
134.99672	1.3
135.04408	2.3
135.11685	0.5
137.02345	85.0
139.40236	0.4
140.00220	0.8
142.72661	0.4
143.08531	0.9
144.98128	0.4
145.10120	0.5
150.24191	0.4
152.06216	1.0
153.07007	1.1
154.56622	0.4
155.03416	1.1
155.07390	0.5
155.08502	2.2
158.01250	1.2
158.99673	0.6
161.01125	0.4
162.06714	0.5
163.03911	4.6
165.07010	1.2
166.07793	0.5
167.08536	3.5
170.99687	0.5
171.08032	2.5
177.00697	1.2
177.07028	0.9
181.06535	1.3
185.13268	0.5
186.99127	0.5
188.08920	0.5
189.00693	0.5
194.92433	0.7
195.01852	0.6
195.08055	8.6
198.06789	0.5
198.99077	0.5
199.07610	1.2
208.60187	0.5
213.09175	1.2
223.07565	6.2
224.03976	0.4
226.06268	7.1
227.12617	0.6
241.08603	100.0
241.19557	1.7
242.08862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1223
Annotation	Obtustyrene
Peak:m/z	Relative Intensity
53.03945	0.5
65.03935	0.8
67.05501	0.2
69.23273	1.7
69.23671	0.3
79.05488	2.2
81.07050	1.3
86.25271	0.2
91.05482	24.9
94.04201	0.6
95.04967	0.4
98.20797	0.4
98.97589	0.5
105.03400	0.3
109.06516	7.7
115.05486	0.3
117.07024	4.5
137.05978	100.0
138.06348	0.4
163.07484	0.4
241.12224	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05492	0.4
56.96558	0.9
57.03437	1.2
58.06602	15.1
60.04553	0.2
61.02639	0.4
61.02930	4.6
69.03433	1.5
70.06595	3.3
71.05006	0.4
71.53949	0.3
72.08150	0.6
73.02906	0.8
81.03406	1.0
82.01447	0.5
83.01407	0.3
84.08144	7.8
85.02916	2.1
87.00836	0.3
91.05470	0.3
95.01353	0.2
97.02883	0.9
98.06077	0.5
98.09708	1.6
98.97579	3.0
99.04433	0.3
100.02461	0.5
100.11230	0.2
101.00888	2.2
102.00933	0.4
104.10792	0.3
107.04962	0.4
109.02861	0.3
112.07590	0.6
113.00864	1.0
113.02351	1.0
114.05531	0.4
115.02438	0.6
116.98608	1.3
117.01836	0.3
119.01927	3.2
121.06583	0.3
124.03944	0.7
125.07088	0.4
126.05546	0.6
128.10730	3.4
131.01898	2.0
131.02704	0.3
132.01718	0.3
133.03485	1.5
134.05995	0.7
134.99699	0.3
136.06186	0.3
136.07581	0.4
137.02919	0.5
137.05904	0.5
138.05322	0.2
141.02277	0.3
143.01891	1.0
144.10228	1.4
144.99741	0.3
145.03516	0.4
146.99594	0.3
147.01308	0.3
147.05760	0.9
149.02895	0.4
152.07091	1.3
157.03529	0.3
161.02972	0.6
162.06801	0.3
164.07069	6.2
166.02902	0.3
167.01959	0.3
168.10239	0.7
168.99762	0.5
169.03426	0.6
170.06078	0.3
170.09602	0.8
171.01469	0.3
172.99333	0.4
173.02913	0.6
173.08392	0.7
175.04465	0.3
177.00812	0.5
177.02412	1.0
181.01547	0.3
184.11154	1.2
185.02901	0.4
185.11967	0.5
187.00902	0.6
188.02483	0.3
189.02484	0.4
191.09425	0.3
195.03392	0.3
195.08357	0.3
196.03989	0.3
196.09709	4.5
196.11369	0.3
198.09067	0.6
200.04068	0.3
201.02487	1.4
203.04005	0.4
208.58391	0.3
212.10704	0.9
213.11458	0.6
213.16003	0.5
215.00369	0.8
215.09383	0.6
218.05223	0.5
218.08798	0.3
219.03552	1.4
220.03279	0.3
223.10835	0.9
224.09152	0.3
226.08598	0.8
236.04076	0.3
240.10210	2.5
241.11092	6.3
241.15475	100.0
242.11632	0.3
242.15797	0.3
247.02960	0.6
259.08401	0.8
261.08612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58939	0.2
55.05510	0.6
56.96573	0.3
58.06590	0.3
67.05497	0.6
69.07056	0.5
69.19214	2.1
70.06606	0.3
72.04515	0.8
74.06072	0.5
78.05473	0.2
79.05505	1.1
80.05016	0.3
81.07053	1.1
82.06597	0.4
83.08650	0.3
91.04902	0.2
91.05490	0.6
93.07055	1.3
94.06563	0.6
95.08617	0.8
96.08132	0.4
98.20715	0.4
98.97562	0.4
100.07610	0.3
107.04958	0.6
107.08593	0.6
108.08118	0.6
109.08937	0.5
110.09686	0.5
112.07602	0.6
112.20657	0.2
114.09169	0.4
120.68439	0.2
122.09663	0.9
123.10474	0.3
123.11732	0.3
124.07602	3.9
124.11189	0.3
126.09159	0.4
128.10733	0.5
135.11705	0.5
136.11229	2.1
137.13242	0.5
138.09143	0.7
139.09920	0.9
140.10693	0.6
142.12286	1.3
150.12761	1.3
151.13565	0.7
152.10718	1.4
152.14316	0.2
153.11484	1.0
154.12296	1.2
158.95370	0.2
162.05458	0.2
166.12296	3.5
166.15973	0.3
167.13113	1.8
168.13823	1.3
178.15894	0.4
182.09709	0.3
194.15437	1.9
196.16988	100.0
197.05952	0.3
197.17299	0.7
198.18565	1.5
210.09076	0.5
211.10060	0.2
212.10692	0.4
225.05536	0.4
225.07822	0.2
225.08818	0.2
240.07729	0.5
240.10100	3.8
240.19604	58.3
241.19846	0.3
247.27249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.086
Annotation	2',4'-Dihydroxychalcone
Peak:m/z	Relative Intensity
53.03946	1.1
55.01850	0.6
55.05513	1.4
56.96563	1.6
67.05506	0.9
68.99789	1.7
69.07077	1.7
69.48082	2.2
74.54460	0.4
79.05508	4.2
81.03410	3.6
81.07053	1.9
83.08620	1.0
85.06535	1.6
91.05492	3.1
91.92368	0.4
93.07046	1.8
95.04975	0.9
95.08611	2.0
96.02126	0.5
97.06567	1.0
98.97598	7.6
103.05474	20.6
105.03400	0.9
105.07073	0.4
107.04960	4.5
107.08621	0.6
109.02892	1.0
109.06532	0.5
109.10240	0.5
109.99366	0.4
111.04446	1.2
116.98610	3.6
117.03345	2.1
121.06532	0.7
121.10147	0.9
129.06964	0.5
131.04933	36.5
134.99649	2.2
135.04420	2.9
135.11687	1.0
137.02345	74.7
137.05946	4.0
138.02681	0.5
138.06352	0.8
140.00169	0.9
143.08562	0.9
149.01216	0.9
149.06033	0.8
152.06198	1.5
153.07019	1.3
155.03415	1.3
155.08582	2.8
157.06540	0.8
158.01263	1.1
158.99634	0.6
163.03899	5.7
163.06029	0.5
165.07045	1.2
167.08542	3.5
171.08067	2.4
176.91434	0.5
177.00728	1.5
177.07086	0.6
178.07669	0.6
181.06494	1.1
183.08398	0.5
194.07207	0.6
194.92523	1.3
195.01830	1.0
195.08063	7.5
199.07568	1.8
210.10587	0.6
212.93584	0.5
213.09158	0.9
217.00031	0.5
220.10313	0.9
221.11252	0.7
223.07571	4.7
226.06265	6.0
227.12775	0.6
240.61591	0.5
241.08604	100.0
241.19600	1.4
242.08916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98176	0.5
56.96559	1.2
57.07074	0.5
58.02272	0.5
58.06610	1.1
67.05503	1.1
69.07064	0.8
70.06577	0.8
70.93520	1.0
70.93841	0.6
71.04999	1.1
72.71996	0.5
81.07055	1.3
87.04515	0.9
89.06035	100.0
91.05485	0.5
95.06087	0.5
95.89192	0.5
98.97607	1.0
102.91678	0.5
107.07074	1.7
109.02895	0.7
109.10213	0.6
115.05450	0.7
123.04442	0.7
133.08607	38.6
137.05940	1.1
148.56793	1.0
151.09682	3.6
177.11197	4.2
195.12331	2.3
211.64342	0.5
221.10735	1.4
222.11440	0.9
237.10197	0.6
238.60814	0.9
239.09000	10.9
239.11830	7.9
239.14954	8.7
254.10652	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
56.05022	0.4
56.56049	0.3
67.05494	0.5
69.07063	0.4
70.04814	1.4
70.06594	0.5
72.04520	0.5
74.06078	0.7
79.05495	1.1
81.07075	1.4
91.05498	0.5
93.07042	1.1
94.06560	0.5
95.08598	1.2
96.08134	0.4
98.97581	1.2
105.07065	0.3
107.08580	1.0
108.08105	0.7
112.07581	0.4
114.09167	0.4
120.08121	0.3
122.09673	0.9
123.11662	0.4
124.07591	2.1
126.09164	0.4
128.10699	0.5
131.69078	0.3
133.10121	0.4
135.11714	0.7
136.11211	1.8
137.05952	0.5
137.13274	0.5
138.09123	0.8
139.09911	0.7
140.10698	0.5
142.12265	0.6
150.12772	1.2
151.13617	0.6
152.10716	1.8
152.14325	0.4
153.11453	1.1
154.12248	1.1
165.06833	0.6
166.12273	3.8
167.07295	0.4
167.13055	2.1
168.13841	1.1
174.07201	0.4
178.15866	0.4
179.10626	0.3
181.06451	0.7
182.06856	1.6
182.09697	0.4
187.06172	0.4
194.09760	0.3
194.13857	0.3
194.15402	2.0
196.16972	100.0
197.05980	0.5
197.08324	0.4
197.17308	1.0
210.06439	0.4
210.09175	1.0
211.09982	0.3
212.08644	0.4
212.10809	1.2
217.07217	0.5
223.07770	0.4
225.05501	0.7
225.07733	0.4
239.09341	0.3
240.07462	3.1
240.10211	8.8
240.19588	74.3
241.20020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36899	0.6
52.55072	0.6
55.05537	0.9
56.04984	0.6
56.96557	1.2
57.07081	0.8
58.06603	2.7
67.05507	1.4
69.07053	0.7
70.06599	0.9
70.33381	1.8
71.04967	0.8
79.05525	0.7
81.07056	2.0
84.08155	1.5
87.04461	0.8
89.06036	100.0
90.83094	0.6
91.05469	1.3
95.04982	0.6
95.08615	2.0
98.97582	1.2
105.07022	0.7
107.07085	1.7
125.33858	0.6
133.08612	40.1
134.30292	0.7
136.46782	0.6
137.05980	1.5
151.09698	3.0
163.03967	0.9
165.08929	0.6
177.11214	4.2
178.79510	0.6
195.12376	2.3
221.10747	2.2
237.10313	0.8
239.08972	18.4
239.11818	9.2
239.14948	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	237.1234
Annotation	ALANYL-dl-PHENYLALANINE
Peak:m/z	Relative Intensity
55.01884	0.6
56.96574	1.1
66.50504	0.6
69.40861	1.0
69.41262	3.9
84.04499	1.9
85.02917	0.5
86.00123	0.5
93.07058	1.2
98.97598	1.6
103.05454	2.2
105.07083	0.5
107.04967	1.4
110.97492	0.6
118.06618	0.7
120.08110	100.0
131.04915	2.8
139.34523	0.5
146.05986	2.1
148.04767	0.6
149.04941	1.1
149.06009	2.0
164.10815	0.6
166.08644	80.6
169.03220	0.7
191.11809	4.8
205.10503	1.3
216.18466	0.6
237.12395	8.7
237.14902	1.1
245.61023	0.6
246.10391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1181
Annotation	SU 5416
Peak:m/z	Relative Intensity
55.01879	0.1
55.05515	0.1
56.05034	0.3
56.96564	0.3
57.03415	0.1
57.07050	0.1
58.06607	0.7
58.06854	0.2
65.03943	0.1
67.05502	0.2
69.03418	0.1
70.06585	0.3
70.07237	0.5
70.07599	0.2
71.04989	0.2
79.05473	0.2
81.07059	0.3
83.08597	0.2
84.04499	0.2
84.08124	0.2
85.02921	0.1
86.07174	0.1
89.00700	0.1
89.02370	0.1
89.06006	0.1
91.05478	1.7
92.04984	0.1
95.08629	0.2
98.97585	0.3
105.07009	0.2
106.06564	0.2
109.10163	0.2
110.06068	0.2
117.05796	0.2
118.06558	0.3
122.87881	0.1
129.06982	0.2
130.06540	1.1
132.08098	0.4
141.06917	0.2
144.06871	0.2
145.07617	0.3
147.05492	0.2
152.06139	0.2
154.06483	0.3
154.07709	0.1
156.08116	0.3
157.07614	0.3
158.99698	0.1
165.06972	0.9
167.04599	0.1
167.07291	1.0
167.08597	0.3
168.06816	0.2
168.08101	1.1
169.08873	0.3
170.05997	0.2
170.09671	0.4
179.05948	0.2
179.07307	0.6
180.06566	0.1
180.08076	2.7
180.09415	0.4
181.07603	1.4
181.08942	0.3
182.08391	0.2
182.09685	0.9
183.06778	0.3
184.06274	0.2
184.11232	0.1
186.07872	0.2
190.06546	0.1
191.07249	0.2
192.06578	0.2
192.08212	0.7
193.07558	0.9
193.09059	2.2
194.08365	2.4
194.09697	2.4
195.09018	0.9
195.10541	0.3
196.07602	0.8
196.09682	0.2
196.11317	0.3
197.07047	0.5
198.09203	0.2
199.08684	0.9
200.09518	0.4
204.08087	0.8
205.07452	0.2
205.09085	0.2
206.08205	0.8
207.09187	7.5
208.11212	0.4
209.07098	0.5
209.10759	0.3
209.61093	0.1
210.07780	1.6
210.09187	2.1
211.08727	0.2
212.10764	0.4
216.05370	0.1
218.08444	0.1
219.09160	0.5
220.09990	1.4
221.10747	20.0
222.11517	9.6
223.08656	0.9
223.12167	0.2
224.09453	3.6
237.10240	4.9
238.11003	0.6
239.11797	100.0
240.12189	0.5
252.09056	0.7
254.10524	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	237.0872
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
52.63171	0.7
53.03946	1.0
55.01873	5.8
56.96561	4.6
57.03418	1.2
67.05487	1.3
69.03429	1.4
69.07085	1.1
70.06587	1.5
70.98131	0.9
71.19730	1.4
71.20068	0.9
72.04501	1.2
73.02920	1.5
74.02449	8.0
77.03976	0.7
78.09364	0.7
78.14048	0.9
78.55065	0.8
79.05476	1.1
81.07069	0.8
84.04507	12.7
84.08136	1.2
85.02927	1.5
88.03974	1.0
90.05562	1.7
91.05474	4.6
93.07071	1.2
94.06571	39.6
97.02927	1.1
98.67282	0.7
98.97583	3.0
99.00820	11.1
99.05609	0.9
101.13273	0.7
103.05473	2.3
104.04993	7.4
107.04958	1.0
110.97584	1.1
116.98641	1.1
118.06550	43.1
119.48535	0.7
120.04478	17.0
120.08112	36.9
121.06488	1.1
122.06029	1.9
126.05502	2.4
128.04962	1.6
128.98689	1.0
130.05014	4.5
130.06537	2.7
132.04451	11.8
136.07584	67.0
137.02368	2.4
137.05991	2.8
137.31836	0.8
144.06598	2.4
145.07625	0.9
146.06015	100.0
146.99626	2.0
147.02567	1.4
148.03975	5.2
150.05513	21.5
151.02136	1.3
151.06326	1.3
153.06575	1.4
156.04456	1.6
159.07704	1.6
160.03973	1.2
163.08681	2.7
164.07077	19.0
168.02399	2.5
169.03235	6.7
170.04930	3.0
174.05513	51.3
181.06099	1.7
188.05701	3.2
191.08231	2.8
192.06566	47.7
193.03224	2.7
196.56752	1.6
202.04984	19.3
209.09068	1.2
210.05717	0.9
214.03929	5.7
219.08543	3.1
220.06062	24.9
220.09546	0.9
228.57593	1.2
232.04973	5.4
237.08678	11.9
237.12379	1.1
237.15164	2.3
237.22061	1.1
238.39006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
55.05502	0.6
57.07058	0.5
67.05508	0.4
70.47010	0.7
71.73387	0.2
77.03945	0.4
79.05511	0.2
81.07053	0.4
91.05479	1.5
93.07014	0.3
100.11266	0.5
103.05473	11.0
105.07049	0.4
107.04965	0.3
115.05436	1.3
116.06219	0.4
117.07025	10.1
117.07858	0.5
119.04945	0.3
121.06531	0.7
123.04434	4.6
124.33146	0.2
129.07036	0.3
131.04933	36.3
131.08557	2.8
133.06483	0.7
137.05984	6.7
144.05725	0.9
145.06488	19.2
147.08070	0.3
148.05212	0.6
149.05986	100.0
150.06334	0.4
151.07544	0.5
155.06061	0.4
159.08063	4.4
161.05948	0.5
162.06763	1.6
163.07550	33.7
166.08684	0.4
173.13278	0.2
177.09103	2.8
178.07790	0.3
179.08495	0.9
180.08939	0.6
190.07339	0.2
201.12750	1.3
206.06868	0.4
207.08098	1.3
207.09813	0.2
208.08420	0.5
208.11168	0.3
219.13805	52.8
220.14146	0.4
233.32468	0.3
236.08099	4.1
236.10693	1.3
236.16454	75.4
237.08984	0.6
237.16785	0.3
239.83911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1645
Annotation	Huperzine W
Peak:m/z	Relative Intensity
51.73723	1.6
55.05494	6.9
56.05034	3.5
56.35866	1.6
56.96542	2.5
57.07080	12.6
63.64089	1.4
67.05483	1.9
69.07046	2.5
69.30113	6.3
69.30537	7.3
79.05492	2.1
81.07059	10.0
83.08602	4.7
91.05444	3.1
93.07042	7.9
94.06544	1.7
95.08572	3.6
101.08109	2.0
104.07085	5.6
105.07000	3.7
107.08572	4.1
108.08122	3.5
109.06512	4.3
118.74232	1.4
120.08108	12.2
121.08810	1.9
122.09688	1.7
134.06018	1.4
134.09671	9.0
135.10489	3.3
136.07581	2.1
138.09128	2.3
146.09612	3.4
146.42197	1.5
147.06833	2.0
147.11472	1.5
148.07555	6.2
148.11151	3.7
149.05907	2.4
149.12003	3.7
150.09117	1.6
152.69014	1.5
154.08574	2.3
156.19456	1.6
160.11221	3.0
161.11978	4.9
162.09161	16.0
163.08679	2.1
163.09929	27.0
166.08638	16.6
167.09470	1.7
176.14355	72.8
178.12274	3.8
179.10663	2.0
180.10101	2.9
188.10617	3.7
190.15897	4.3
191.16713	20.5
194.11685	1.6
202.12157	2.1
203.08061	1.7
203.12921	2.5
204.13811	10.3
218.07959	2.4
218.15468	2.3
219.14091	1.9
219.16185	8.7
236.09190	3.2
236.16454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
50.01587	0.4
51.02381	0.8
52.94262	0.2
53.03950	4.9
55.01862	0.5
55.05511	2.1
55.57640	0.2
56.96571	0.5
57.07079	2.3
58.40756	0.2
58.96133	0.6
61.90876	0.3
65.03633	0.2
65.03944	1.0
67.05506	17.9
69.03436	0.2
69.07083	1.9
69.41566	1.8
69.99022	0.3
71.05013	1.2
77.03912	1.9
79.05495	21.3
81.03442	0.7
81.07059	6.4
83.04984	0.6
83.08632	0.9
85.06545	0.5
91.05485	34.3
93.07047	100.0
95.04973	6.3
95.08613	5.4
97.06528	0.9
97.10134	0.3
99.98743	0.5
101.06066	0.4
105.04510	2.9
105.07039	3.6
107.04987	0.3
107.08597	11.7
109.06527	0.7
109.10149	1.9
113.96386	0.6
117.07030	1.5
119.08598	4.4
119.09406	0.2
121.06544	0.5
121.10146	14.7
123.08110	0.4
123.11721	0.3
129.07027	0.9
131.08560	2.7
133.10130	4.9
135.08064	1.3
135.11690	3.3
137.09578	0.8
139.07550	0.4
143.08542	0.5
145.10120	0.7
147.11726	0.7
149.09631	0.7
149.13214	0.3
151.11206	0.7
153.09131	1.0
157.06445	0.3
157.10104	1.1
159.11685	0.4
161.09636	0.5
161.13327	0.3
165.00774	0.3
171.11694	1.2
173.13242	0.8
175.07585	0.3
175.11119	0.6
175.14833	1.8
179.10703	1.7
189.09129	0.3
189.12715	0.5
189.16319	1.2
193.12199	0.3
199.14847	2.3
217.15935	1.8
232.00865	0.2
235.05864	0.3
235.09639	0.6
235.16934	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	236.0919
Annotation	Swietenidine A
Peak:m/z	Relative Intensity
55.01880	0.8
55.05495	1.1
56.70385	0.6
56.96560	2.2
57.03430	0.7
58.47866	0.4
60.25391	0.4
61.02919	0.9
61.70049	0.3
69.03434	1.1
70.06517	1.7
72.08163	0.4
73.02920	0.5
73.06554	1.8
80.27623	0.3
81.03400	0.6
84.04506	1.1
85.02898	1.4
91.05483	0.5
97.02903	1.1
98.97591	3.6
106.06529	0.6
109.02888	0.4
110.01310	0.4
110.97565	0.6
116.04996	0.5
116.98614	0.8
117.03950	0.4
119.01862	0.4
128.02307	0.5
128.98604	0.4
129.07047	0.4
131.06873	0.4
134.06015	2.5
135.04425	1.2
137.05969	1.1
144.08107	1.6
145.06461	0.5
146.04135	1.0
146.06020	1.6
147.03282	1.1
147.04436	1.0
148.04799	0.5
150.05569	0.5
151.06277	1.5
155.03413	0.4
155.04655	7.0
155.54880	0.4
158.99672	2.1
159.06442	0.4
161.02670	0.4
161.05925	0.7
161.52979	0.3
162.05513	13.2
162.09137	1.2
163.06340	1.6
164.05217	2.0
166.55449	0.5
172.07591	1.5
173.05956	0.5
177.00702	0.6
182.03270	0.4
190.08649	10.8
190.10349	0.6
191.03940	0.9
191.05664	0.5
196.04355	0.4
200.07059	0.9
204.10222	0.9
206.67636	0.4
218.08134	100.0
219.01686	0.5
219.08517	0.8
219.62019	0.6
223.12271	0.7
224.21324	0.4
227.06767	1.4
227.56970	0.4
236.07306	6.3
236.09192	97.2
237.02853	0.9
237.09541	0.6
255.03885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1079
Annotation	5-methoxy-L-tryptophan
Peak:m/z	Relative Intensity
52.32761	0.6
52.47585	0.5
53.03962	0.6
55.01898	1.2
55.05525	0.9
56.05057	1.3
56.96568	5.1
57.03450	0.8
57.05837	1.5
57.07104	1.9
58.06621	2.0
60.04551	0.9
61.02954	2.0
69.03454	1.4
70.06610	0.8
70.51134	1.7
70.98134	1.0
72.08162	2.7
73.02947	0.9
73.06572	1.6
80.17694	0.6
81.03446	1.2
81.50978	0.4
83.24310	0.6
84.04533	1.3
84.08165	1.5
85.02913	3.0
88.03992	9.7
88.04454	0.7
88.99184	0.5
89.10812	1.4
91.05518	1.3
96.04498	25.4
97.02931	1.4
98.97602	5.4
100.02255	0.9
101.00909	1.8
103.00690	0.7
103.03986	0.8
104.05022	0.6
106.05039	0.8
107.04952	0.7
110.07265	0.8
110.97581	0.6
112.99157	0.8
115.05498	0.6
116.98656	2.2
117.01949	0.8
119.01897	0.9
119.04947	2.6
120.08120	0.8
121.01691	1.0
127.01538	0.6
128.98622	0.9
130.06537	59.9
131.01897	0.6
132.00771	1.0
132.04462	31.4
132.08040	0.7
134.06036	1.1
143.00160	0.5
144.08101	0.9
145.01720	0.9
147.01347	0.5
147.03252	1.8
147.04381	9.9
148.01988	0.7
148.07582	8.7
155.04668	5.5
156.98026	0.6
157.07643	1.1
158.06021	54.2
158.99706	1.8
161.02986	0.6
171.09190	18.5
174.99202	0.9
176.07074	1.4
177.00749	0.8
179.10672	1.0
186.05559	2.6
188.96999	0.8
189.10240	100.0
190.10519	0.6
193.00256	1.0
193.03842	1.2
199.08629	1.2
202.07306	0.7
203.02122	0.7
204.06647	2.5
217.09790	5.4
218.08064	2.0
218.11745	2.0
219.12001	0.5
226.05930	0.5
226.63129	0.7
230.03299	0.6
235.10754	33.2
235.14519	1.6
235.16817	4.0
236.09276	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	235.1079
Annotation	5-methoxy-L-tryptophan
Peak:m/z	Relative Intensity
51.48093	0.7
55.01862	1.1
56.05034	0.8
56.96556	1.3
57.05796	2.2
57.07053	1.9
58.06577	2.2
70.06579	1.1
70.20638	2.5
70.58416	0.6
71.90807	0.6
72.08126	2.9
73.02893	0.7
79.05436	0.7
81.07071	0.8
84.04523	0.7
84.08131	0.8
85.02899	0.9
88.04002	6.1
89.10779	0.8
90.28643	0.6
91.05480	0.9
93.07006	0.7
96.04499	23.7
98.97605	1.5
100.02148	0.7
103.05447	0.7
104.04955	1.0
106.06516	0.7
107.52729	0.6
119.04905	1.4
120.08054	1.3
130.06537	63.1
132.04460	36.3
132.08089	1.8
132.35255	0.6
132.95857	0.7
134.06026	1.1
134.85666	0.7
144.08084	2.6
145.07655	0.9
147.04416	5.6
148.07574	6.2
154.06566	1.5
156.06813	1.9
157.07640	4.5
158.06024	59.8
171.07713	1.5
171.09186	30.1
172.09959	1.4
173.10756	2.1
176.07094	2.4
184.06306	1.6
186.05476	4.0
189.10242	100.0
199.08662	5.5
202.07428	2.8
204.06677	3.9
207.08063	1.2
217.09735	82.2
218.08035	0.9
218.11807	1.5
226.63351	0.8
235.07625	1.7
235.10800	33.6
235.14563	1.1
235.16859	6.9
236.09131	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57043	0.2
55.05516	0.6
56.96576	0.5
57.03444	1.3
60.22550	0.2
65.03938	0.7
65.29139	0.2
69.07066	0.4
70.02965	4.8
70.07394	0.3
70.17802	1.0
71.01361	0.7
74.02435	1.0
76.50480	0.3
79.05499	0.6
81.07065	2.3
88.03999	44.1
91.05489	100.0
92.05822	0.5
94.04060	0.7
97.06573	0.6
98.02424	2.5
98.06851	0.5
98.97601	0.9
99.00825	5.3
107.04977	0.6
110.63970	0.3
110.97550	0.3
116.03456	3.2
118.06557	1.1
119.03587	1.2
119.04951	0.8
120.05740	1.5
121.06528	0.8
123.04484	0.3
136.06198	52.3
136.07562	6.0
137.04614	0.7
137.05991	0.6
138.06349	0.3
139.07584	0.4
145.17914	0.3
146.06009	2.1
147.04506	0.3
156.56537	3.3
162.07820	0.3
165.07903	0.4
175.03889	0.3
177.00729	0.3
178.05054	0.5
181.81931	0.3
190.09377	0.5
190.10896	1.3
192.06587	1.6
196.41878	0.3
206.08119	1.8
206.09761	0.4
207.06509	0.4
213.04155	1.0
216.06630	0.4
216.12480	1.3
217.10663	0.6
219.01750	0.4
221.81471	0.2
222.04750	0.5
223.05365	0.3
234.02089	0.6
234.07555	1.7
234.09448	1.2
234.13510	42.8
244.65802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1078
Annotation	5-methoxy-L-tryptophan
Peak:m/z	Relative Intensity
55.01852	1.0
55.05500	0.6
56.05017	0.7
56.96563	4.7
57.03421	1.1
57.05779	2.2
57.07073	4.3
58.06607	2.8
67.05482	0.8
69.03400	2.0
69.92050	2.0
69.92467	1.0
70.06577	1.3
72.08166	5.4
72.93765	0.9
73.02890	1.9
79.05466	0.7
81.02771	0.5
81.03381	2.1
81.07043	0.7
84.04472	0.7
85.02884	2.5
86.03687	0.7
86.09665	0.7
88.03961	1.7
89.10796	2.7
91.05473	2.6
93.06992	0.5
95.04930	0.6
95.08608	1.0
96.04498	22.1
97.02889	1.2
98.20761	0.6
98.97603	3.9
99.04403	0.7
103.03854	0.6
103.77861	0.5
104.04972	0.7
107.55611	0.5
109.02866	1.6
110.97540	1.0
111.04415	1.0
113.96409	0.8
115.05457	0.6
115.08721	0.6
116.98616	1.6
119.04955	7.4
120.08051	1.2
121.02858	1.3
121.06475	0.6
123.04340	0.7
127.03918	1.0
128.98586	0.9
129.07031	0.8
130.06534	34.2
131.97430	0.7
132.04456	31.3
132.08031	0.6
134.99678	1.0
139.03868	1.0
140.04630	0.6
147.04416	39.6
148.07584	1.8
154.78848	0.5
158.06021	54.0
158.99681	1.2
171.09184	17.2
173.10767	0.9
175.07587	0.7
176.07077	1.6
177.00700	0.7
177.58839	0.6
179.10686	4.0
180.03606	1.0
181.98885	1.7
186.05417	2.8
189.00792	0.7
189.10237	100.0
192.07663	2.3
199.08714	0.8
200.00018	1.5
201.00774	0.7
204.06583	3.0
207.02284	1.5
211.97194	1.0
212.07643	1.2
214.01357	0.6
215.02483	0.7
217.09752	7.4
218.05696	1.9
218.11784	5.0
223.03642	0.8
229.00284	1.2
229.98216	1.1
235.10800	57.1
235.14496	7.3
235.16980	12.5
250.84328	0.5
257.03363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1171
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.03947	1.4
55.01877	4.6
55.05510	0.9
57.03432	1.5
65.03954	0.9
67.05513	3.2
69.03438	1.5
69.07069	15.9
71.05029	0.4
71.06394	0.8
74.73884	0.4
75.89149	0.4
77.03928	0.4
79.05497	17.3
83.04952	0.5
91.05484	22.7
93.07067	0.6
95.04008	0.4
95.04969	1.4
97.06535	100.0
102.05553	2.8
103.05466	0.7
105.04536	0.5
105.07033	0.7
107.04954	2.1
109.06514	1.7
115.05474	0.5
116.93790	0.4
117.07038	1.1
119.04945	13.8
120.08099	0.5
121.06495	0.9
123.04387	0.4
128.06226	0.4
131.04950	0.8
132.08093	2.4
133.06471	1.6
135.04425	2.5
136.05275	0.4
136.06181	1.1
137.05983	65.3
141.07036	0.4
145.06424	0.7
147.04416	5.8
149.05981	4.2
155.06104	0.4
160.07585	2.6
161.05984	0.7
163.03906	7.8
163.07564	1.5
166.32330	0.3
167.07042	0.7
170.06108	0.4
173.06068	0.6
175.07591	0.5
179.08530	0.4
179.64833	0.4
181.04941	1.5
189.07423	0.4
189.09117	8.0
191.07127	1.2
191.10690	0.5
196.31905	0.3
202.08633	1.8
204.08041	1.1
205.08910	1.0
205.12369	0.4
205.14275	0.4
206.09674	2.7
215.10608	1.9
217.12395	0.6
222.22871	0.3
233.05994	1.0
233.08298	7.0
233.11723	48.2
234.09195	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	233.1497
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
53.23965	0.3
53.31648	0.3
55.05493	0.6
56.05039	16.1
56.96571	2.4
57.03440	3.4
58.06605	6.9
69.03435	0.6
69.07062	1.8
70.12975	0.9
70.13364	0.7
72.26174	0.4
74.02463	0.5
74.06083	100.0
75.04486	0.5
81.03433	1.8
84.04509	4.6
84.08141	0.5
85.02903	0.8
86.09710	35.8
98.97598	1.4
100.02229	0.4
100.99146	0.5
101.07150	3.6
104.10767	0.8
107.05022	0.4
110.97534	0.5
113.07234	0.4
116.98595	0.4
119.01952	0.8
126.12795	0.5
128.98634	0.8
132.10213	25.2
134.04428	0.5
141.51256	0.4
142.12279	2.2
143.11786	1.0
145.01642	0.5
145.03499	1.5
146.05981	0.6
155.04672	1.9
158.99637	0.5
161.02975	0.4
162.06744	0.6
164.02303	0.4
164.07097	1.0
169.13405	2.3
172.09625	0.5
175.04552	0.5
177.00734	0.5
185.06010	0.5
187.14435	21.5
190.98627	0.9
191.04042	1.3
203.06874	0.4
208.36153	0.4
208.99707	0.6
215.13908	6.5
224.59174	0.5
227.98288	0.6
233.04802	0.6
233.15007	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	233.1171
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
50.81595	0.4
53.03941	0.9
55.01876	3.9
57.03426	1.0
65.03941	0.5
67.05512	2.3
69.03426	1.1
69.07072	11.4
69.80019	1.8
74.53320	0.3
77.03898	0.4
79.05499	14.1
81.07066	0.7
91.05490	15.9
94.04185	0.3
95.04991	0.8
97.06536	100.0
103.05472	0.4
105.04500	0.4
105.07075	0.4
107.04955	1.2
109.06508	1.0
117.06990	0.4
119.04958	9.3
119.08517	0.4
121.54140	0.3
129.03401	0.3
131.04948	0.4
133.06496	1.0
135.04419	2.0
137.05983	51.3
138.06308	0.4
147.04414	7.6
149.05984	1.8
161.06021	0.4
161.09642	0.3
163.07561	0.7
189.07381	0.6
189.09111	7.6
205.06483	1.0
205.12329	0.3
215.10683	1.1
218.07295	0.7
233.05981	0.8
233.09821	1.3
233.11723	27.7
233.81970	0.4
234.10362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
53.00317	0.3
53.03941	0.7
53.51673	0.2
55.01869	2.7
55.05511	0.4
57.03431	0.4
57.78351	0.3
61.05883	0.2
64.51102	0.3
65.03939	1.1
67.05505	1.5
69.03436	0.9
69.07069	29.5
70.02985	1.1
72.04498	0.2
77.03899	0.2
79.05496	7.0
81.07050	0.8
83.04988	0.7
91.05480	30.2
92.05811	0.4
93.07056	0.4
95.04991	0.7
97.06532	25.6
98.97587	0.4
101.00867	0.7
103.05444	0.3
105.07031	1.7
107.04932	1.2
107.08585	0.4
109.06530	1.8
117.07034	0.4
119.01942	0.4
119.04943	16.4
119.08562	0.3
120.05718	0.4
120.08147	0.4
121.06511	0.7
121.10144	0.3
123.04460	0.4
131.08595	0.6
133.10133	0.3
134.45502	0.3
135.04417	1.2
135.08040	4.0
136.05188	3.1
136.08426	0.3
137.05977	100.0
141.58455	0.2
143.01878	0.7
145.06483	0.4
145.10124	0.6
147.04373	0.6
147.11629	0.5
149.05988	1.2
159.11739	0.6
161.02922	0.6
163.03918	2.0
163.07486	0.4
169.10127	0.4
173.06013	0.7
173.09633	0.6
175.04489	0.3
187.00815	0.6
187.11139	0.6
189.09044	0.3
191.06923	0.4
195.08035	0.5
203.03897	0.3
215.10768	1.4
229.01965	0.3
233.08171	0.8
233.11713	14.1
233.15453	0.7
236.03661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39367	1.1
55.01848	1.4
55.05492	1.6
56.05036	9.9
56.96544	4.9
57.03415	3.1
58.06578	3.1
61.02925	8.9
65.32508	1.3
67.51266	1.3
69.03419	2.7
69.07058	3.0
70.06569	1.3
70.56684	3.7
72.08154	13.3
73.02917	1.6
74.06083	60.4
77.07391	1.1
82.99833	7.0
84.04510	9.8
84.08141	6.0
85.01408	3.5
85.02888	3.1
86.06049	4.3
86.09708	36.8
87.04439	2.9
97.01377	1.5
98.97595	2.6
101.00887	33.5
101.07140	2.8
103.00581	1.5
103.02430	4.8
104.07113	7.3
113.00827	1.5
115.02431	13.2
119.01926	47.2
120.06533	1.4
121.01648	1.9
127.02412	16.1
127.03874	1.3
130.05009	2.0
131.01894	5.0
132.10220	11.5
133.03476	35.4
137.02885	4.4
142.04961	1.4
143.01907	9.4
145.03474	100.0
147.03165	1.2
147.05064	1.5
150.01724	1.9
151.04510	6.9
154.94540	1.1
157.03458	16.1
161.02957	16.7
163.04523	24.8
167.01865	1.8
168.05005	1.8
170.08067	3.4
173.02975	30.7
175.00845	1.5
175.04543	29.9
182.02498	1.8
185.02922	2.2
187.00873	2.7
187.04488	5.7
187.14432	11.1
189.06020	1.5
190.98633	2.2
191.04015	78.6
192.04207	1.3
198.83929	1.2
201.02420	6.4
203.04079	1.7
208.99718	1.4
210.02417	1.5
214.05597	2.2
215.04039	3.1
215.13875	4.4
216.08566	2.7
217.45242	1.4
219.03523	4.0
233.05043	49.1
233.11357	2.0
233.15092	8.8
233.18546	1.9
242.99683	1.7
249.26180	1.1
251.06129	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81715	4.8
52.82476	4.0
71.19130	8.7
72.07877	3.8
72.08170	41.2
82.99848	7.0
84.04504	6.3
84.08141	7.4
86.09721	22.6
101.00894	41.2
104.07099	10.6
112.60400	4.6
115.02457	11.7
116.10688	5.5
119.01945	39.5
127.02406	18.7
130.47729	4.3
133.03467	26.5
133.57002	5.0
143.01920	18.2
145.02412	9.3
145.03479	100.0
151.04399	5.3
157.03456	12.5
161.02968	22.2
163.04530	13.7
173.02966	29.5
175.04521	23.5
191.04025	52.2
201.06018	6.0
215.66743	4.5
233.04662	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.2062
Annotation	Muscopyridine
Peak:m/z	Relative Intensity
57.07079	3.5
58.06601	0.6
69.03424	0.3
70.03775	0.3
75.28016	0.2
76.65683	0.2
76.69263	0.2
89.11275	0.2
91.05467	0.4
98.97551	0.3
104.20232	0.3
118.06556	7.5
119.07309	0.5
120.05736	0.4
121.06525	1.0
123.33895	0.2
132.08101	2.9
133.08896	1.5
134.09663	1.0
137.05972	0.4
146.09631	2.7
147.10434	0.5
160.11211	0.4
162.12769	0.5
171.08028	0.3
174.05261	0.4
174.12836	0.5
176.14359	65.1
177.14687	0.5
188.04955	0.3
188.14267	0.4
189.03130	0.5
189.15094	0.3
199.55807	0.4
214.12491	0.3
215.10760	0.4
232.20613	100.0
233.20944	0.9
242.98128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.1
56.96568	5.0
60.79016	4.1
61.02917	13.0
70.89122	7.3
72.08153	43.1
74.06068	14.2
82.99839	9.7
84.04500	11.8
84.08130	6.3
85.87099	4.9
86.09688	15.1
87.04458	5.6
91.55254	4.5
95.58188	4.8
101.00876	24.7
104.07130	9.1
115.02427	10.0
116.04236	4.6
119.01923	31.9
127.02410	18.8
127.05856	5.6
133.03462	28.3
137.02910	5.7
143.01898	9.5
145.03479	100.0
149.43500	5.3
157.03464	14.8
161.02963	15.9
162.32535	4.7
163.04494	13.9
165.91127	4.2
167.42761	4.6
173.02963	26.9
175.04512	31.2
191.03999	71.1
201.64195	4.7
233.00639	7.7
233.04784	33.6
233.11404	5.2
240.75966	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87790	1.9
55.01876	2.5
55.05512	4.7
56.05029	6.1
56.96301	2.4
56.96575	50.6
57.03433	8.2
58.06610	100.0
58.99797	2.0
61.02938	23.8
65.57734	2.1
68.99813	2.2
69.03423	5.2
69.07077	30.4
70.06593	4.4
70.98135	12.6
70.99874	4.7
71.04984	2.4
71.55565	2.4
72.08170	13.9
73.02923	24.1
74.06089	13.5
77.82067	2.1
82.99844	6.2
83.04986	2.5
84.04514	64.9
84.08160	15.9
84.96040	3.1
85.01428	5.5
85.02916	15.6
86.06057	4.7
86.09716	33.0
87.04453	2.5
87.08120	3.4
88.03973	4.9
88.07632	6.4
88.99157	5.5
90.06010	2.2
91.02423	2.8
91.05482	3.8
95.01326	7.4
97.01389	2.8
97.02891	4.6
98.97599	25.8
99.04441	3.6
100.99153	12.6
101.00274	3.3
101.00897	47.2
101.07174	2.8
102.02414	2.5
102.05501	2.2
103.00631	5.0
103.02456	12.3
103.05483	2.4
104.07106	3.2
104.10756	31.8
110.02132	3.9
110.97589	12.2
112.99133	6.3
113.00859	8.1
114.05540	2.7
115.02441	15.8
116.02180	5.6
116.07056	3.7
116.98644	7.7
117.01851	9.6
119.01931	56.9
119.02622	2.1
121.01638	8.4
125.02674	11.5
126.00759	2.3
126.97054	2.6
127.02402	16.7
128.98608	17.0
130.01869	8.3
130.05022	52.6
130.06548	3.4
130.08704	4.3
131.00172	4.5
131.01877	16.4
131.02747	3.7
132.10207	4.0
132.95856	7.0
133.02562	2.1
133.03482	54.4
133.05205	2.6
134.99664	2.6
137.02884	7.8
137.05959	4.6
138.01617	5.5
139.02490	2.5
142.04994	6.9
143.01891	20.7
144.98077	9.9
145.03485	96.1
146.99649	10.0
147.04993	2.7
147.07700	4.5
148.02937	2.4
149.01289	3.9
149.02936	8.3
150.96942	3.5
151.02557	2.6
151.04550	11.7
154.96526	2.7
155.04849	2.5
157.03519	22.4
158.99655	4.1
159.05124	3.0
160.07581	2.9
161.01694	2.7
161.02985	37.2
161.05905	2.5
162.99190	4.0
163.02679	2.3
163.03242	3.5
163.04546	27.7
164.07114	2.7
165.00706	6.1
165.02228	2.5
166.01120	2.6
166.02951	4.2
168.95700	2.4
169.08676	5.0
169.13345	5.3
170.08174	2.4
170.11790	9.2
171.01376	3.9
172.97632	19.7
173.01723	8.5
173.03059	38.1
173.06535	2.8
175.00932	15.5
175.04533	37.1
177.00758	4.6
177.02394	5.3
182.02449	66.9
182.52588	6.1
185.03038	3.0
186.96780	3.4
187.00964	4.1
187.02957	3.3
187.04535	18.1
187.10774	3.7
187.14450	3.2
189.00859	3.2
189.02527	7.3
190.98637	28.3
191.00209	3.7
191.00479	4.5
191.02490	20.2
191.04031	88.2
191.07547	4.1
191.53052	2.9
193.01938	3.8
193.53116	3.5
195.03250	4.6
197.02994	6.2
198.11255	8.6
201.02463	5.5
203.04012	5.4
204.04010	3.3
204.97908	3.8
206.42084	2.6
206.58116	27.0
208.99744	17.3
209.03209	5.1
209.97208	5.6
210.04219	3.1
210.06137	3.3
211.07576	3.8
215.03989	17.3
215.13959	38.1
215.58690	8.1
216.12289	13.2
217.01938	5.9
218.98145	2.3
219.03645	4.8
222.03835	2.8
223.12314	2.6
224.59119	11.4
225.09320	2.7
227.98265	3.9
229.01959	4.8
232.97546	4.5
232.99727	4.6
233.05077	92.8
233.10619	10.1
233.15041	36.1
233.18626	5.6
239.06958	4.0
242.99886	3.2
251.00623	3.0
251.06294	3.5
252.17824	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	231.1706
Annotation	H-LEU-VAL-OH
Peak:m/z	Relative Intensity
53.03922	0.6
56.05038	2.6
57.03435	0.7
57.07081	5.9
59.39263	0.6
69.03436	5.7
69.48984	4.4
71.20284	0.6
72.08154	0.6
81.03400	2.1
84.04511	67.7
85.02911	5.5
85.10188	20.5
85.10718	0.6
87.00830	0.8
97.02888	1.1
98.06062	0.7
99.04443	1.4
102.05560	3.4
102.12825	100.0
109.02909	1.1
116.32204	0.6
127.03922	2.3
130.05019	21.1
133.61012	0.7
185.16490	15.9
186.15012	0.8
202.07809	1.0
203.08582	1.4
213.16028	0.9
214.14394	67.8
231.08078	4.5
231.12090	1.5
231.17052	31.2
241.01414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	Val Ile
Peak:m/z	Relative Intensity
53.03951	0.4
55.05514	9.9
56.05027	0.5
56.96555	0.5
57.05819	1.1
69.03434	0.6
70.06575	0.3
70.45056	0.7
70.78755	0.2
72.08159	100.0
80.49905	0.2
81.03427	0.3
85.02905	0.3
86.09704	5.1
89.50593	0.2
97.30872	0.2
98.97614	0.4
99.04452	0.2
116.98615	0.4
120.59144	0.2
127.03938	0.5
132.10205	3.3
143.04881	0.2
154.03804	0.2
162.51897	0.2
174.09256	0.2
180.13757	0.2
185.16518	1.1
195.45813	0.2
203.06911	0.2
204.01863	0.2
211.27203	0.2
213.15866	0.2
231.06761	0.3
231.11685	0.2
231.17053	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	230.1177
Annotation	Trietazine
Peak:m/z	Relative Intensity
53.03944	2.7
55.05519	0.8
56.84849	0.7
57.03424	0.7
57.07078	2.4
58.06603	12.2
62.06098	1.8
65.03954	1.0
67.05510	2.4
68.05035	1.1
68.05832	1.2
69.03437	1.2
69.07078	0.9
69.48394	5.6
71.08655	1.2
72.04533	0.7
79.05500	22.6
80.05025	1.3
81.07062	100.0
83.08640	1.0
85.58369	0.8
86.06078	5.2
89.03916	1.4
91.05508	1.6
95.08548	0.8
97.02905	3.0
98.06069	6.6
98.21531	1.3
104.05007	2.4
105.55859	0.7
106.06554	1.8
107.04969	1.8
110.06073	1.0
110.10503	1.4
111.04556	0.7
113.38651	0.7
117.03419	0.8
118.06535	0.8
120.08115	0.9
123.04436	7.9
129.07007	1.7
130.06520	1.0
132.04465	8.7
134.06033	1.5
135.04451	3.6
137.06003	0.9
142.06531	0.9
146.05984	0.9
150.05516	30.8
154.06525	1.5
155.07262	2.1
156.08136	1.7
162.05490	4.5
169.08911	1.3
170.06047	3.3
173.03705	0.8
173.08455	0.8
175.06210	1.9
182.06110	1.4
182.08124	1.0
182.36044	0.8
183.06746	4.3
184.07637	3.8
184.11235	3.2
186.05640	1.0
187.06255	0.8
188.07053	4.5
189.64182	0.7
194.08192	4.0
196.07693	0.9
197.08435	1.6
199.06337	1.1
200.07088	22.6
200.08847	1.3
201.07840	7.8
202.08665	3.3
202.12302	1.6
212.09100	1.8
212.10764	6.5
212.23645	1.1
214.08679	3.1
215.09473	1.5
228.10228	1.7
229.27234	3.3
230.11815	77.4
230.19847	4.8
230.24800	26.6
230.27197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01871	1.4
56.96566	1.9
57.03439	0.5
58.06343	0.4
58.06603	4.6
59.07381	1.2
59.13731	0.2
60.08169	5.4
61.02931	0.5
68.05031	0.8
69.03405	0.3
70.06596	27.7
70.98120	0.4
71.25447	0.5
71.94073	0.2
72.08166	0.8
73.02910	0.7
74.06061	0.3
79.05485	0.3
82.28690	0.2
82.99837	0.6
84.04499	1.0
84.08144	0.9
85.02890	0.5
85.47656	0.2
87.05587	0.2
90.05544	0.2
91.05457	0.2
96.08129	1.4
97.96822	0.2
98.06048	0.6
98.97580	2.0
101.00883	4.3
101.01498	0.4
112.24265	0.2
113.00879	0.3
114.04811	0.3
114.05540	3.2
114.09182	1.6
115.02429	0.3
116.07104	1.0
116.98618	0.7
119.01926	6.1
123.02721	0.3
124.07616	3.0
126.09146	0.5
126.98790	0.6
128.02353	0.3
128.98586	0.6
131.01913	1.1
133.03471	0.9
137.02948	0.9
138.06361	0.4
142.08641	27.8
143.01921	0.4
144.99815	0.7
149.02931	0.2
151.02162	0.5
152.07100	0.4
153.06548	0.3
159.07715	0.3
160.02003	0.2
161.03001	0.4
168.02362	0.7
168.99866	0.9
169.03326	1.1
170.08124	1.8
172.97617	0.2
173.02896	0.3
179.08997	0.5
181.06183	0.4
181.55605	0.3
183.14935	0.8
187.00926	2.5
187.02527	0.2
187.04607	0.3
189.00693	0.3
192.02728	0.3
197.00999	0.4
205.01968	0.7
206.07120	0.3
207.07617	0.3
215.00357	1.5
220.04004	0.3
224.07986	0.5
229.15483	100.0
230.15933	0.6
237.02792	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.51429	3.9
54.93350	3.4
55.01872	22.0
55.05508	19.0
56.96568	9.6
57.03421	7.4
67.05511	51.7
69.07066	22.1
70.20003	14.7
71.04990	4.3
79.05490	15.5
81.07063	94.8
83.04976	6.0
83.08611	15.4
83.09084	4.0
85.06526	7.2
91.05464	15.7
91.19710	3.8
93.07024	16.0
93.36032	4.3
95.08595	26.2
97.06532	11.1
98.20882	6.6
98.97569	3.6
99.08086	5.6
102.29884	3.4
104.99950	3.4
105.07035	47.5
107.08576	20.4
109.06524	6.7
109.10157	18.4
119.08595	37.8
121.10150	31.1
123.08083	4.6
123.11720	42.4
127.07576	6.6
133.10164	6.0
146.91772	4.5
147.11700	100.0
157.66924	4.2
165.12746	55.5
167.09056	4.2
183.13832	11.9
184.88620	4.2
229.14255	14.8
229.19536	10.0
229.23558	9.1
242.85686	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	229.1437
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01874	5.5
55.05304	1.0
55.05512	11.7
56.60548	1.1
56.96556	4.7
57.03444	12.6
57.07069	1.9
59.04987	4.4
65.03929	1.7
67.05508	72.9
69.03426	2.7
69.07068	10.8
69.78152	5.3
70.06580	4.0
71.04979	4.2
79.05498	10.2
79.41793	1.1
81.03419	1.2
81.07059	45.0
83.04990	5.1
83.08630	8.1
85.02920	1.7
85.06544	4.7
91.05488	24.9
93.07042	13.6
94.43388	0.9
95.04958	4.9
95.08617	13.4
97.06068	0.8
97.06544	8.4
98.20770	1.4
98.97594	7.4
99.00822	1.7
99.08096	2.2
101.00867	2.9
101.06042	1.2
103.03998	1.1
105.07033	24.7
107.04976	1.7
107.08601	10.6
109.06533	5.6
109.10162	53.2
111.04462	1.2
111.08070	2.9
112.99117	1.8
113.05994	2.9
115.05460	1.2
116.98607	3.2
117.07004	2.0
119.01905	6.7
119.07931	0.9
119.08591	23.6
119.09443	1.3
121.06535	1.1
121.10138	13.9
123.08059	2.7
123.11710	16.1
125.09629	1.4
127.03931	1.8
129.07014	8.0
131.00150	3.6
131.08594	4.8
133.10118	7.5
137.09625	3.0
142.07823	1.6
145.10172	1.2
146.91859	1.9
147.11693	62.5
149.01227	4.2
149.09641	2.6
149.13358	1.7
155.10692	3.4
157.10138	15.2
158.99623	1.7
161.02797	1.1
165.12761	26.5
167.02249	1.7
173.01221	1.4
173.11774	18.6
173.13182	1.3
175.11194	15.4
176.06154	1.0
177.00778	2.0
183.08224	1.3
183.11668	1.2
183.13748	1.0
186.07188	2.3
186.09096	2.0
187.00938	2.2
190.08652	1.8
193.12244	7.5
205.98793	1.4
209.34993	1.0
210.39532	1.0
211.13281	3.4
211.16945	1.2
212.16451	1.5
214.06158	1.1
214.08598	1.3
214.79660	1.1
229.05031	1.7
229.08572	3.7
229.14346	100.0
229.19386	2.9
229.23505	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	229.1435
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.35756	2.3
53.02040	2.1
55.01867	10.0
55.05518	10.7
57.03437	3.6
67.05507	33.6
69.07069	14.1
70.70700	4.6
71.04973	2.9
73.46944	2.0
79.05502	12.0
80.86473	1.9
81.03376	2.2
81.07063	77.9
83.04977	6.9
83.08601	9.8
85.06541	5.1
91.05481	25.7
93.07065	11.1
95.04987	4.6
95.08610	14.4
97.06522	5.3
99.08094	3.0
101.05994	3.3
105.06367	3.8
105.07030	36.2
107.04922	2.6
107.08612	11.4
109.06552	6.1
109.10156	6.0
113.06001	3.5
119.01913	2.5
119.08598	29.6
120.74358	2.3
121.10146	22.1
121.26260	2.1
123.08106	2.5
123.11723	32.7
127.07546	5.1
129.06985	4.0
131.08563	3.7
133.10124	5.5
137.13226	2.9
147.11697	100.0
147.89287	2.0
149.09633	2.5
157.10112	11.1
165.12750	53.3
171.49524	2.2
175.11255	11.9
175.25093	2.2
183.13751	5.7
193.12222	9.7
202.21022	2.1
211.13200	4.5
229.12114	3.1
229.14331	42.6
229.23557	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	228.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87772	0.7
53.03930	1.5
53.79618	0.7
55.05510	3.8
56.96563	5.7
57.06641	0.9
57.07083	5.9
58.02815	0.7
58.06606	2.0
60.07880	1.2
60.08166	19.4
65.03925	0.9
66.04715	1.1
67.05502	4.4
69.07079	4.0
69.47637	2.6
69.48067	2.7
71.08627	3.0
75.60248	0.7
79.05071	0.9
79.05497	12.1
79.94801	0.7
80.05020	0.6
81.07058	17.1
81.30598	0.7
83.08619	2.8
84.08132	2.0
91.05487	2.6
93.07034	1.6
94.06544	0.8
95.05004	1.0
95.08628	5.1
97.10164	1.3
98.20780	1.4
98.97591	0.9
104.04985	0.9
105.04541	0.7
105.07023	1.6
107.04989	1.4
107.08597	2.4
109.10143	2.6
115.05434	1.0
117.05711	1.0
119.07348	0.8
119.08575	1.3
120.04456	1.5
121.05199	1.4
128.98602	1.1
129.07013	0.9
130.06520	4.1
132.04443	2.1
137.06007	5.2
138.06375	1.1
140.04922	0.8
141.42638	0.9
142.06471	1.5
143.07349	4.1
146.05942	1.5
147.03177	0.9
148.03915	5.3
148.14362	0.7
149.04709	3.5
150.05511	1.2
154.06490	3.9
155.08536	1.0
156.08054	3.0
157.05223	1.0
157.08835	3.5
158.06006	5.6
158.09648	1.9
162.05521	1.7
165.06892	0.8
167.07326	4.2
168.08078	1.1
169.05235	1.4
170.06027	9.2
171.03418	0.8
171.06801	12.7
172.07539	2.0
172.11221	4.4
175.08772	4.1
175.14847	2.4
175.58659	0.9
180.08092	0.9
182.09665	7.1
183.08043	1.4
184.07565	4.3
184.09349	5.9
184.59300	2.1
185.04785	3.5
185.08380	4.8
186.05527	11.3
186.59599	3.1
187.06258	2.4
190.97581	1.0
193.09836	3.3
193.15834	1.4
193.59863	1.1
195.60126	2.0
196.10330	1.0
198.05522	12.0
199.04428	1.4
199.06288	28.1
200.07138	4.2
200.10712	14.1
204.60637	1.0
210.09206	6.6
212.07092	4.1
213.07880	5.5
227.09419	1.6
228.10217	39.8
228.12267	1.8
228.23531	10.0
228.26872	100.0
232.12228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03937	3.3
55.01859	3.6
55.05512	23.7
56.96570	20.7
57.03436	9.5
57.07069	9.3
59.05000	8.2
61.02919	3.8
61.16128	2.3
62.82738	2.2
65.03928	2.4
67.01844	3.1
67.05507	15.2
67.87019	2.3
68.83971	2.1
69.03439	21.5
69.07069	26.2
69.69465	5.0
69.69885	9.9
70.06600	2.9
71.04992	27.2
73.02917	5.5
73.06553	3.5
79.05498	14.2
81.07054	32.5
83.04978	18.1
83.08607	14.7
85.02896	4.3
85.06535	14.7
86.09706	5.3
91.05478	16.9
93.07050	39.2
95.04976	100.0
95.08606	30.5
97.02905	4.0
97.06539	24.1
97.10172	9.0
98.21510	4.2
98.97581	7.2
99.04457	19.0
99.08098	40.4
100.09438	4.5
100.11261	21.6
101.00861	7.5
105.03394	11.9
105.07020	21.6
107.04962	5.5
107.08591	47.2
109.06525	24.8
109.10156	19.4
111.08065	11.7
113.06034	2.8
113.09652	3.8
115.07567	6.7
119.01939	10.2
119.08574	13.8
121.06506	6.6
121.10150	39.6
121.99138	3.8
123.04427	4.2
123.08083	4.5
123.11715	12.0
125.06042	2.9
125.09635	63.4
125.13306	4.6
127.07566	19.5
127.11239	5.1
131.08577	11.1
133.10129	51.1
135.08044	10.0
135.11690	12.0
137.05994	5.9
137.09653	9.7
137.13333	2.8
139.07500	4.9
139.11212	15.7
140.00198	21.2
140.04774	2.9
143.01869	14.7
143.10637	5.4
145.03497	5.4
145.10123	5.4
147.11707	21.0
148.12044	2.9
149.06023	4.3
149.09642	27.9
149.13266	27.9
151.11186	15.5
152.06183	4.5
153.09108	52.8
155.07019	3.3
158.01251	20.9
158.99699	4.4
161.02975	9.9
163.11186	6.2
163.14818	12.9
165.12781	3.4
166.07826	3.9
167.07059	17.5
167.08539	8.2
167.10722	4.1
171.10190	17.6
173.13266	28.5
176.02295	4.0
177.05525	3.5
181.04942	4.2
181.06445	3.4
185.02995	3.7
186.00729	11.7
186.99281	3.0
191.14317	34.8
195.08028	10.1
197.06061	4.5
198.09145	4.5
204.01830	40.5
206.09688	5.2
206.59729	2.8
209.08078	12.6
209.15337	48.5
212.08170	2.9
213.17941	4.0
215.10214	4.9
221.04930	2.8
222.02852	25.1
222.04684	3.6
226.08630	3.7
227.03389	3.4
227.07014	5.9
227.08788	4.0
227.10831	28.4
227.12653	6.0
227.16376	64.9
228.10223	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	227.1644
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03940	2.7
55.01876	4.3
55.05299	2.2
55.05519	24.7
56.96574	27.8
57.03436	4.4
57.07073	10.0
58.70805	1.7
58.78740	1.8
59.04992	8.5
61.02921	2.3
65.03937	2.3
67.05516	13.9
69.03430	23.8
69.07070	24.6
69.51225	9.9
69.51635	3.8
71.05005	25.2
71.08633	3.0
72.08176	2.4
73.02906	3.0
79.05495	15.7
81.03421	3.4
81.07074	25.0
82.06567	2.7
83.04985	20.1
83.08628	18.8
84.08107	2.5
85.02917	5.5
85.06566	11.9
86.09692	10.0
87.04495	2.9
89.27314	2.1
91.05485	16.9
93.07051	33.3
95.04978	100.0
95.08620	24.5
97.02920	2.9
97.06528	23.6
97.10169	7.5
98.97603	13.0
99.04451	13.3
99.08107	30.7
100.11266	25.3
101.00880	6.9
103.05490	4.2
104.92205	1.8
105.03416	10.3
105.07050	19.8
107.04961	3.4
107.08609	37.9
109.06534	19.0
109.10159	18.2
110.97602	2.5
111.04440	4.6
111.08102	13.7
113.09644	2.9
115.05451	2.0
115.07568	8.8
116.98617	4.5
119.01933	8.8
119.08602	15.4
120.08116	2.8
121.01629	4.6
121.06504	5.3
121.10157	37.3
121.99167	5.0
123.04461	5.0
123.08076	6.6
123.11742	14.3
125.06042	3.7
125.09641	73.9
125.13298	2.6
127.07587	16.3
127.11339	2.0
128.06267	3.0
131.01971	2.1
131.04929	2.3
131.08577	8.3
133.10153	43.5
135.04440	3.6
135.08081	12.1
135.11732	11.6
137.05927	3.3
137.09633	8.0
139.07579	6.5
139.11174	14.6
140.00212	29.5
142.01782	4.1
143.01898	15.3
143.10657	3.4
145.01642	2.7
145.03494	4.4
145.10159	6.6
147.11696	19.5
149.05997	4.2
149.09627	28.0
149.13284	17.3
151.11232	13.0
152.06195	4.0
153.09109	47.8
155.07091	3.1
158.01277	31.1
158.10841	2.9
158.99664	6.1
160.02835	2.4
161.02962	21.0
163.11250	3.9
163.14801	13.8
165.06961	5.7
165.12796	3.4
166.07799	6.8
167.07054	19.6
167.08577	14.3
167.10681	7.2
167.14325	3.4
169.06493	2.9
171.10159	9.1
171.11507	2.6
173.02859	2.5
173.13287	20.4
176.02328	6.3
177.00700	4.0
177.05519	4.0
181.02797	2.1
181.05017	4.5
181.06499	5.1
184.08820	2.5
185.02936	2.2
186.00717	16.2
186.99232	3.1
191.14320	26.4
195.06477	3.7
195.08040	17.7
196.08839	3.8
197.06047	5.8
198.09155	4.6
199.07681	4.2
199.18234	2.5
204.01826	51.4
206.09732	6.5
209.08159	11.8
209.15320	46.2
209.17068	3.0
212.04750	2.8
212.08279	6.2
213.17842	3.8
222.02856	43.5
226.08646	8.0
227.03473	3.8
227.06999	5.9
227.08946	11.9
227.10867	43.5
227.13014	3.5
227.16331	56.3
228.10228	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	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
51.93945	0.9
53.03928	2.4
55.01875	5.4
55.05510	12.6
56.96562	1.7
57.03424	2.1
57.07059	1.5
61.61503	0.8
67.05507	16.7
69.03433	1.7
69.07065	8.1
69.94653	4.3
71.04997	2.9
73.02922	1.6
79.05490	24.9
81.03410	2.6
81.07062	19.3
83.04974	4.1
83.08621	10.9
85.06544	1.5
91.05489	8.2
93.07045	36.4
95.04974	5.6
95.08609	42.1
97.02882	3.6
97.06523	3.4
97.10138	1.5
98.97544	1.9
99.04458	5.5
100.11258	4.5
103.05460	1.9
105.04343	0.8
105.07048	7.0
107.04958	10.8
107.08595	24.5
109.06515	2.5
109.10133	3.5
111.04437	2.0
117.07017	8.8
119.08562	8.2
121.06516	8.6
121.10137	13.8
125.05959	3.6
130.07776	1.9
131.08551	1.1
133.10120	3.6
135.08052	3.5
135.11691	44.5
137.06003	1.2
139.07542	1.7
143.08542	1.5
145.10130	27.2
145.37437	0.9
149.05920	1.3
153.12794	1.7
155.08469	0.9
163.11186	68.0
164.11449	0.9
167.07042	14.3
177.05438	3.6
181.12233	16.4
198.09225	1.0
209.08113	2.6
209.11752	1.6
218.08084	0.8
227.12778	100.0
227.17694	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	226.9719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48618	3.1
70.33260	10.5
70.33633	2.8
84.47282	2.9
86.70355	3.1
94.93021	13.4
112.89577	2.9
150.95596	100.0
162.35854	3.1
166.32568	2.9
166.95232	4.1
180.96675	13.5
208.96069	20.2
217.22913	3.2
226.86784	5.6
226.97195	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03940	1.8
54.21587	1.1
55.01872	31.1
55.05513	10.7
56.96561	4.9
57.03432	2.5
57.07071	3.8
65.03932	1.1
65.08904	1.2
67.05509	16.4
69.03429	4.4
69.07070	24.7
71.04999	9.4
71.49085	1.0
71.55840	1.1
73.02925	1.9
77.53618	1.2
79.05496	17.4
81.03411	1.1
81.07062	19.5
83.04979	3.4
83.08620	5.2
84.96018	1.1
85.02946	1.7
85.06545	15.5
91.05479	13.7
92.05828	2.2
93.07047	22.5
95.04973	9.1
95.08612	20.7
97.06535	18.6
97.10183	8.8
97.14462	1.2
98.97578	9.7
99.04467	9.6
99.08099	1.8
100.11274	8.0
103.05489	2.6
105.07043	15.0
107.04955	8.2
107.08599	47.9
109.06522	12.1
109.10164	3.8
109.99255	1.1
111.04437	2.5
111.08077	3.5
113.02366	1.3
113.05999	7.3
116.98637	2.9
117.07018	2.2
119.08598	12.4
121.06519	10.5
121.10145	22.5
123.04446	1.4
123.08066	11.6
123.11708	4.3
124.71941	1.0
125.09649	7.2
127.07584	2.3
128.00212	5.1
129.07004	2.6
131.08609	6.0
133.06500	2.7
133.10132	6.0
135.04515	1.3
135.08051	3.3
135.11726	9.9
137.05946	1.2
139.07547	1.3
139.11226	2.2
141.23882	1.0
143.08557	2.0
145.10126	13.5
146.01247	4.1
147.11685	3.4
149.02412	1.5
149.05971	2.8
149.09673	5.5
151.07535	10.6
153.09122	3.6
153.12740	1.9
155.07016	1.9
158.99677	3.9
161.01282	1.3
163.11180	33.1
167.07022	11.9
167.10664	8.4
169.08607	100.0
171.10204	2.4
173.09607	5.3
173.13274	1.9
175.14848	3.9
177.00792	1.9
177.05537	4.1
181.04904	1.8
181.06490	1.6
181.12248	18.4
182.06613	1.7
184.05382	1.5
189.11211	4.1
191.10677	19.7
199.07547	4.4
204.01758	2.4
209.08000	3.3
209.11783	6.0
209.15343	3.1
210.15082	1.1
213.17873	1.8
222.02980	2.2
226.08652	5.3
227.06989	5.7
227.09291	20.0
227.12711	26.1
227.16319	2.5
243.63756	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64167	0.2
53.03957	0.2
55.01875	0.4
55.05519	0.8
56.96572	2.2
57.03442	0.4
61.02935	0.9
65.03941	0.9
67.05495	0.2
68.37968	0.2
69.03436	0.8
70.06596	0.8
70.98125	0.5
71.05000	0.3
71.55431	0.3
72.08160	0.2
73.02921	0.5
73.06561	0.9
79.05490	0.5
81.03419	0.4
81.07068	1.1
82.42044	0.2
84.04533	0.2
84.08165	0.7
84.96046	0.3
85.02930	1.0
86.06084	0.2
90.05565	2.0
91.05489	27.6
95.04975	0.3
97.02923	0.9
98.97589	2.1
99.04501	0.3
101.00892	0.6
102.00992	0.3
102.05547	0.4
107.04944	0.5
109.06541	2.0
110.01292	0.2
110.97585	0.5
116.98622	0.4
117.01871	0.3
119.01956	1.2
119.04955	18.2
120.02064	0.5
120.05569	0.3
120.08144	0.3
121.06539	2.1
123.04443	0.3
125.01832	0.2
125.07109	0.9
127.01575	0.2
127.02445	0.2
127.03960	0.2
128.98604	0.4
130.08678	0.2
131.01924	0.3
133.03453	0.2
136.05211	0.2
137.05991	100.0
138.06337	0.5
139.06425	0.2
140.98569	0.3
143.01892	0.7
143.03648	0.4
145.01624	0.2
145.03488	0.6
146.99696	0.3
147.01431	0.3
147.03348	0.2
147.05803	1.5
147.56027	0.2
149.04834	0.2
149.05922	0.4
153.05537	0.2
155.04674	2.3
157.03511	0.4
158.99689	0.7
159.05072	0.3
161.03012	1.0
162.03154	0.2
162.05472	0.2
164.05243	0.6
164.07135	1.0
166.07585	0.6
166.08698	0.7
173.03008	0.3
177.00728	0.5
180.06577	0.3
180.10347	0.3
182.09624	0.4
185.01253	0.3
185.02937	0.9
188.97098	0.5
192.27148	0.2
194.03453	0.3
194.08090	0.3
194.09781	0.4
198.09164	0.4
199.60161	0.2
203.03975	0.8
203.05804	0.2
205.05510	0.2
208.05943	0.5
208.09691	0.7
208.60777	0.3
209.12866	1.6
211.10016	0.6
214.05943	0.3
220.99696	0.3
221.05096	0.4
226.05820	0.4
226.08679	1.0
226.10753	7.9
226.12328	1.7
226.15520	0.8
227.06662	0.3
237.21077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.48892	0.7
55.05510	0.8
55.99873	0.7
65.03933	2.2
71.05014	0.9
71.57009	0.9
77.03932	1.3
79.05495	1.1
80.17551	0.7
81.03408	0.8
81.07058	2.1
85.02907	6.0
87.44444	0.7
89.03907	0.9
91.05486	39.7
95.04960	2.0
98.97569	1.3
99.04418	1.0
99.53151	0.8
103.05476	1.1
104.85751	0.7
105.03377	1.6
105.07042	1.0
107.04935	1.3
107.08595	0.7
108.05711	0.8
109.10159	1.3
116.05273	0.7
118.04153	6.4
119.04953	46.5
119.08623	0.7
120.05827	0.6
121.02899	1.4
121.06538	0.9
121.10164	1.0
123.11706	5.7
132.02138	3.3
133.02863	1.8
135.04375	1.0
136.05228	1.3
137.05972	1.1
145.02895	0.7
146.03633	1.5
147.04416	37.4
149.02371	4.8
149.09610	1.0
151.07564	1.4
157.03998	3.9
163.03981	1.2
163.76646	0.8
164.04732	4.4
165.05571	1.0
165.07002	1.4
174.03134	1.3
175.03922	65.7
177.01872	2.9
179.07011	4.1
181.08621	1.3
182.07300	1.3
183.06534	1.1
191.05698	1.0
192.04202	22.8
207.06549	100.0
207.13828	1.7
210.06805	1.2
210.09126	0.8
214.52078	0.7
224.10672	3.2
225.05563	1.3
225.07320	1.7
225.09102	5.7
225.11372	7.1
225.14783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03957	9.3
55.01864	3.2
55.05517	32.2
56.96575	10.6
57.03442	5.0
57.07063	8.0
65.03935	3.4
67.05179	3.4
67.05513	54.3
68.99816	1.9
69.03430	2.7
69.07073	16.3
69.80308	11.4
70.98106	2.1
71.04392	2.7
71.04973	8.4
71.95214	2.4
73.06567	2.0
76.72253	1.8
79.05500	85.5
81.03406	9.3
81.07065	43.2
83.04987	38.7
83.08607	9.9
85.02888	5.6
85.06548	4.3
85.10229	1.9
87.04458	1.9
91.05487	62.8
93.07051	100.0
95.04977	28.6
95.08611	24.9
97.02891	3.5
97.06519	7.1
97.10155	3.6
99.04456	6.2
101.06031	2.5
101.94389	3.7
101.95042	72.9
104.00066	2.1
105.03378	8.6
105.04517	3.4
105.07034	41.2
107.04932	6.3
107.08611	21.6
109.06538	12.7
109.10151	4.2
111.08073	3.2
117.07025	8.8
119.04919	6.3
119.08594	26.4
119.96084	27.0
121.06555	3.9
121.10128	9.3
123.08068	10.7
123.11758	2.7
125.05990	3.5
127.07514	3.6
128.06168	1.9
129.07022	18.2
131.08574	2.5
133.10118	9.5
135.04517	2.3
137.13312	2.4
137.97108	10.8
142.97668	7.0
143.08577	8.7
145.10138	13.7
147.04454	12.4
147.08000	3.5
147.11702	51.0
149.09586	2.4
155.98196	4.1
160.98724	32.9
161.09644	4.2
161.13252	13.6
165.09140	3.1
167.10672	2.6
171.11699	29.4
175.03889	7.1
178.99747	7.7
179.07077	2.9
184.00330	6.5
189.12779	13.0
193.04961	3.6
207.06546	5.2
207.13875	15.5
210.12512	4.0
225.07405	3.1
225.09268	2.9
225.14867	79.0
225.19766	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	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35941	2.1
71.31251	2.9
82.99839	7.0
84.99050	2.4
92.08669	2.1
101.00887	71.3
104.02463	2.0
110.70231	2.1
118.96542	2.0
119.01933	100.0
124.02501	14.1
137.02959	14.6
140.98830	2.6
142.02431	4.5
142.03505	69.4
143.01888	2.7
158.99902	4.6
160.04562	10.2
161.02977	43.8
170.50092	1.9
177.00967	21.2
179.04031	47.5
179.05585	3.6
184.04546	6.9
199.50041	6.8
201.00905	2.7
202.05606	7.5
217.04085	2.7
219.02029	22.2
243.01915	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	223.9727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84937	3.4
70.13259	8.8
70.13659	6.3
75.80557	3.2
85.42791	3.3
94.93011	21.3
97.02894	3.6
126.77307	3.2
135.04834	3.9
151.53351	3.2
182.23759	3.2
205.96173	12.5
223.97252	100.0
223.99109	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	224.092
Annotation	N-Acetyl-L-tyrosine
Peak:m/z	Relative Intensity
56.96569	0.5
60.07883	0.3
60.08168	4.2
61.02917	0.3
70.99336	0.4
70.99676	0.3
73.02886	0.2
79.05514	0.2
84.08147	0.4
85.02887	0.3
89.25665	0.2
91.05486	2.3
95.04969	0.8
96.36440	0.2
98.97602	0.4
109.06499	0.3
118.06561	0.5
119.01931	0.3
119.04958	2.9
121.06506	0.4
123.04441	3.7
135.04449	1.1
136.06166	0.7
136.07619	0.4
137.05991	9.1
146.05946	1.1
147.04346	1.8
149.04738	0.8
163.03925	1.2
164.07077	100.0
165.05513	2.7
165.07362	0.4
165.09027	0.2
167.07175	0.2
168.08087	0.4
170.06686	0.4
178.08691	0.6
180.08104	0.3
181.08841	0.8
188.07587	0.3
191.07304	0.2
192.05505	0.5
194.09731	0.4
195.06641	0.3
195.10301	0.4
196.11253	1.0
206.09824	0.4
209.08405	0.9
223.09938	0.3
224.09171	16.6
224.10860	6.4
224.12827	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	224.092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
55.12779	0.1
56.96571	0.8
57.03433	0.2
58.06600	0.1
60.08165	5.3
61.02938	0.6
68.05030	0.1
68.51352	0.1
69.03434	0.2
70.06580	0.3
70.25291	0.3
70.98100	0.1
70.99860	0.2
71.04968	0.1
72.08139	0.2
73.01416	0.1
73.02934	0.6
73.99876	0.1
74.06070	0.1
81.03418	0.2
81.07053	0.1
84.04473	0.1
84.08150	0.5
85.02891	0.4
86.09715	0.2
91.02448	0.2
91.05485	2.9
93.07029	0.1
95.04967	1.5
97.02887	0.2
98.21499	0.1
98.27813	0.1
98.58271	0.1
98.97586	0.5
100.02512	0.2
101.00867	0.3
102.02394	0.1
103.05437	0.2
109.02879	0.1
109.06540	0.3
112.07563	0.1
113.00919	0.1
115.05473	0.1
116.98598	0.2
118.06555	1.0
119.01941	0.6
119.04099	0.2
119.04946	3.6
121.06500	0.9
121.40063	0.1
123.04437	5.9
127.97799	0.1
128.98637	0.1
130.06592	0.2
131.01872	0.3
132.03510	0.1
135.04425	1.1
136.06184	1.3
136.07521	0.3
137.05983	10.0
142.03421	0.1
143.01912	0.2
144.03487	0.1
146.06015	1.0
147.04323	2.4
147.06805	0.2
147.09761	0.1
149.04747	1.0
149.05817	0.2
150.09126	0.2
153.03960	0.2
154.03503	0.1
155.01938	0.3
158.99538	0.1
159.01468	0.1
161.02954	0.5
161.06010	0.3
163.03931	1.3
163.06177	0.2
164.07072	100.0
165.05496	3.8
165.07376	0.4
165.09064	0.1
167.07275	0.6
168.08009	0.8
169.08911	0.1
170.06693	0.2
173.02982	0.3
174.04411	0.2
175.02800	0.2
178.08722	0.9
179.08507	0.2
180.08075	0.4
181.08875	1.2
182.09579	0.2
182.99690	0.1
183.05009	0.3
184.04597	0.2
185.03040	0.2
188.07666	0.4
191.07292	0.1
192.05479	1.0
193.03966	0.1
193.08675	0.1
194.09683	0.5
195.06514	0.4
195.10190	0.2
196.07596	0.4
196.11198	1.5
201.00699	0.4
201.02464	0.4
201.04280	0.4
201.06010	0.2
201.56274	0.1
203.04080	0.2
205.08711	0.1
206.08141	0.2
206.09723	0.5
206.11551	0.1
208.07625	0.2
209.08441	1.3
209.10223	0.2
214.05804	0.1
219.01817	0.2
222.09149	0.4
222.11069	0.1
223.09711	0.4
224.09163	17.4
224.10854	8.2
224.12823	5.1
237.02800	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	223.133
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
51.02386	1.2
51.04424	0.7
53.03951	46.1
55.01879	9.2
55.05512	7.8
56.96571	1.6
57.03447	1.8
65.03938	3.1
67.05508	61.6
69.03432	2.4
69.07072	5.0
70.60839	1.8
71.01363	1.5
71.04993	4.6
73.02895	0.9
79.05497	31.9
81.03423	100.0
81.07063	64.2
83.04987	10.2
83.08627	4.2
85.02950	1.1
85.06561	3.2
91.05487	19.8
93.07049	33.0
95.04976	19.9
95.08609	33.9
97.06534	4.1
98.97588	3.2
99.08089	2.7
99.57130	0.8
99.97921	1.2
101.26786	0.7
103.05480	3.0
105.07043	16.4
107.04959	26.3
107.08602	10.9
109.06487	4.6
109.10150	3.0
111.08101	2.7
113.05981	1.3
115.05460	1.1
116.98669	1.4
117.07030	14.5
119.04946	1.9
119.08586	4.1
121.06522	11.1
121.10159	4.7
123.04453	3.3
123.08071	29.3
125.05960	0.8
128.06242	1.9
129.07010	2.4
131.04938	2.5
131.08563	12.5
133.06482	3.9
133.10132	3.8
135.08069	3.5
135.11703	21.3
137.09621	1.3
141.00406	0.9
141.07008	7.5
143.08585	2.7
145.06500	15.8
145.10130	4.8
149.02380	2.8
149.13235	6.4
154.07770	1.8
157.10139	1.0
158.99692	2.4
159.01816	0.8
159.08083	3.5
159.11696	16.1
163.11186	1.6
169.10139	8.4
170.81914	1.1
177.00706	1.4
177.12756	7.2
187.11197	12.4
195.13847	1.6
205.08763	0.8
205.12242	3.5
223.05965	1.5
223.13226	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	223.0964
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
55.05502	0.9
56.96568	1.5
57.06834	0.5
57.07080	6.1
58.06593	1.1
65.03933	1.7
67.05486	1.0
69.07049	0.9
71.04978	0.3
71.95284	0.4
73.02935	0.3
79.05479	1.1
79.39813	0.3
81.03405	0.9
81.07053	2.2
83.04985	0.5
83.08630	0.5
84.96030	0.6
85.02916	0.6
91.05455	1.1
93.07040	1.0
95.04966	1.0
95.08598	0.9
97.06538	0.5
98.97598	1.3
98.98457	0.4
105.07002	0.6
107.04934	0.6
107.08585	1.3
109.02899	0.5
109.06516	0.5
109.10168	1.1
111.08061	0.5
116.98598	0.8
117.07011	0.4
119.08607	0.6
121.02865	5.5
121.03940	1.0
121.06466	0.6
121.10110	1.0
123.08050	0.5
123.10944	0.3
123.11749	0.4
131.04993	0.5
131.08563	1.0
134.99561	0.4
135.04480	0.4
135.11691	1.1
137.05989	0.7
139.07581	0.5
145.06541	0.6
145.10089	0.8
147.11684	0.4
149.02344	100.0
149.13287	0.4
158.99652	1.5
159.11639	0.7
163.07594	0.4
163.11241	1.0
165.07010	0.6
167.02161	0.4
167.03355	1.8
167.07098	0.4
177.00739	2.4
177.12712	1.0
178.13161	0.4
190.05045	0.6
205.04993	0.5
205.12260	1.4
223.05795	1.9
223.09486	0.3
223.13521	2.1
223.15062	0.5
223.16956	0.7
223.20483	0.4
225.04295	0.6
241.11194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.05512	59.0
56.96572	2.5
57.55835	0.4
58.06605	1.0
58.99585	2.9
65.03956	0.5
67.05518	0.4
69.03419	0.5
70.06586	2.2
70.67008	0.7
70.67339	0.5
72.08154	3.5
73.02922	0.5
76.02224	1.5
79.05508	1.0
81.07059	1.6
83.08618	100.0
84.08148	1.9
85.02909	0.9
86.99043	4.9
88.03986	0.7
90.14096	0.4
91.05479	1.7
93.07035	1.9
95.04951	0.6
97.02896	0.4
97.06561	0.6
98.97581	9.4
101.09657	16.2
103.05492	0.8
105.00090	8.0
105.07043	1.2
107.04929	0.5
110.06029	0.4
110.97588	0.8
116.07124	1.2
116.98615	4.6
117.07024	0.4
119.04976	0.7
119.08601	0.7
120.05728	0.4
121.02867	0.5
121.06496	2.7
121.10172	1.5
122.02731	1.7
123.04453	0.5
129.10268	2.2
133.97319	0.4
134.06015	0.8
134.09610	0.6
134.99640	1.3
135.04422	0.4
136.07526	0.4
137.05994	1.7
146.05919	0.6
147.04387	1.5
147.11737	0.5
153.03069	0.7
158.01256	0.8
158.99670	1.6
159.08382	1.0
161.08359	1.6
162.05473	2.3
166.05127	0.5
170.58369	0.4
176.06975	0.5
176.10750	0.7
177.00745	1.5
178.08588	0.6
178.12276	0.7
180.10005	0.4
180.75923	0.4
183.58884	1.1
187.07878	1.0
189.07834	0.9
190.04955	0.6
190.08720	0.5
192.59441	1.5
193.09534	0.5
194.05298	0.6
201.05850	0.4
201.07835	0.6
201.10677	0.5
204.10263	0.9
205.08923	21.2
206.08072	1.8
207.08928	2.5
221.10675	0.9
222.07826	2.8
222.11290	14.5
222.14729	2.5
223.07542	0.5
223.12274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.149
Annotation	Lucidulinone
Peak:m/z	Relative Intensity
56.34545	0.2
56.96542	0.5
67.05514	0.3
69.03409	0.3
69.17971	1.4
69.18398	0.9
70.06583	0.7
71.04974	0.3
79.05466	0.4
80.05019	0.5
81.07037	0.3
82.06573	0.6
84.08137	0.5
91.05479	0.7
93.07053	0.3
94.06549	0.4
96.04500	0.3
96.08131	0.5
98.20765	0.5
98.97576	1.0
105.07019	0.7
106.06526	0.5
107.08546	0.3
107.74310	0.2
108.08112	0.8
110.60401	0.3
116.07014	0.2
116.98658	0.3
117.07021	0.4
118.06550	4.8
119.07337	1.8
120.08113	3.8
121.06486	1.1
124.07572	0.9
130.06535	0.5
131.06859	0.3
131.08560	0.3
132.04460	0.4
132.08073	1.1
133.08890	0.6
133.10168	0.3
134.05995	0.8
134.09673	3.8
134.99661	0.3
136.07594	4.3
136.11234	1.3
137.08385	1.3
137.09435	0.2
148.11226	0.6
150.09105	0.4
150.12814	1.4
152.10753	0.3
156.97511	0.3
159.06343	0.7
159.11642	0.3
160.11243	2.5
161.09631	0.6
162.05489	1.0
162.12793	0.7
168.19554	0.3
175.11194	0.5
176.06960	0.2
176.09000	1.1
176.10492	0.3
176.14346	1.5
178.12279	27.2
180.08109	0.3
187.11205	0.6
191.03297	0.3
194.04469	0.4
194.08186	0.8
194.15408	0.5
198.96948	0.5
198.98723	0.4
204.13840	7.5
207.09134	0.7
216.98085	0.3
221.10764	2.0
222.07715	2.4
222.11334	3.3
222.14894	100.0
223.12225	0.4
223.15236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03947	1.9
55.01865	1.3
55.05512	15.7
56.96570	5.8
57.03436	1.4
57.07080	4.1
59.05002	8.1
65.03967	1.1
67.05506	13.5
69.03439	1.1
69.07069	44.8
69.31480	3.6
69.31911	2.1
71.04988	3.6
71.08629	0.9
71.70058	0.7
79.05496	20.5
79.05965	1.1
81.07057	100.0
82.92381	0.7
83.04987	1.5
83.08619	10.5
85.06529	1.9
91.05486	8.8
93.07045	21.3
93.07635	1.3
95.04979	2.2
95.08608	33.3
97.06506	3.5
97.10163	2.6
98.97589	2.7
99.08099	1.3
100.72722	0.8
103.05470	1.1
105.07030	21.4
107.04907	0.8
107.08595	26.4
109.06525	5.2
109.10158	25.0
111.08083	4.1
111.11716	7.0
116.98679	1.1
117.07021	1.0
119.04951	1.2
119.08582	19.5
121.06555	0.9
121.10140	16.4
123.08089	2.1
123.11708	15.7
125.09631	6.3
127.11165	1.2
131.00165	1.5
131.04944	1.7
131.08521	0.8
132.05730	1.4
133.10133	13.6
135.04459	2.0
135.11694	9.7
137.05991	0.9
137.09633	3.4
137.13248	1.3
139.11205	2.7
145.10172	1.1
147.04420	2.5
147.11687	21.7
149.01268	3.4
149.05936	0.8
149.13278	6.0
151.11195	2.8
151.13216	0.9
152.07106	0.7
153.12755	1.9
159.11760	1.6
160.05194	1.5
161.06010	1.8
161.09753	1.0
161.13254	7.5
162.06789	3.1
163.03909	3.9
163.07645	0.8
163.14828	6.6
165.12732	4.0
175.04012	1.2
175.07539	1.5
175.14842	2.2
177.05470	1.2
177.16415	2.3
178.06303	2.0
179.03442	1.0
183.85806	0.7
186.07327	1.3
188.04652	1.4
190.06232	5.6
191.03436	1.7
191.07094	0.7
191.81168	0.7
193.08557	4.9
193.10049	0.6
203.07140	0.9
203.10672	1.3
203.17957	25.7
206.05742	5.2
213.07993	1.1
221.04521	1.6
221.08064	14.2
221.11189	1.3
221.15448	2.7
221.18987	20.3
221.20711	1.4
222.14949	0.7
222.22223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03947	2.1
55.05518	8.5
56.96568	1.4
57.07074	3.4
59.05000	0.8
65.03924	1.1
65.33579	0.7
67.05510	7.2
69.03427	1.0
69.07072	10.0
69.33083	5.3
71.05000	17.1
73.06574	0.9
77.03926	1.1
79.05495	16.3
79.05959	0.9
81.07063	74.5
83.04988	1.6
83.08622	3.6
85.06551	1.3
91.05482	11.1
93.07051	37.4
95.04956	2.3
95.08612	22.6
97.06556	2.9
97.10179	1.7
99.08102	4.6
105.07036	24.3
107.04958	0.9
107.08604	54.7
109.06532	2.3
109.10169	23.4
111.08112	3.4
113.09633	1.6
117.07088	1.1
119.08590	49.5
121.10140	8.1
123.08170	1.6
123.11720	16.8
123.80772	0.7
125.09656	0.8
127.11209	9.0
132.05704	0.7
133.06543	1.1
133.10136	24.4
135.11703	100.0
137.06017	0.8
137.09630	2.8
137.13278	2.6
137.45012	0.8
139.11279	0.8
143.08603	0.7
145.10129	2.8
147.04437	1.6
147.07979	1.1
147.11693	19.6
149.13281	6.0
149.14304	0.9
151.03902	1.1
151.11182	2.6
153.12912	0.7
157.10220	1.1
159.11678	1.1
160.05246	0.9
161.05965	0.8
161.13269	13.0
162.06822	0.7
163.03850	1.4
163.14828	3.2
165.12793	1.5
175.02742	2.2
175.07597	1.1
175.11211	0.8
175.14850	2.8
177.05615	0.9
177.16254	0.9
179.03395	1.0
179.14265	1.2
190.06229	2.6
193.03989	0.8
193.08624	1.8
193.19565	0.8
201.28314	0.7
203.10704	1.0
203.14267	1.1
203.17975	36.2
206.05719	1.7
221.04526	2.1
221.08038	7.0
221.11723	0.8
221.15695	5.3
221.19026	35.0
221.22118	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03941	2.7
55.01860	1.5
55.05310	0.8
55.05521	7.1
56.96559	2.2
57.03440	1.0
57.07062	2.9
57.18791	0.8
61.87697	0.7
64.90742	0.8
65.03941	0.9
65.24977	0.7
67.05511	8.6
69.07069	10.2
71.04993	13.6
71.57428	1.3
79.05494	17.0
81.07061	65.6
83.04984	2.4
83.08618	5.1
85.06537	2.7
86.63766	0.7
87.81738	0.7
91.05484	10.1
93.07051	31.9
95.04960	0.9
95.08610	25.8
97.06512	2.5
97.10181	2.7
98.97585	1.1
99.08104	3.9
103.05462	1.5
105.07041	22.2
107.08600	52.1
109.06502	1.9
109.10159	19.1
111.08114	1.9
111.11716	1.6
117.07048	1.0
119.04946	0.9
119.08589	41.4
121.10147	10.4
123.08080	2.4
123.11707	16.0
125.09613	1.7
127.11177	6.3
129.06908	1.0
130.04146	0.8
131.04903	1.2
131.08566	0.8
133.10139	23.4
135.04393	0.9
135.11699	100.0
137.06006	1.6
137.09628	1.9
137.13269	2.2
139.11140	0.9
145.10132	2.7
147.04407	1.7
147.11700	20.1
149.13287	5.7
150.06586	1.0
151.11160	2.2
152.41949	0.8
159.11681	1.4
160.12468	1.1
161.06001	1.7
161.09692	1.1
161.13258	12.4
162.06732	1.0
163.03934	2.5
163.07588	1.1
163.14789	4.9
165.12730	2.4
175.02730	1.8
175.07602	1.5
175.14818	3.2
177.05380	1.0
177.16409	1.5
178.06229	1.5
190.06322	4.0
191.03369	1.9
193.08667	3.9
203.17964	34.4
206.05757	2.6
221.04454	2.7
221.08058	10.8
221.15388	4.0
221.19016	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.44211	1.1
50.53643	1.2
55.05516	13.3
56.96341	1.0
56.96569	10.6
57.03424	1.0
57.07084	8.8
59.04993	1.1
65.03922	1.3
67.05178	1.1
67.05508	17.0
69.03397	1.3
69.06728	1.6
69.07071	26.7
69.07633	1.1
71.04983	4.1
71.56630	1.4
71.57028	1.3
78.91196	1.2
79.05497	9.2
81.07061	39.0
82.78961	1.0
83.04993	1.4
83.08620	9.6
85.06551	1.2
85.10185	1.9
89.30659	1.2
91.05469	9.7
92.13691	1.0
93.07049	23.3
95.04943	3.0
95.08612	48.6
97.06512	2.6
97.10158	7.1
97.99148	1.0
98.97595	9.9
99.08114	2.6
103.05480	1.5
105.07036	30.8
107.04945	2.2
107.08600	39.0
109.06508	3.6
109.10159	30.4
111.08046	2.9
111.11747	1.8
112.99135	1.9
115.05431	1.5
116.97372	1.6
116.98621	4.2
117.06975	1.8
119.04926	1.6
119.08582	27.1
121.06458	1.9
121.10143	19.0
123.08073	2.3
123.11686	7.5
125.09641	12.6
129.07060	1.3
131.00165	2.9
131.08580	2.4
132.05692	2.1
133.06529	1.8
133.10141	20.3
134.99706	1.9
135.11708	5.3
137.05968	1.8
137.09631	4.7
137.13203	2.7
139.11223	2.4
145.10138	2.6
147.04390	2.4
147.11694	33.9
149.01227	4.1
149.13243	3.2
151.03911	1.1
151.11172	5.6
151.19087	1.1
153.12701	1.4
158.01198	2.0
158.13297	1.2
159.11754	1.4
160.05167	1.2
160.84790	1.2
161.05974	2.1
161.13264	18.6
162.06787	2.7
163.03902	2.5
163.11177	1.1
163.14818	12.3
165.12788	6.8
167.02220	1.9
172.07489	2.2
175.02673	1.2
175.03999	1.3
175.07584	1.7
175.11218	1.7
175.14807	16.7
177.05455	1.2
177.16350	6.6
178.06297	1.5
179.03441	1.2
181.58212	1.1
188.04730	1.4
190.06259	4.4
191.03458	1.7
192.07855	1.2
192.94893	1.6
193.03754	1.1
193.08617	3.7
193.15953	1.8
203.17966	100.0
206.05791	5.1
206.16260	2.1
221.04483	4.7
221.08086	15.2
221.11105	2.3
221.15576	11.3
221.19014	58.3
234.12415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.01876	0.6
55.05503	0.9
56.96552	1.0
57.07068	1.1
67.05495	0.7
69.07055	0.5
70.00690	2.1
70.06570	1.4
73.04743	0.6
79.05458	0.6
81.07042	1.4
82.02922	1.5
83.08615	0.5
85.02892	0.8
87.85649	0.4
91.05499	2.8
91.74229	0.4
93.07081	0.6
94.06583	3.3
95.08626	0.9
97.02897	1.1
98.97572	0.9
103.05470	0.8
105.07014	1.3
107.04881	0.5
107.08565	0.6
109.10185	1.0
111.08033	1.0
115.05463	1.2
116.07130	1.1
119.01834	0.5
119.08581	1.0
120.08073	0.5
121.06500	1.9
127.07032	1.0
128.06232	1.5
129.07011	4.7
130.06534	44.9
132.04462	31.1
132.08907	0.5
133.06491	0.6
135.07980	0.6
137.05995	2.5
137.09608	1.3
146.06070	0.5
147.06413	0.6
147.08087	1.1
147.09140	0.7
148.07597	0.9
155.06070	0.4
157.06468	3.7
157.07625	21.1
158.06026	66.1
161.05992	1.7
162.09155	0.4
164.43817	0.4
165.09172	0.7
175.08690	100.0
176.07086	2.0
176.09044	0.8
177.09169	0.5
179.10703	0.5
180.03516	0.7
185.05957	2.4
186.05524	1.9
189.04088	2.0
191.07001	0.6
193.15916	0.6
198.04588	0.8
203.06912	7.2
204.06552	4.4
204.10176	0.8
206.16231	0.5
220.09834	0.5
221.04626	2.4
221.09239	30.4
221.15370	1.0
221.18071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.08611	1.0
53.03935	1.7
55.05511	7.6
56.96571	1.9
57.07066	3.8
57.51044	1.3
65.03951	1.1
67.05512	8.5
69.03431	1.2
69.07071	8.1
69.50864	7.7
70.06599	1.4
71.05003	11.6
77.03917	1.3
78.04691	2.0
79.05496	17.8
81.07060	65.7
81.39002	1.1
83.04975	2.1
83.08651	5.2
84.14803	1.1
85.06542	1.6
90.04692	1.8
91.05482	13.8
93.07049	32.6
95.04969	3.2
95.08049	1.8
95.08611	21.9
97.06524	2.6
97.10167	1.3
98.20724	1.3
98.97584	1.7
99.08083	4.9
101.00903	1.8
102.04666	4.7
103.05470	3.5
104.06233	3.5
105.03390	1.7
105.07034	24.5
107.04938	4.7
107.08597	52.3
108.09078	1.6
109.06541	2.5
109.10159	18.8
111.08073	3.5
115.05501	1.1
115.39575	1.0
117.59499	1.2
118.04138	2.6
119.01933	1.5
119.04938	8.4
119.08585	40.9
120.05784	1.3
121.02869	1.1
121.06511	1.5
121.10153	9.2
123.08070	1.4
123.11712	16.5
127.11234	6.5
130.04146	6.1
131.04930	8.4
132.05707	7.5
133.02892	1.8
133.06519	2.9
133.10135	21.0
135.04433	7.8
135.11702	96.0
137.05933	1.8
137.09624	2.5
137.13206	2.8
139.11139	1.6
143.01904	2.3
143.04842	1.1
143.08647	1.3
145.10141	2.2
146.03517	1.3
147.04416	21.7
147.11697	19.5
148.05211	2.6
149.05968	3.2
149.13225	5.8
150.06763	1.6
151.11182	2.6
158.03664	1.6
159.04425	2.7
159.11760	1.4
160.05247	9.6
161.03026	2.7
161.04706	1.1
161.05934	6.3
161.09714	1.9
161.13274	9.9
162.06755	15.2
163.03925	22.2
163.07539	3.3
163.14836	2.9
165.12741	2.2
175.02702	1.3
175.03937	10.8
175.07512	1.3
175.14832	2.2
176.04683	3.6
177.05473	4.4
178.06268	13.3
187.04025	1.2
188.04707	10.0
189.05475	4.7
190.06252	42.2
191.03403	16.5
191.07069	3.4
192.04135	1.1
193.08614	31.9
193.15945	1.0
203.10660	2.1
203.17975	30.8
203.20924	1.9
205.12296	1.1
206.05746	26.4
221.04504	4.2
221.08096	100.0
221.15390	2.9
221.17261	6.5
221.19017	30.9
221.21986	25.5
222.08430	2.0
232.37457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.03943	0.4
55.01876	0.6
55.05511	0.4
56.05039	0.7
56.96570	2.4
57.03442	2.9
57.07064	0.4
58.99875	0.6
61.02929	3.6
67.05508	1.1
69.03440	1.6
70.06594	1.2
70.39162	0.7
70.39559	0.8
70.99869	0.8
71.01385	0.5
72.08134	0.5
73.02931	2.2
74.02449	0.4
74.03204	0.5
74.06062	0.4
75.04499	0.6
79.05486	0.4
81.03430	1.0
81.07068	0.5
82.01461	1.5
82.02946	1.6
83.01367	0.8
84.04510	0.6
84.08155	4.0
85.02918	2.6
86.03687	1.0
87.04507	0.4
91.05470	1.0
94.06570	4.2
95.01324	1.2
96.08162	1.1
97.02901	1.2
97.08900	0.5
98.97591	2.5
99.04491	0.4
100.02507	1.6
101.00874	1.7
101.02390	0.7
101.06037	0.7
102.02402	0.6
103.00653	1.0
103.05492	0.5
104.04987	0.6
104.73230	0.4
106.06543	0.4
109.02857	0.9
110.97562	0.8
112.07620	0.5
113.00848	0.5
114.04031	1.0
115.00655	0.4
115.02427	0.5
115.03826	0.4
115.05475	1.1
116.98619	0.6
118.03503	0.7
118.06516	1.0
119.01947	3.2
120.08095	0.7
121.01655	1.6
121.06475	0.8
127.03915	0.4
128.98598	0.8
129.03946	0.8
129.05495	1.0
130.06541	63.4
131.00224	0.7
131.01907	1.3
132.04459	38.4
133.03444	1.1
134.06013	1.3
137.02939	0.5
137.06024	0.8
139.30182	0.4
140.04997	0.4
141.05490	1.5
142.51967	0.7
143.00180	0.4
143.01805	0.6
145.03481	0.7
146.06064	0.7
147.09145	0.9
148.07591	5.2
148.39014	0.4
150.05772	0.5
151.52472	0.6
152.03201	0.6
156.06819	0.6
157.03474	0.8
157.07629	24.6
158.06029	76.2
159.06369	0.4
160.02933	0.9
160.53070	1.1
161.01105	0.6
161.02896	2.3
161.05951	0.5
162.05501	1.5
164.07063	1.0
168.04483	0.7
169.03352	0.5
169.53616	0.4
170.04301	0.5
172.08247	0.9
173.03058	0.5
173.59953	5.0
175.00865	1.5
175.08687	100.0
176.04301	0.7
176.07077	1.6
176.09081	0.6
177.05176	0.7
178.08611	0.6
179.04002	1.4
182.11290	1.1
185.02919	0.5
186.05498	2.6
190.09319	0.6
191.03934	1.3
193.01875	0.7
196.99532	0.5
198.02550	2.8
198.04266	0.5
200.04356	0.5
203.02245	1.0
203.03990	0.9
203.08177	3.9
204.06551	5.3
204.08228	0.8
205.11552	0.9
206.08371	1.2
206.16037	0.5
209.04968	0.8
213.10776	0.4
219.09125	0.6
220.10072	0.8
221.03149	1.7
221.05037	1.2
221.09158	14.8
221.10786	20.3
222.09363	0.8
222.11412	0.5
222.14874	0.5
223.12335	2.1
235.12288	0.5
239.03998	0.6
239.06126	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
56.96576	1.1
69.03423	1.1
70.59389	2.2
73.06595	0.7
73.65253	0.7
77.47484	0.8
82.02953	1.6
94.06580	3.9
95.01331	0.9
97.02921	1.4
98.97582	2.4
107.44016	0.8
115.05458	1.6
120.08067	0.8
130.06535	81.3
132.04457	46.0
134.06081	1.1
146.06061	1.0
147.03316	1.5
148.07573	3.3
155.04666	4.1
157.07625	55.7
158.06021	73.9
158.99670	0.9
159.06372	0.9
159.09175	1.5
164.05168	1.2
175.08682	100.0
176.07123	2.2
185.07117	2.0
186.05472	2.4
203.08170	38.0
204.06560	5.5
221.09212	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0809
Annotation	Polygonolide
Peak:m/z	Relative Intensity
53.03949	0.8
55.01866	0.9
55.05509	4.1
56.96566	5.1
57.03427	1.1
57.07060	2.4
59.04997	1.2
65.03906	0.7
67.05503	6.0
69.03420	1.3
69.07072	8.8
69.90304	0.7
71.04987	2.4
71.26458	1.5
73.90790	0.6
78.04705	1.7
79.05501	8.5
81.06584	1.1
81.07061	23.1
83.04963	1.8
83.08602	2.6
85.06547	1.4
89.03890	0.8
91.05481	8.5
93.07053	7.5
95.04958	3.1
95.08048	0.9
95.08606	10.7
97.06535	1.6
98.97591	4.9
99.08099	0.7
102.04681	3.6
103.05481	4.2
104.06236	2.9
105.03371	1.2
105.07042	9.5
107.04959	6.3
107.08598	9.9
108.86032	0.6
109.06524	1.5
109.10165	7.4
111.04411	0.9
111.08067	1.8
111.11720	1.3
115.05419	1.4
116.98624	2.9
117.06994	1.8
118.04129	3.0
119.04947	7.3
119.08596	9.4
121.06492	2.8
121.10160	5.1
123.08044	1.3
123.11712	3.5
125.09629	1.3
129.07021	0.8
130.04150	4.6
131.04916	8.2
132.05714	10.4
133.02850	2.2
133.06537	3.9
133.10141	5.8
134.03635	0.9
134.81822	0.6
134.99672	0.9
135.04414	8.9
135.08044	1.2
135.11684	5.5
137.05974	1.3
137.09644	0.8
141.05458	0.9
143.04855	0.7
145.02823	1.9
145.06512	0.7
145.10139	1.3
146.03592	1.0
147.04417	19.8
147.11703	7.2
148.05174	2.0
149.01215	1.1
149.05981	3.7
149.13290	1.9
150.06763	1.2
150.12772	0.9
151.07600	1.2
151.11238	0.9
151.13141	1.7
157.10136	1.4
159.04399	2.7
160.05206	9.6
161.02328	1.3
161.06001	6.5
161.09593	0.7
161.13254	3.1
162.06754	14.2
163.03915	23.9
163.07507	3.4
163.11191	1.4
163.14876	2.2
165.06944	1.1
165.09085	1.8
165.12749	1.3
173.02376	1.6
174.03152	1.0
175.03934	10.1
175.07486	1.8
175.11176	1.0
175.14842	1.8
176.04732	4.1
177.05481	6.6
177.16371	1.0
178.06255	15.8
179.07008	0.8
187.03906	1.4
188.04666	9.8
189.05537	3.6
190.06255	37.7
191.03398	17.9
191.07014	3.4
191.12036	1.1
192.04105	1.1
193.08618	31.0
193.12256	2.1
203.06999	2.0
203.10698	2.4
203.14351	1.5
203.17931	4.8
205.05000	1.2
206.05765	33.0
206.16113	0.7
211.63200	0.8
221.04498	4.6
221.08096	100.0
221.11618	3.6
221.15176	4.9
221.18954	6.5
221.20941	8.4
222.08475	1.0
222.14833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.081
Annotation	Polygonolide
Peak:m/z	Relative Intensity
53.03932	0.7
55.05504	1.1
56.96574	3.5
57.07058	1.9
65.71854	0.5
67.05519	3.5
69.07065	2.6
69.20062	5.6
70.06594	0.7
71.04989	0.7
72.17103	0.6
74.96637	0.5
75.12157	0.5
78.04704	1.7
79.05501	5.3
81.07064	4.7
83.04932	0.8
83.08607	1.5
89.07940	0.8
91.05484	7.0
91.08404	0.6
93.07062	4.4
95.04966	1.3
95.08621	3.8
97.06574	0.8
98.97587	0.8
102.04690	5.4
103.05497	3.4
104.06242	3.6
105.03391	1.7
105.07029	6.1
107.04960	5.1
107.08566	3.6
109.06495	1.4
109.09496	0.7
109.10166	4.5
115.05419	1.7
116.98667	0.7
117.03294	0.6
117.07013	1.1
118.04158	2.2
119.04959	7.9
119.08582	3.7
121.06496	2.0
121.09257	0.6
121.10134	2.1
122.07311	0.8
123.08054	0.5
123.11684	1.6
130.04158	5.4
130.06445	0.6
131.04919	7.3
132.05716	6.7
133.02864	1.9
133.06500	3.8
133.10114	2.9
135.04414	8.6
135.08058	1.0
135.11687	3.6
137.06029	1.1
137.09641	1.0
138.59825	0.6
143.08554	0.8
145.02849	1.0
145.06514	1.3
145.10112	1.3
146.03621	0.9
147.04413	22.2
147.08073	0.7
147.11694	3.2
148.05183	2.4
149.02341	0.6
149.04962	0.6
149.06012	4.0
149.13219	2.1
150.06792	1.2
151.11116	0.9
157.01740	0.8
159.00876	0.6
159.04419	2.5
159.11761	0.5
160.05209	7.4
161.02319	1.6
161.05995	5.7
161.09694	0.9
161.13251	2.1
162.05472	1.1
162.06773	17.2
162.08894	0.7
163.03923	26.2
163.07539	3.2
163.14803	0.6
165.05502	0.6
165.06981	0.6
165.09087	1.0
165.12668	0.8
166.03329	0.6
167.07155	0.7
170.03798	0.6
174.03032	0.7
175.02704	2.3
175.03931	11.4
175.07483	1.6
175.11108	0.7
175.14792	1.3
176.04686	3.9
176.07213	0.6
177.05463	5.8
177.14667	1.4
178.06267	16.5
178.07819	1.3
187.03951	1.7
188.04724	9.5
189.05460	4.9
190.06256	46.3
191.03407	16.3
191.07077	2.8
192.04149	0.9
193.03899	2.0
193.08614	31.8
203.10669	2.2
203.14268	1.1
203.18024	3.2
205.05008	0.7
206.05753	28.1
206.16170	0.8
210.43356	0.6
221.04485	2.9
221.08095	100.0
221.15363	3.3
221.17297	7.1
221.19087	2.0
221.21989	13.5
222.08420	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1698
Annotation	Fabianine
Peak:m/z	Relative Intensity
60.04535	0.8
62.28022	0.1
70.02946	0.2
70.08392	0.3
88.03959	0.2
91.05488	0.7
92.75375	0.1
102.05553	2.9
102.68350	0.1
118.06552	7.6
119.07335	0.1
120.08131	0.2
121.02844	0.2
129.72589	0.1
132.07199	0.2
132.08105	2.0
133.08868	1.0
134.09668	0.6
144.08070	0.2
145.06572	0.1
146.06007	1.0
146.09663	2.4
147.10451	0.4
148.11174	0.1
153.81564	0.1
160.11304	0.1
162.09155	4.6
166.56779	0.1
175.07175	0.1
176.10797	3.1
176.14360	23.0
177.11478	1.3
190.07512	0.1
190.12263	2.2
191.13037	0.2
192.08897	0.4
202.15929	0.7
204.13783	0.2
206.11618	0.1
209.01183	0.2
220.16982	100.0
221.17343	0.9
227.02237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96539	0.8
58.06557	0.2
69.25021	1.5
69.25437	0.4
70.06555	0.3
72.08138	0.3
79.05475	0.6
80.05006	0.2
91.05497	2.8
91.06027	0.4
93.07015	0.2
94.49922	0.2
98.21562	0.4
98.97562	1.0
100.14953	0.2
104.04964	0.2
105.03390	0.8
105.07027	0.3
106.06535	0.3
115.05486	0.2
115.29507	0.2
116.98636	0.3
119.04946	0.3
119.07313	0.7
120.08114	0.4
121.06492	0.6
121.10209	0.3
122.05981	0.3
130.06522	0.2
131.04961	0.3
132.04468	2.6
132.08107	0.3
133.02855	0.3
134.06027	2.2
134.09616	0.2
135.06807	1.5
136.07530	0.3
137.05975	1.1
146.06049	0.4
147.56747	0.2
148.07570	4.0
148.11220	1.3
149.05986	0.3
150.05498	1.5
150.09132	0.6
158.09647	0.3
159.08043	0.3
160.03967	1.1
161.04720	0.2
161.08340	0.6
164.10724	0.3
165.07019	0.3
173.09499	0.2
176.10724	16.2
177.12842	0.2
178.05006	100.0
179.05299	0.5
180.05447	0.3
190.07451	0.4
191.08250	1.1
191.10707	0.5
192.08937	2.6
193.09601	0.3
201.06612	0.4
202.10179	0.4
204.14740	0.5
205.15915	1.3
206.04503	22.9
219.07982	0.9
220.06085	38.0
220.08501	6.3
220.13293	10.3
220.17903	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	220.1181
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
50.24218	1.2
50.47323	1.2
51.96768	1.4
55.01872	5.6
55.05495	2.3
55.83943	1.6
56.02221	2.0
56.05038	3.5
56.96574	8.8
57.03440	2.8
57.07079	8.7
59.04990	4.9
61.02930	18.7
62.03251	4.2
65.03931	1.5
67.05512	8.1
68.05009	1.7
69.03439	2.6
69.07059	6.5
70.02962	8.8
70.06592	4.8
70.38221	2.9
70.38576	3.1
71.01357	25.7
72.01697	11.8
72.02055	2.0
72.04521	16.6
72.08144	6.4
73.02914	4.8
74.02454	1.7
74.06062	1.4
75.04049	1.9
75.04482	39.6
76.04812	20.0
79.05495	3.0
81.03444	3.4
81.07028	2.7
83.04972	4.0
84.04523	2.6
84.08138	6.0
85.02911	4.8
85.06537	12.0
86.06062	3.0
86.09694	3.0
87.04479	15.3
87.08098	2.5
88.04789	4.8
89.02381	5.3
90.02733	3.6
90.05558	100.0
91.05467	8.1
95.04963	10.8
95.08642	1.3
96.08157	3.4
97.02900	4.1
98.02425	18.1
98.06060	12.6
98.09697	2.2
98.97597	10.3
99.08147	1.7
100.03973	4.0
103.03946	34.4
103.07610	7.7
104.04280	32.4
107.04967	3.0
113.06027	2.2
116.03474	17.5
116.98632	3.5
119.04979	1.7
120.08974	1.5
121.06506	3.3
121.10136	2.0
124.07594	23.8
131.03423	6.1
131.08572	15.7
132.03711	9.2
134.10410	1.8
136.07552	1.5
137.06015	7.5
138.06326	2.9
140.10728	7.6
141.07021	1.9
142.08641	9.4
144.10205	2.5
145.10214	1.8
146.06026	2.7
146.08159	5.5
147.08118	1.8
149.06038	2.9
158.11769	38.9
158.13010	2.7
159.02907	30.2
159.08046	18.6
160.03241	87.7
160.07591	2.8
160.09671	1.6
161.07932	5.8
162.75868	1.4
163.03999	1.9
164.03513	3.2
164.07068	2.6
164.10724	2.0
166.08620	4.2
174.05756	2.3
174.11298	3.1
176.10701	4.1
177.00755	1.8
177.09128	19.9
177.12680	2.0
178.03842	2.9
178.54048	2.6
179.02205	1.5
181.05043	1.7
184.09686	23.9
187.02454	2.6
187.04315	2.0
187.54555	8.6
188.02719	7.2
188.04248	1.6
192.02939	1.7
192.10373	2.0
193.09573	5.5
197.01303	2.6
197.02975	8.1
202.05338	3.2
202.10750	40.2
202.14342	16.9
202.60211	2.3
204.14650	5.6
205.07303	1.9
205.15881	19.3
220.02345	4.0
220.05327	13.8
220.09729	11.4
220.11768	40.2
220.13428	20.9
220.15410	9.8
220.17853	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	219.1016
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01844	0.7
56.96558	0.9
57.03411	1.2
67.05496	1.2
69.07055	0.7
70.80762	2.0
79.05499	0.9
81.07062	1.2
91.05497	7.0
93.07020	1.3
95.08557	0.7
95.72200	0.7
98.97589	1.8
103.05456	1.9
105.07018	2.5
107.08540	1.0
109.12135	0.7
115.05455	5.6
116.06223	1.3
116.98604	1.4
117.07007	2.4
119.08568	1.6
119.84184	0.7
121.10171	1.0
128.06233	5.7
129.07014	23.0
130.07727	2.0
131.04948	5.2
131.08569	24.7
133.10138	1.4
137.05995	3.3
141.06989	22.3
142.07764	0.8
143.04929	1.8
143.08540	1.2
144.05710	3.9
145.06461	4.3
146.07260	2.8
148.05180	1.1
154.93121	0.8
157.06488	13.9
158.07277	13.8
159.02942	1.1
159.04466	2.1
159.06831	1.2
159.08063	16.6
159.11659	1.6
160.05179	2.4
161.09622	2.5
161.13257	1.2
163.07555	2.2
165.07050	1.8
169.06459	10.7
170.07277	4.7
171.04344	0.8
171.08142	0.9
173.06003	3.8
173.09685	1.0
174.06770	47.3
175.07555	7.2
177.00659	0.8
177.09209	0.7
178.04959	1.5
186.06770	12.4
187.07544	1.6
188.08368	2.1
189.07036	6.8
189.09102	61.0
190.07770	17.0
191.08577	68.1
191.10576	5.7
192.08948	1.4
201.05399	1.0
201.07048	2.9
201.09076	25.6
201.16402	0.7
202.07742	1.1
203.14381	1.6
205.06458	2.0
217.39594	0.8
218.07303	4.2
218.09332	0.9
219.08035	100.0
219.10162	82.8
219.17410	10.8
220.08382	1.2
220.10416	0.7
229.07703	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	219.1128
Annotation	Abrine
Peak:m/z	Relative Intensity
54.09653	0.5
71.12232	0.7
71.12538	0.6
73.31445	0.5
74.40877	0.5
77.97926	0.5
81.81538	0.6
82.78313	0.5
84.02380	0.6
85.37158	0.6
88.03992	36.1
91.05474	1.1
99.08472	0.5
115.05482	1.6
116.93958	0.5
117.05760	3.9
117.07047	1.7
117.20231	0.6
118.06548	26.9
122.02972	0.6
130.06488	1.4
131.07391	0.7
132.08093	100.0
142.06483	2.1
143.07249	2.8
144.08081	15.6
146.06010	66.8
160.07587	1.2
170.06026	4.7
173.10748	4.6
188.07069	96.4
189.07449	0.8
219.11290	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	219.1341
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
53.09702	0.6
55.05501	1.2
56.96559	2.4
57.03432	0.9
60.04528	100.0
61.02926	0.9
64.45789	0.6
69.07067	0.9
69.59265	0.6
70.02934	0.6
70.06586	0.8
70.15290	2.5
71.01343	2.7
72.08133	2.3
75.04469	2.2
79.05437	0.6
81.03404	0.7
81.07069	0.7
84.04523	0.9
85.02893	1.2
86.09707	68.6
87.04454	1.0
87.05582	2.7
90.05553	0.9
91.05450	0.7
97.02894	1.1
98.06054	0.8
98.97590	11.8
103.03938	3.5
110.97557	1.1
113.02493	0.7
116.98629	4.5
117.05497	1.3
119.08553	1.0
121.10154	0.8
128.10699	3.1
128.98582	0.9
131.03445	1.5
132.10210	53.0
133.10124	0.9
134.99689	0.8
136.93109	0.7
137.05937	1.4
147.05838	0.7
154.93132	1.1
154.94225	1.0
155.04646	2.6
157.04935	0.6
157.07643	0.6
158.99644	1.0
159.02885	4.5
160.07568	2.1
164.05161	0.8
172.94191	1.6
173.12860	30.8
177.00616	1.2
190.95302	0.9
201.12413	6.3
201.59944	3.6
202.10693	0.9
203.14296	2.9
219.01830	1.0
219.11766	0.6
219.13406	15.1
219.17438	12.5
237.02917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05503	1.1
60.16307	0.6
67.05486	1.0
69.03449	0.6
70.79766	1.3
70.87745	0.6
79.05490	0.8
81.07062	1.1
86.09694	1.1
91.04950	1.1
91.05463	6.9
93.07043	0.7
95.08601	1.0
98.97577	2.1
103.03947	0.9
103.05466	2.9
105.07033	2.2
107.08578	0.9
115.05451	6.5
116.06264	1.4
117.06998	2.2
119.08563	1.2
121.10138	1.6
128.06232	4.5
129.07010	25.1
130.07744	1.9
131.04936	5.7
131.08575	25.1
131.12955	0.7
133.10126	1.9
137.05954	2.0
141.06995	22.1
143.04912	1.6
143.08565	1.6
144.05702	3.5
145.06464	4.4
145.10075	0.8
146.07245	2.8
149.05980	0.8
151.07539	0.9
157.06490	12.1
157.07739	0.9
158.07277	12.4
159.02878	1.9
159.04407	2.6
159.08070	17.9
159.11697	1.2
160.05223	3.3
161.09589	1.8
161.13293	0.7
163.07504	1.5
165.06981	2.1
168.05722	0.9
169.06467	9.0
169.07745	0.9
170.07323	6.3
173.05975	2.7
173.09602	1.1
174.06775	47.3
175.07552	6.5
185.06082	0.6
186.06796	9.8
187.07483	2.5
188.08354	2.7
189.07068	6.7
189.09109	62.5
190.07782	21.0
190.09511	1.4
191.08577	72.3
191.10571	5.6
192.08926	1.1
201.05392	1.3
201.07040	2.9
201.09099	25.7
201.16301	1.5
201.60016	0.8
202.07809	1.3
203.14337	2.6
205.06483	2.3
218.07434	3.3
219.08046	100.0
219.10178	88.0
219.17415	14.0
220.10646	1.1
229.07663	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	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45884	100.0
69.46294	48.2
72.08136	55.4
75.14342	17.8
84.08125	70.7
98.20753	41.7
101.25253	19.5
121.24072	22.7
195.78149	22.2
202.10950	20.3
219.02644	59.7
219.17058	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	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
56.96558	3.0
57.03441	1.3
57.33386	0.9
61.02929	17.0
69.03428	1.7
70.72610	1.2
70.72958	1.7
71.01357	31.6
73.02900	1.2
75.04483	48.1
83.04972	0.8
84.99247	1.1
85.02920	1.4
87.04468	14.9
89.02400	8.7
91.05478	3.2
94.78931	0.8
97.02878	2.3
98.97586	8.5
103.03947	61.2
103.17977	0.9
110.97602	1.0
116.98655	2.2
119.04919	1.8
120.08138	1.1
126.00761	0.9
131.03418	14.0
137.05945	5.8
156.07188	1.1
159.02898	100.0
172.94273	1.3
173.05978	1.1
177.00668	0.8
178.03883	5.6
179.00029	1.3
187.02390	11.1
187.04388	9.9
190.95181	1.1
192.59459	2.1
194.16623	0.9
196.04933	3.8
201.59911	3.0
203.14328	2.9
211.02805	1.9
219.01736	1.3
219.05000	14.4
219.11458	1.0
219.17459	9.3
229.03856	1.8
237.02730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12914	0.8
55.01876	3.6
56.96558	1.7
59.05003	0.8
61.02929	18.8
70.98182	1.3
70.98537	1.0
71.01358	33.4
75.04483	46.4
84.99261	1.2
87.04475	15.6
89.02408	9.3
98.97589	5.1
101.06030	1.8
103.03947	58.4
116.98611	1.8
131.03409	15.1
137.06023	2.2
157.78043	0.8
159.02898	100.0
160.07607	2.4
161.04462	1.0
177.00742	1.1
187.02406	7.7
187.04408	3.6
192.59456	1.0
196.04944	1.5
201.59924	2.2
203.14371	2.2
219.04987	12.9
219.06982	1.0
219.11363	0.9
219.15266	1.2
219.17480	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	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13272	1.4
55.01878	9.9
55.05508	4.6
55.94613	1.9
56.71174	1.3
56.96567	17.4
57.03425	7.3
57.59761	1.4
59.04988	4.7
60.04506	2.4
61.02929	18.7
68.99789	5.4
69.03419	6.5
70.06590	3.5
70.32710	2.5
70.91647	1.4
70.98108	4.8
71.01357	100.0
72.04504	2.2
72.08167	9.8
73.02921	8.9
73.06565	2.2
74.06073	4.5
75.04482	29.6
81.03403	3.0
82.01443	1.5
82.99835	4.3
83.04982	1.7
84.04505	6.0
84.08126	7.1
85.01119	4.0
85.02914	16.2
86.09714	6.7
87.04481	3.4
88.58620	1.6
88.99122	2.2
90.05550	4.6
91.05469	2.5
97.00546	1.7
97.01358	1.8
97.02904	9.9
98.97588	60.1
99.00841	4.3
100.02468	2.4
101.00887	29.0
101.02356	8.0
102.03738	5.9
103.00664	5.0
103.02439	2.4
103.03943	34.4
110.97576	4.1
111.00828	8.3
113.00902	7.8
113.02377	8.5
115.02456	4.5
115.03929	2.0
116.07066	2.4
116.98634	25.3
117.01884	15.7
117.04053	1.9
119.01914	46.5
120.08179	1.7
121.01673	5.4
125.02437	2.8
127.00272	12.8
127.01563	3.7
127.02418	2.1
127.03929	4.2
128.07037	2.0
128.98643	4.3
129.01862	7.1
130.05022	1.7
131.01939	22.4
131.03406	71.6
131.05371	2.8
131.96124	3.3
132.04478	2.0
133.01520	3.4
133.03459	8.5
133.04965	3.4
134.99673	7.2
135.03226	3.0
136.01920	2.2
137.02942	7.1
137.05983	6.3
141.01852	9.1
142.02594	2.5
143.00223	2.3
143.01939	2.9
143.03369	2.8
143.96153	3.9
145.01384	5.9
145.03458	3.0
145.04980	10.7
146.99696	2.0
147.01274	3.7
147.03201	6.2
147.05835	5.6
148.88876	1.6
149.01138	1.9
149.02940	3.5
149.04555	2.0
150.00807	1.8
151.04533	2.4
154.94168	3.7
155.01874	1.8
156.01869	1.8
157.04950	16.7
157.06871	4.3
158.99666	6.5
159.01381	6.9
159.02904	83.4
161.03004	2.2
165.04303	1.8
167.01028	2.3
167.52107	1.8
168.01801	6.3
169.02605	1.8
171.04900	2.2
172.95293	3.8
172.97618	4.1
173.01472	3.0
173.02977	15.0
173.06461	5.0
173.97256	4.0
175.02832	2.1
175.04532	2.4
177.00713	14.1
177.02484	5.2
185.97218	4.2
187.04417	3.3
189.00700	1.7
189.02296	2.4
190.98709	2.7
191.02243	2.6
191.04028	5.4
191.05542	1.9
191.07414	2.9
192.59427	5.5
193.03712	1.7
195.01878	4.2
196.00955	4.7
196.04718	2.0
198.02895	2.1
201.00772	3.4
201.02443	56.8
201.59985	5.4
202.05225	1.9
202.10854	3.4
203.14378	7.8
219.01807	5.4
219.03531	62.5
219.07054	9.6
219.11577	2.6
219.13484	2.5
219.17442	28.7
237.02759	4.2
239.05861	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1547
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
56.05030	1.7
69.81573	2.7
69.81970	1.1
70.05418	0.6
70.60287	0.9
71.08636	15.8
71.09010	1.7
84.04505	55.4
85.02911	3.1
88.11271	100.0
98.06071	0.9
102.05534	3.3
111.04425	1.4
127.07562	0.8
130.05008	20.3
130.92339	0.7
136.05717	0.8
151.79066	0.8
155.07028	0.9
171.14919	18.7
171.16345	1.4
172.13208	1.2
173.08138	1.3
200.12822	68.6
217.10835	0.9
217.15485	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	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.9
55.05511	4.7
56.05037	6.9
56.96576	9.6
57.03443	9.2
58.06617	1.6
58.99846	1.0
60.04525	3.7
61.02929	38.9
62.03286	1.2
68.98295	1.7
69.03434	6.2
69.07066	4.4
70.06586	2.2
70.98136	5.1
70.99855	2.1
71.01353	3.8
71.04991	1.5
71.55139	1.5
72.08166	21.2
73.01411	1.0
73.02927	13.2
73.06548	1.8
74.06084	39.0
75.04494	2.1
81.03413	2.8
82.01446	1.6
82.06596	1.1
82.99863	2.8
84.04511	26.1
84.08147	8.6
85.01431	1.6
85.02908	13.9
86.06063	2.5
86.09711	100.0
87.04469	1.7
88.99155	2.6
89.84283	1.1
90.05542	5.1
90.09201	31.9
95.01348	1.5
97.02871	5.5
98.06065	4.6
98.97591	35.6
99.04475	1.6
100.02496	1.5
100.99115	1.1
101.00897	16.3
101.02441	1.1
101.07169	1.4
103.00637	4.1
103.02451	2.5
103.03939	3.3
106.05062	1.2
109.02879	1.3
110.02146	1.6
110.97556	1.8
111.02954	1.6
113.00865	6.3
113.02404	2.1
115.02466	6.4
116.07150	1.5
116.98616	9.2
117.01848	2.8
117.04009	2.1
118.01043	1.9
118.01846	1.6
118.08662	5.5
119.01926	16.3
119.03297	1.1
120.02058	1.3
121.01688	6.2
123.02899	1.1
124.01884	1.4
124.51882	0.9
125.02650	1.5
125.04446	1.1
126.98808	1.4
127.02415	2.8
127.03921	3.6
128.07138	1.5
128.10703	1.7
128.98631	2.6
129.03004	1.2
129.03987	3.0
129.79457	1.0
130.04991	9.4
131.00159	1.2
131.01886	7.8
131.02681	1.3
131.03482	2.3
133.02435	2.6
133.03442	13.0
134.02332	1.4
134.03500	1.3
134.05020	1.2
135.03026	1.1
135.05046	1.9
137.02782	1.6
139.02411	2.5
140.03201	1.8
140.05017	4.3
142.05008	4.1
143.01811	6.3
144.03494	1.1
144.99825	3.4
145.02469	2.4
145.03496	6.3
145.04990	1.2
146.03288	1.2
146.05002	2.8
146.99644	3.6
147.01405	1.6
147.03226	3.5
147.05029	10.6
149.02928	3.1
153.05855	1.2
154.02933	3.6
155.01868	6.4
155.05588	2.2
155.11800	1.5
156.06546	2.8
156.10216	6.8
157.03555	2.6
158.99663	3.3
159.01505	2.0
159.02835	4.8
159.05099	1.3
161.02890	6.4
163.04581	1.9
165.00749	2.2
165.04269	2.1
165.06168	1.3
166.02957	1.9
167.01915	1.8
168.99861	5.4
169.03452	1.2
170.99852	1.2
171.01405	2.6
171.05055	2.4
172.99362	4.3
173.01453	1.6
173.02943	8.0
173.12865	7.7
175.03456	4.0
177.00717	11.0
177.02455	4.8
179.04041	1.2
181.03452	1.9
184.03979	3.6
184.09697	3.4
185.02989	4.5
187.00891	6.4
189.00838	1.9
189.02460	2.2
191.02173	2.4
191.03992	2.9
195.01796	3.1
196.00954	4.4
199.00885	2.0
201.00716	1.4
201.02509	3.4
201.12280	7.2
201.59842	2.2
202.07135	1.8
202.10760	12.1
203.03943	2.4
203.14381	1.7
205.02028	1.4
206.02061	1.2
207.03543	1.7
211.00790	1.2
215.00478	2.3
217.02023	1.4
219.01762	4.3
219.03496	3.7
219.07161	4.3
219.13405	21.0
219.17374	6.8
229.02003	1.4
231.03490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1223
Annotation	Liguhodgsonal
Peak:m/z	Relative Intensity
53.03946	1.3
55.01863	3.2
55.05511	33.5
56.96549	1.6
57.07057	2.9
59.04989	4.2
60.89720	0.9
67.05500	3.2
69.03426	2.4
69.06718	1.8
69.07069	24.2
69.28100	1.4
69.28451	10.2
71.08637	6.3
71.08946	1.0
73.02921	1.7
74.49245	1.1
79.05476	3.3
79.68204	0.9
81.07041	4.2
83.04980	41.1
84.04042	1.9
84.04505	26.8
85.02916	1.4
85.06529	2.6
86.09696	4.0
87.04472	3.1
88.11268	37.3
89.02367	1.9
89.06036	11.8
91.05482	8.7
93.07053	2.1
97.02883	1.3
98.21523	2.6
98.97556	1.2
99.04446	2.0
101.06018	19.4
102.04684	1.6
103.05461	6.9
105.07039	7.0
111.04443	74.2
113.06001	6.7
115.05450	10.5
116.06188	2.7
117.07007	1.8
119.04906	1.2
119.08559	1.8
123.04430	17.3
127.07548	5.5
128.06223	11.4
129.05542	10.9
129.07005	41.2
130.04138	3.3
130.05000	7.8
131.04935	16.4
131.08597	1.8
133.06522	3.0
137.05951	6.8
141.07024	2.4
142.07776	5.2
143.04922	11.5
143.08543	8.7
144.05692	4.2
145.06488	3.6
146.11766	4.8
147.04410	18.5
147.08075	3.2
148.05214	9.5
149.05991	38.5
151.07542	2.2
155.07036	74.6
156.09361	3.1
157.06483	28.7
157.10060	1.3
158.07277	2.1
160.05196	8.2
161.05984	71.9
162.06761	10.0
163.07520	2.3
170.07249	4.1
171.08072	9.6
171.11708	11.3
171.14941	6.8
173.05975	5.1
173.08102	63.7
174.06729	3.2
175.07552	100.0
176.08255	2.2
184.08852	3.7
187.07556	1.2
188.08279	7.6
189.07185	1.8
189.09116	6.9
199.09630	4.3
199.11211	15.9
200.12814	25.5
202.10048	1.1
217.10637	43.2
217.12277	94.2
217.15215	7.7
218.12683	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.032
Annotation	Dibenzothiophene-5,5-dioxide
Peak:m/z	Relative Intensity
55.01862	2.6
55.05268	2.2
55.05511	31.6
59.04987	2.4
61.02909	5.5
67.05489	2.8
69.03400	4.1
69.67677	9.2
70.06586	16.9
72.08160	9.1
73.02908	3.2
74.06075	7.7
83.04983	49.4
85.06570	4.0
86.06048	3.3
87.04440	2.5
89.02352	4.5
89.06030	13.4
96.04461	3.5
99.04443	4.5
101.00881	14.0
101.06013	25.5
103.02438	3.9
111.04447	93.7
113.05993	7.0
115.02509	2.3
116.07098	19.7
119.01931	24.8
121.01677	2.2
127.02374	3.2
127.07545	8.9
129.05505	13.8
131.01904	7.4
133.03505	3.6
136.30013	1.8
137.05975	2.6
137.10751	3.1
138.09149	3.7
142.02885	1.8
145.03471	24.1
147.01300	2.0
154.08620	5.2
155.07034	100.0
158.08160	5.1
163.04517	6.2
171.01355	1.9
173.02994	3.5
173.08112	79.8
173.13860	1.7
175.11742	1.8
176.15906	1.7
189.02446	9.1
191.03978	2.2
199.02214	9.2
199.09584	9.6
217.03259	64.2
217.06796	6.5
217.10716	64.8
217.12877	8.7
235.02928	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	214.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
53.14293	1.2
55.01868	3.3
55.05514	47.9
56.96564	3.1
57.03435	3.0
57.07071	2.1
59.05000	1.4
67.05188	1.6
67.05508	25.1
69.03436	2.4
69.07072	45.3
69.76243	4.8
69.76650	2.0
70.06593	2.0
70.07409	1.8
71.04983	4.9
72.04491	1.4
72.08138	1.4
72.74692	1.3
73.06544	1.8
76.38321	1.4
79.05492	13.6
81.07060	75.3
81.93648	1.1
83.04973	5.3
83.08624	39.4
83.97770	1.3
84.08143	1.8
85.02891	1.9
85.06559	8.6
90.94784	1.3
91.05488	12.7
93.07056	18.1
95.04972	1.7
95.08613	97.7
96.08892	1.6
97.06548	14.4
97.10184	14.4
98.97592	7.9
99.08098	3.7
101.06011	2.2
101.59329	1.2
105.07037	21.3
107.05013	1.2
107.08597	10.0
108.08911	1.7
109.06540	2.8
109.10154	7.9
111.08064	3.5
113.09604	1.9
113.28934	1.4
115.07593	3.3
119.08589	28.3
121.10130	10.5
122.10467	1.4
123.08099	10.8
127.07564	3.4
131.00197	2.2
133.10130	17.7
135.11734	14.4
137.09621	4.7
137.13264	20.1
141.09059	2.7
150.96808	1.8
151.11145	1.5
154.08621	1.4
158.99689	2.6
161.13268	54.3
173.01401	1.6
177.00720	1.5
178.16750	2.8
179.14331	15.1
196.16949	16.1
214.08614	3.2
214.18036	100.0
215.10762	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
55.05514	66.8
56.96562	1.6
57.03434	4.9
57.07077	22.5
57.12448	1.9
59.04987	3.0
65.81926	1.6
67.05506	19.4
69.03411	2.8
69.07071	62.6
70.06584	4.0
70.26595	7.2
71.04996	13.0
71.08640	10.5
71.09518	1.6
72.08160	6.4
73.06583	1.9
79.05504	11.3
80.05503	1.6
81.06590	2.6
81.07063	49.4
83.04995	16.5
83.08623	86.0
84.08127	3.0
85.06541	8.9
85.10191	5.6
86.06065	8.3
89.06059	2.2
91.05481	3.9
93.07047	26.2
95.08611	32.4
97.06548	21.9
97.10176	51.9
98.20802	2.6
99.08096	2.3
100.07625	11.9
101.05998	8.1
105.07022	4.9
107.08598	40.8
109.10181	11.6
111.04471	13.8
111.08093	23.8
111.11723	4.8
114.09159	5.3
115.07585	4.5
121.00797	8.8
121.10154	30.0
123.11716	9.7
125.09652	19.2
126.09155	13.8
128.10675	5.1
129.05489	6.4
129.09129	3.9
135.11688	11.1
139.01785	9.9
139.11186	5.9
139.14798	4.2
144.02354	5.2
145.77408	1.7
155.07033	14.4
156.17497	2.7
162.03453	8.8
163.14825	100.0
173.08115	13.2
181.15880	60.6
190.41196	1.7
198.11279	21.0
198.18542	29.9
199.16937	5.7
215.46069	1.8
216.06598	2.1
216.10439	3.6
216.12341	33.2
216.14235	3.1
216.19682	11.9
217.10788	11.1
220.43282	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
56.05038	3.3
56.77222	2.3
56.96570	27.6
57.03439	15.0
58.99874	3.3
61.02648	3.4
61.02934	55.5
68.98288	1.9
69.01923	1.9
69.03434	7.0
70.06596	4.9
70.82126	3.2
70.82480	2.9
70.98133	2.8
70.99847	6.4
71.04979	5.3
73.02916	11.6
75.91275	1.9
81.03409	2.7
82.01443	5.9
82.99847	6.2
83.00811	2.3
83.04987	2.2
84.08167	2.3
84.95991	2.3
85.02909	15.3
87.00858	2.4
89.00904	3.5
90.02426	2.3
91.02470	2.2
92.00679	2.0
97.02936	4.1
97.07646	3.0
98.97585	4.8
100.02503	6.9
100.99144	8.8
101.00887	44.6
101.01540	1.9
102.02393	3.2
104.01302	3.2
110.01409	2.1
110.97553	7.3
111.02937	4.2
112.07644	4.6
113.00869	7.1
113.01705	3.1
115.02445	10.3
116.98594	3.0
117.01859	3.1
119.00182	3.1
119.01929	46.0
120.03446	18.4
126.03424	5.9
126.97064	1.9
126.98798	3.9
127.02438	21.6
127.03883	2.4
128.02208	2.4
128.98601	6.4
129.03999	7.9
131.01912	14.8
132.00732	2.8
133.03465	22.2
135.03993	4.0
137.02975	2.6
137.05954	3.8
140.06992	2.8
143.01894	19.7
144.03398	2.3
144.98077	3.4
144.99788	5.7
145.02470	4.8
145.03465	100.0
146.99677	3.2
147.01346	2.6
147.04980	2.4
148.29962	2.3
149.02904	4.2
150.05443	3.2
151.04512	2.9
152.03117	2.9
154.02904	12.7
155.01880	4.5
156.05080	7.6
157.03470	3.8
159.01447	3.6
160.02882	3.8
161.02910	20.4
162.99109	4.2
163.03410	4.9
163.04568	13.3
165.00801	3.7
168.01466	7.1
168.05136	3.4
168.06485	3.1
168.07771	2.8
168.99821	3.1
169.03494	2.4
172.97604	2.8
173.01489	2.9
173.02969	20.6
175.03458	9.9
177.02415	13.2
184.03993	7.5
185.03085	4.7
186.06097	2.5
187.00847	4.0
189.00687	2.3
190.98691	10.2
191.03996	20.0
195.03497	4.5
196.06201	3.5
196.09634	4.0
200.04037	14.9
203.04100	5.5
205.04495	7.0
208.99727	10.7
214.05441	2.6
214.08899	4.1
214.10768	8.0
214.12355	5.5
215.00264	3.6
221.05098	14.0
231.03593	1.9
232.04738	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	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84221	0.8
53.03951	1.1
55.01868	5.9
55.05509	15.1
56.96532	0.8
57.03434	1.5
57.07069	2.4
67.05506	5.0
69.03425	2.9
69.06718	1.5
69.07068	17.1
70.06565	1.1
71.04992	4.6
71.56033	1.0
71.56458	1.1
72.08174	1.0
79.05488	5.4
81.03396	3.1
81.07057	18.9
82.49569	0.8
83.08614	11.8
85.02888	1.4
85.06532	5.1
88.07647	1.1
91.05479	3.8
91.58109	1.5
93.07045	16.3
95.04976	1.0
95.08608	35.4
96.08102	1.1
97.10174	8.5
98.97561	0.8
99.08093	21.3
99.08744	1.4
100.11279	7.3
105.07028	3.0
107.04946	1.4
107.08597	34.9
109.02887	3.1
109.10157	10.1
111.04465	1.2
111.08082	14.1
113.09647	2.5
117.13885	0.9
119.08533	1.1
121.10145	56.2
123.11707	2.6
125.09646	7.5
125.13222	1.0
127.03919	8.1
135.11685	14.6
137.13266	9.8
139.11200	1.7
141.11491	3.6
149.09653	1.6
149.13275	4.9
177.09001	1.1
177.16389	100.0
182.15356	3.0
195.10298	1.0
195.17471	16.5
199.18066	2.3
213.05490	2.7
213.07460	1.5
213.09372	1.4
213.12891	1.2
213.14571	0.9
213.16266	1.3
213.18134	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	213.1488
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03933	1.5
55.01876	10.1
55.05515	45.7
57.07050	0.8
59.04984	0.8
66.65628	0.6
67.05172	1.1
67.05509	18.4
67.05869	1.2
69.03437	5.5
69.06724	0.8
69.07069	9.7
69.81840	3.0
71.04999	46.9
79.05061	1.0
79.05499	12.0
81.03418	0.9
81.06586	0.9
81.07060	19.8
83.04993	4.2
83.08623	32.1
85.06537	4.6
87.04472	6.7
90.36710	0.6
91.05476	3.2
93.07052	11.1
94.81374	0.6
95.04973	0.6
95.08607	6.3
97.06538	68.8
97.10174	40.5
98.21391	1.1
99.08099	0.7
101.09669	1.7
101.21758	0.6
102.26576	0.6
102.62273	0.6
102.80510	0.6
105.07073	1.6
106.58205	0.7
107.08596	15.1
109.06543	1.7
109.10163	10.5
111.08110	3.6
113.05993	0.7
114.92738	0.8
117.07033	3.2
121.06519	1.8
121.10139	2.6
123.08086	0.7
125.09634	25.8
127.03907	0.9
131.08565	2.9
133.10127	2.7
134.79713	0.7
135.08101	4.2
135.11710	3.6
147.11731	1.1
149.09584	1.2
149.13255	4.1
153.09067	1.4
159.11676	4.5
171.10147	2.0
177.12730	5.6
189.11284	4.8
195.11975	1.0
195.13812	34.8
213.14859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03927	1.5
55.01860	3.6
55.05514	12.8
57.07067	2.9
67.05494	3.3
69.03402	2.4
69.07072	19.7
70.70114	1.8
70.70432	1.2
71.05013	4.8
71.08614	1.0
72.08160	1.5
79.05482	3.9
81.03424	2.9
81.07059	19.8
83.04985	1.6
83.08629	11.0
85.02922	1.3
85.06528	4.2
86.09587	1.0
91.05488	4.7
91.58104	1.0
93.07061	17.7
95.08614	37.8
97.06506	2.1
97.10184	8.6
99.04408	1.2
99.08099	22.8
100.11253	3.5
103.49267	0.9
105.07028	3.5
107.07866	2.1
107.08595	36.8
109.02867	2.0
109.10153	7.8
111.04447	1.7
111.07378	1.4
111.08095	16.0
113.09635	2.8
115.07510	1.1
119.08614	1.7
121.10153	62.6
123.11671	2.8
125.09626	9.0
127.03912	6.7
135.11702	13.2
137.13260	8.9
139.11192	1.9
141.11482	2.9
145.10188	1.0
149.09608	1.5
149.13316	4.8
167.10707	1.4
171.11664	1.1
177.09157	1.1
177.16396	100.0
182.15370	1.3
195.17448	17.1
199.18111	1.6
213.03807	1.5
213.05621	2.3
213.09169	1.4
213.12859	1.2
213.18428	9.4
231.06523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	MKN-003B
Peak:m/z	Relative Intensity
53.03938	6.8
55.05499	20.0
56.96566	8.9
57.03431	15.2
57.07092	8.5
67.05512	67.5
69.07079	36.0
70.06592	6.4
70.52877	12.3
71.04992	11.6
73.99901	3.7
79.05492	42.2
81.03426	5.8
81.07066	100.0
83.04982	15.2
83.08642	24.2
85.02909	14.9
85.06566	4.9
88.07638	14.1
91.05469	19.0
93.07052	61.5
95.04980	5.8
95.08634	31.1
97.06541	17.5
97.10160	4.5
98.97555	5.5
99.08070	6.0
105.07037	7.2
107.08606	31.4
111.08096	7.4
112.75707	3.8
113.09655	5.0
116.98627	4.6
117.07043	11.0
119.08613	11.9
121.10128	20.8
125.05931	3.9
125.09581	4.8
128.06201	4.8
129.07054	6.6
131.08572	8.0
133.10127	10.6
135.11697	20.6
137.06044	4.2
143.08559	10.0
145.10130	4.7
149.09589	4.1
149.13274	53.6
157.10117	9.1
159.11703	20.6
167.02065	6.4
167.07001	5.1
171.11751	5.9
177.12775	11.8
184.18794	5.2
185.13165	4.7
195.06543	9.1
195.13803	12.8
213.09302	6.4
213.12825	8.3
213.14613	6.0
213.16560	20.1
213.18356	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	213.1486
Annotation	MKN-003B
Peak:m/z	Relative Intensity
53.03950	3.1
55.01881	3.0
55.05518	17.3
56.96550	4.0
57.03445	10.5
57.07075	4.4
65.03947	1.5
67.05510	72.4
68.22250	1.2
69.03432	3.3
69.07074	29.0
69.49973	5.3
69.50415	4.5
70.06607	1.4
70.59659	1.1
71.04995	9.0
79.05497	39.9
81.03402	5.7
81.07063	100.0
83.04985	8.4
83.08631	22.2
85.02934	1.3
85.06552	6.2
88.07639	3.5
91.05486	24.1
91.67570	1.3
93.07049	71.8
95.04972	4.4
95.08620	24.6
97.02925	1.4
97.06546	17.2
97.10197	2.4
98.97613	3.7
99.04493	1.8
99.08088	4.1
105.07045	10.9
107.08605	31.6
109.06526	2.8
109.10139	4.2
111.08083	9.5
116.98629	1.3
117.07027	12.7
119.08591	6.2
121.10155	18.8
123.11729	5.3
125.02360	5.9
127.03910	4.5
128.06215	1.7
129.07072	2.0
131.08592	11.3
133.10149	16.3
135.08043	4.3
135.11711	20.4
137.06007	2.5
143.03415	3.2
143.08571	2.7
145.10129	5.5
147.11714	1.6
148.97322	2.2
149.09619	1.6
149.13271	43.8
151.03896	1.5
151.11165	2.1
154.91969	1.2
157.10165	6.3
159.11703	21.8
167.06982	1.7
167.14310	2.3
171.11742	5.0
177.12772	9.5
195.02896	2.7
195.06575	2.6
195.12170	1.9
195.13823	15.0
213.05544	2.6
213.11157	2.1
213.12981	2.8
213.14632	1.9
213.16396	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	212.1647
Annotation	Elaeokanine C
Peak:m/z	Relative Intensity
55.01867	1.2
55.05513	2.5
56.05037	0.4
56.96569	4.9
57.03430	0.8
61.02933	0.5
65.03926	0.4
67.05499	2.1
68.05035	1.2
69.03427	1.3
69.07058	1.8
69.92548	0.5
69.92828	2.0
70.06600	4.2
71.05004	0.6
72.08160	1.1
73.02910	1.6
79.05492	1.2
80.05001	1.8
81.03431	0.8
81.07065	2.4
82.06580	1.1
83.07368	2.2
83.08625	1.0
84.04536	0.4
84.08147	5.5
84.96029	0.5
85.02910	1.6
86.06075	2.1
87.04472	0.4
91.05490	3.1
93.07053	1.7
95.04967	0.6
95.08622	1.8
96.04497	0.6
96.05286	0.4
96.08136	11.9
97.02916	2.0
97.06565	0.9
98.06059	1.0
98.97580	4.3
100.07611	0.5
103.05455	1.4
105.07046	0.7
107.08627	0.9
108.08112	0.7
109.06554	0.4
109.08932	0.8
109.10142	0.8
110.06065	1.2
110.09681	1.4
110.10447	0.4
110.97591	2.1
111.04430	0.5
111.08070	0.5
112.07590	0.4
116.07121	0.5
116.98624	2.0
119.01813	0.5
120.08093	0.8
121.06522	2.1
123.11643	0.4
124.03955	0.8
124.07629	0.5
124.11240	0.6
127.03912	1.7
128.98605	1.5
131.04932	1.8
131.08635	0.6
132.04362	1.0
133.06500	0.6
133.10121	0.6
134.06013	0.6
134.99654	0.5
136.07565	1.4
137.05986	1.3
138.06310	0.6
138.12758	0.8
143.03595	0.5
146.02301	0.4
146.99666	1.0
147.04515	0.4
148.07381	0.5
148.11174	0.5
150.09131	0.6
154.06459	0.6
158.99669	1.3
159.38268	0.4
161.01248	0.4
162.05396	0.4
163.03897	1.9
164.47977	0.3
166.08646	1.0
166.15919	4.3
167.07065	0.8
169.06512	0.5
170.99617	0.6
176.14317	1.6
177.00697	1.2
188.60500	0.4
189.00777	0.8
191.02769	1.0
192.10292	0.8
194.08221	1.0
194.15416	63.8
195.05156	0.5
197.05931	0.9
197.08430	0.4
201.00587	0.5
208.01277	0.5
212.07101	1.7
212.10992	4.8
212.16460	100.0
213.07794	0.8
213.16776	1.0
218.99663	0.5
219.01691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1646
Annotation	3alpha-Isobutyryloxytropane
Peak:m/z	Relative Intensity
50.62114	0.5
53.93121	0.6
55.05516	1.9
55.11008	0.6
56.96563	9.2
57.07071	1.3
57.41515	0.6
57.57392	0.8
59.05001	1.5
59.71520	0.7
60.24781	0.6
65.03934	3.0
67.05515	8.7
68.05021	1.1
69.03429	0.9
69.07078	5.3
70.06591	1.1
71.08636	19.6
71.56590	0.9
78.29790	0.6
79.05497	2.5
80.05012	1.4
80.56870	0.6
81.07065	2.6
82.04193	3.4
82.06586	3.6
83.04993	1.3
84.96012	0.8
86.06070	3.8
87.04470	0.7
87.08147	0.8
88.11253	1.1
88.60217	0.6
91.05512	0.9
92.05029	1.0
93.03410	15.5
93.07063	1.7
95.04980	1.5
95.08627	1.8
97.06536	23.0
97.99173	1.1
98.06068	1.9
98.97580	1.0
99.08084	1.2
105.06986	1.2
109.02885	0.8
109.10162	0.7
110.06052	19.1
112.03986	0.6
112.99087	0.8
114.09161	1.8
124.07594	9.6
125.05997	95.7
127.03899	2.1
128.98576	0.7
131.00160	2.2
136.07561	1.8
138.09143	1.1
142.08646	3.8
149.01236	4.8
152.14304	1.0
154.03343	0.6
161.02896	0.7
161.46965	0.6
166.08618	1.7
167.02238	1.5
168.10234	0.8
170.08109	0.7
180.13840	6.4
184.09355	0.9
184.16998	7.1
193.04935	0.7
194.08099	1.6
195.06461	0.7
203.10081	1.3
212.09218	1.8
212.16464	100.0
212.23697	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	211.1694
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03925	0.7
55.01859	1.0
55.05509	3.9
55.90124	0.5
56.38348	0.6
56.96571	14.2
57.03436	1.7
57.06840	0.5
57.07076	4.3
59.05000	1.2
60.38083	0.6
65.03952	0.5
67.05509	8.4
69.03426	1.0
69.06779	0.5
69.07074	6.0
69.41959	0.9
69.42370	3.0
71.04653	0.6
71.05006	5.8
72.08167	0.7
74.97623	0.5
77.03897	0.5
79.05494	5.1
81.03430	2.7
81.07061	44.0
83.04977	1.4
83.08626	3.3
84.96036	2.8
85.06561	1.5
87.04475	5.7
91.05486	3.8
93.07050	7.6
95.04967	2.1
95.08053	1.0
95.08611	12.8
97.06519	3.1
97.10130	0.7
97.99184	5.5
98.09981	0.5
99.04451	1.4
99.08080	2.0
103.29353	0.5
105.07035	3.9
107.08603	5.8
109.02908	0.7
109.06523	2.3
109.10165	4.6
111.08058	1.6
115.07548	1.6
116.00211	2.2
119.01928	0.7
119.08602	4.6
121.10155	4.0
123.04415	0.6
123.08070	1.4
123.11716	65.6
125.09670	0.7
125.13242	1.2
129.06972	0.6
131.08575	0.9
133.06479	0.6
133.10110	6.0
135.08025	0.5
135.11697	9.0
137.05984	4.2
137.09630	1.6
137.13322	0.8
138.95915	0.4
141.09111	1.3
141.12756	0.6
143.99695	0.8
144.58284	0.5
145.16595	0.5
147.11716	2.7
149.13269	2.9
151.03886	1.3
151.11191	100.0
152.11540	0.5
153.12756	1.2
155.08559	0.7
155.10732	1.0
157.10153	0.8
165.12729	1.0
167.07091	3.2
167.08501	0.6
167.14275	0.6
169.10094	0.8
175.07516	0.5
175.11182	1.1
175.14828	4.9
179.07204	0.5
181.04971	0.6
183.06581	0.8
193.05061	0.6
193.08652	0.9
193.12291	2.1
193.15862	2.9
211.05904	1.0
211.07712	1.7
211.11331	0.5
211.13130	0.8
211.14890	2.2
211.16896	12.7
211.21658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.13618	0.9
53.03944	2.0
55.05513	15.1
56.96550	4.3
57.03440	1.5
57.07066	4.7
59.04991	2.0
67.05507	32.7
69.03434	8.2
69.07074	19.0
69.39603	6.2
71.05001	7.8
79.05491	6.5
81.03400	3.9
81.07062	29.7
83.04991	13.5
83.08623	11.0
85.06563	5.4
86.94060	1.1
91.05489	4.4
93.07056	14.3
95.04977	13.1
95.08612	56.4
97.06547	2.8
97.10173	2.6
97.99171	3.4
99.04470	1.4
99.08090	9.8
105.07023	10.4
107.08601	26.6
109.06532	11.3
109.10164	100.0
111.04518	1.5
111.08095	5.4
113.06034	1.1
114.48474	1.0
115.07562	2.8
116.00204	1.3
119.08588	23.5
121.10152	11.7
123.08074	14.0
123.11689	10.5
125.09602	2.9
126.74343	1.1
127.11190	1.2
131.08630	1.9
133.10133	26.9
135.11703	64.0
135.15111	1.2
137.05980	2.9
137.09618	23.4
139.11136	4.2
147.11690	4.2
149.13261	7.2
151.11197	8.7
151.14839	11.5
153.12758	3.8
155.10661	3.5
160.99142	1.2
163.14830	3.6
165.16397	3.2
167.07018	4.6
175.11064	1.4
175.14828	32.1
193.12195	1.9
193.15889	27.3
211.15105	1.0
211.16922	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01861	2.3
55.05264	1.6
55.05515	22.4
56.96565	12.7
57.03184	1.6
57.03434	7.9
57.07064	5.1
59.05001	1.8
66.14147	1.1
67.05175	2.0
67.05509	31.9
69.03430	6.0
69.06721	1.9
69.07072	22.8
70.80635	2.4
71.04995	10.3
71.08629	1.6
71.16483	1.3
72.08168	1.6
77.40439	1.3
79.05493	7.9
81.03408	5.8
81.07059	37.7
83.04984	14.4
83.08618	18.1
84.96011	2.6
85.06553	8.8
91.05482	12.0
92.05751	1.4
93.07053	26.0
95.04977	7.2
95.08611	58.2
97.06532	10.4
97.10157	4.5
97.99179	5.0
99.04436	1.5
99.08093	4.1
105.07027	13.1
107.04931	2.2
107.08601	29.7
109.06511	13.7
109.10162	94.9
109.75730	1.3
111.08091	46.3
113.06007	2.3
113.09634	1.9
115.07603	1.5
119.08585	47.3
121.10139	27.7
123.04403	2.3
123.08074	49.5
123.11714	22.6
125.09636	10.8
127.11183	3.1
129.06953	2.2
131.08571	2.3
133.10135	47.1
135.11703	60.1
137.05963	5.7
137.09624	100.0
137.13261	4.8
138.10464	6.7
139.11220	6.1
145.10106	2.3
147.11664	10.6
149.06010	1.8
149.09608	1.9
149.13275	15.4
151.03961	1.4
151.07559	1.9
151.11185	6.7
151.14844	11.5
153.12766	1.5
157.10020	1.8
163.11140	2.1
165.12746	13.1
165.16380	4.6
167.07008	11.4
169.10182	1.3
175.14835	68.0
178.13562	3.1
183.06543	1.8
193.12227	5.1
193.14192	2.7
193.15900	45.9
211.05870	2.3
211.09550	1.6
211.13223	2.9
211.14958	2.8
211.16931	50.9
229.07599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
53.03942	1.7
55.01877	21.1
55.05264	1.0
55.05517	16.2
56.96571	5.2
57.03429	3.0
57.07089	1.5
59.04998	1.6
65.03938	1.4
67.05509	36.9
69.03428	1.4
69.07076	18.4
70.31091	0.8
71.04993	7.3
79.05499	25.8
81.03433	0.7
81.07063	100.0
83.04987	8.5
83.08625	9.3
84.96042	1.4
85.02930	0.7
85.06555	6.7
91.05487	37.6
93.07053	17.8
95.05000	4.4
95.08617	24.9
97.02899	0.9
97.06554	10.3
97.99205	2.3
98.20801	2.1
99.04444	0.7
99.08108	3.0
101.06013	1.3
101.90361	0.7
105.07038	43.5
107.08598	13.5
107.09292	1.0
109.06518	8.4
109.10178	2.7
111.08098	1.4
113.06033	2.0
115.05490	1.0
115.07613	0.9
116.00264	0.8
117.07030	1.3
119.08593	38.4
120.57146	0.6
121.10154	25.1
123.08121	4.8
123.11718	32.0
127.07590	2.2
129.07013	4.5
131.08592	5.4
133.10143	15.3
135.11716	3.4
137.05998	2.0
137.09625	1.0
137.13264	2.5
142.07848	0.9
145.10191	1.2
147.11694	59.1
148.69543	0.9
149.09644	2.0
149.13335	0.9
151.07520	0.8
151.11224	1.2
157.10161	7.1
165.12776	10.5
167.07098	1.7
175.11201	8.9
175.14879	1.8
175.34746	0.7
193.05066	0.8
193.12283	8.9
194.08235	0.8
211.13274	4.4
211.16959	2.5
211.21814	0.9
229.14420	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	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
53.15323	1.0
55.05272	1.3
55.05515	17.7
56.05858	1.2
56.96571	6.5
57.03428	3.5
57.07074	5.6
59.04987	3.9
59.84225	0.9
67.05509	65.0
69.03431	5.7
69.07074	17.6
69.41449	8.7
71.04987	5.2
72.08154	1.5
78.93575	1.0
79.05504	8.3
80.25043	1.0
81.03397	1.7
81.07065	33.0
83.04984	9.6
83.08625	12.5
85.06557	12.4
91.05499	6.4
93.07047	16.0
95.04977	7.5
95.08615	69.2
97.06513	3.7
97.10181	6.7
97.99178	1.7
98.98476	16.5
99.08098	8.2
101.06016	2.9
105.07015	8.7
107.08601	20.0
109.06535	6.6
109.10167	100.0
111.04440	1.3
111.08070	6.3
113.06035	4.9
113.09654	2.1
114.71181	1.0
115.07565	3.5
117.07018	1.1
119.07784	1.8
119.08586	22.1
121.10162	11.6
123.04415	1.8
123.08085	9.0
123.11708	8.9
125.09615	2.8
127.11202	4.5
131.08521	1.5
133.09123	1.2
133.10136	22.5
135.11702	46.9
137.05957	3.3
137.09630	17.9
139.11198	2.5
147.11702	6.9
149.13257	9.1
151.11154	7.9
151.14825	6.2
153.12680	1.1
163.14827	10.0
165.12752	1.4
165.16415	3.0
167.07062	11.0
175.14830	28.3
181.15796	1.5
182.58542	1.1
183.15779	6.0
193.12207	1.5
193.15895	27.5
211.07681	1.5
211.09447	1.6
211.15152	2.8
211.16939	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	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03937	4.5
53.23865	1.2
55.01868	8.6
55.05513	41.6
56.96568	74.8
57.03436	12.1
57.07063	2.7
62.66481	1.2
67.05508	41.7
69.03436	11.5
69.07070	16.0
69.25658	3.1
69.26077	11.1
71.04991	8.7
74.97578	1.9
79.05061	2.2
79.05497	36.9
81.03423	100.0
81.07059	53.2
83.04483	2.8
83.04983	49.1
83.08619	39.3
84.96031	14.2
85.02898	2.9
85.06534	4.5
91.05487	36.1
93.07041	27.0
95.04973	36.2
95.08607	33.6
95.78752	1.3
97.02890	4.1
97.06530	9.6
97.10175	10.3
97.99186	30.0
99.04443	2.4
99.08103	3.4
105.06317	1.6
105.07025	31.6
107.04991	8.2
107.08602	13.6
109.06500	9.1
109.10154	12.7
111.04430	3.7
111.08084	15.2
113.05985	3.5
115.05428	3.1
116.00240	11.9
117.07002	2.5
119.04974	1.7
119.08591	27.1
121.06522	2.1
121.10156	15.4
123.04417	2.5
123.08081	7.4
123.11698	5.1
125.05995	1.9
125.09647	3.2
125.98615	2.8
127.07518	1.6
129.06999	12.4
131.08560	13.6
133.06511	3.6
133.10130	18.6
135.07959	1.5
135.11639	3.3
137.06015	9.0
137.09622	6.5
137.13266	3.4
139.01892	1.7
141.96916	1.8
142.07809	2.9
143.99695	3.1
147.08052	2.8
147.11690	21.1
149.09610	5.2
151.03923	1.4
151.07556	3.8
151.11073	2.4
151.14758	1.8
157.10135	16.1
164.97020	1.7
165.09175	2.3
165.12737	6.7
167.07031	4.1
167.10684	3.4
169.10123	2.6
175.11194	20.6
175.14766	6.9
183.06480	2.0
193.08548	3.5
193.12256	57.7
193.15901	4.5
198.58641	1.3
211.07768	2.2
211.09702	2.1
211.13249	38.4
211.14742	3.2
211.16904	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	211.1331
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02367	1.3
53.03950	5.0
55.01874	9.0
55.05517	41.4
56.96572	35.8
57.03446	15.4
57.07099	1.9
59.05004	3.0
67.05511	40.3
69.03432	12.4
69.07077	14.0
69.67894	5.0
69.68307	2.3
70.06614	1.2
71.04998	7.2
72.08156	3.8
73.02911	1.7
74.97631	1.8
79.05062	2.5
79.05502	36.5
81.03426	100.0
81.07063	48.2
83.04991	49.2
83.08626	38.2
83.29978	1.2
84.96038	6.6
85.02909	2.6
85.06559	4.6
91.05490	37.3
93.07053	26.0
95.04979	37.7
95.08616	24.5
97.02894	6.7
97.06535	6.5
97.10182	8.2
97.99201	12.3
98.20811	2.0
98.97600	1.7
99.04460	2.1
99.08091	4.9
103.05508	2.2
105.07040	28.9
106.04181	1.8
107.04979	8.8
107.08610	14.5
109.02888	2.7
109.06544	9.6
109.10165	14.9
111.04429	4.5
111.08090	15.9
113.06015	2.1
113.09699	1.3
115.05464	3.4
116.00237	5.4
117.07024	2.0
119.04966	3.4
119.08594	30.3
121.06543	3.6
121.10152	12.2
122.03621	1.3
123.04460	5.0
123.08075	8.2
123.11727	6.0
123.15327	1.3
125.05983	1.5
125.09615	6.1
129.07024	14.2
131.08583	14.7
133.06499	5.1
133.10146	18.7
135.11708	7.4
137.06009	16.3
137.09624	7.3
139.07550	1.8
142.07803	2.5
143.99678	1.6
145.10141	1.7
147.04387	2.9
147.08058	6.9
147.11700	23.7
149.06062	1.2
149.09625	8.7
151.03909	3.5
151.07570	3.8
151.11166	3.0
155.08591	1.6
157.10147	21.1
164.97141	1.7
165.09109	1.8
165.12744	6.8
167.07056	26.9
167.08432	2.0
167.10677	2.6
169.10164	2.5
175.11206	22.8
175.14851	5.3
179.07072	3.5
182.10983	1.2
183.06560	2.9
193.04936	1.5
193.08601	3.4
193.10466	3.2
193.12263	57.2
193.15927	4.6
193.74315	1.2
196.12520	1.5
197.02898	2.6
199.06409	1.6
211.06027	3.2
211.07625	5.1
211.09653	3.8
211.11349	1.6
211.13232	33.8
211.16611	6.5
212.09177	1.5
217.07497	2.3
229.07484	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03942	4.3
55.01875	4.2
55.05513	100.0
55.69772	1.6
55.73315	1.9
56.96568	3.8
57.03436	4.3
57.07087	2.8
59.04999	5.1
60.76767	2.0
67.05501	13.7
69.03429	7.0
69.07070	9.7
70.12815	7.6
71.04996	4.9
79.05505	6.3
79.10104	1.9
81.07055	20.3
83.04984	92.8
83.08621	50.9
84.08144	2.3
85.06554	4.5
91.05478	7.4
93.07054	16.8
95.04971	23.4
95.08605	12.4
97.06532	20.5
97.10170	12.1
99.04468	5.4
99.08086	2.8
105.07028	9.8
107.04934	2.8
107.08598	32.3
109.06514	32.6
109.10159	29.0
111.08088	17.5
113.06028	1.9
113.09692	2.5
119.08604	3.4
121.06565	3.6
121.10155	20.9
123.08068	6.1
123.11725	15.2
125.09626	23.4
126.79517	2.0
131.08565	7.0
133.10120	24.3
135.08078	3.3
135.11723	3.5
145.10167	1.8
147.11737	2.4
149.05922	3.3
149.09634	8.2
149.13222	11.1
151.11186	65.8
153.09103	14.3
163.14827	2.9
167.14319	94.3
173.13313	11.3
179.20689	1.8
181.06578	4.2
191.10672	1.8
191.14322	10.4
194.07552	2.0
198.69743	2.2
209.06204	3.3
209.08084	5.3
209.09853	5.8
209.11696	1.9
209.15369	54.7
214.56665	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03934	3.1
55.01866	3.4
55.05274	2.4
55.05513	36.3
55.26614	1.5
56.96555	3.6
57.03428	3.3
57.07057	4.3
59.04987	4.4
66.88058	1.2
67.05233	1.2
67.05511	14.7
69.03428	7.7
69.07066	10.3
70.52203	2.3
71.04984	5.1
79.05485	11.8
81.07062	23.7
83.04983	73.1
83.08624	13.2
85.06530	5.5
88.12177	1.3
91.05471	11.3
92.75963	1.2
93.07048	21.5
95.04970	34.0
95.08060	1.5
95.08606	19.9
97.06532	17.4
97.10169	4.5
99.04449	6.0
99.08088	4.9
102.31830	1.2
105.07038	14.5
107.04984	2.2
107.08600	30.4
109.06521	100.0
109.10155	32.1
111.08097	11.0
113.09638	4.5
117.06998	2.5
119.08584	5.5
120.46957	1.5
121.06495	5.0
121.10135	26.8
123.08078	12.0
123.11714	7.0
125.09634	29.7
131.04916	1.5
131.08571	11.0
133.10136	31.2
135.08047	22.0
135.11646	2.3
139.07558	2.1
139.11157	2.3
145.10095	4.2
147.11673	4.3
149.05983	3.4
149.09618	26.1
149.13260	15.8
151.11195	25.6
153.09103	30.2
158.10847	2.2
163.14804	7.9
165.12743	2.2
167.07104	2.3
167.14323	20.5
173.13271	17.1
188.10341	1.4
191.07059	1.5
191.14293	25.9
209.07985	1.5
209.09753	3.5
209.15375	55.2
220.94376	1.4
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
53.03941	5.4
54.62592	1.3
55.01875	7.8
55.05512	21.5
56.96568	100.0
57.03426	4.1
57.07062	2.6
64.18968	1.5
65.03940	2.2
67.05508	57.5
67.05872	2.7
69.03436	7.7
69.07070	13.8
70.97449	2.7
70.98122	2.0
71.05006	8.9
73.25200	1.2
73.42172	1.4
74.97615	3.4
79.05495	52.2
81.03421	11.4
81.06580	3.2
81.07059	62.5
83.01333	2.8
83.04983	26.6
83.08634	8.4
84.96042	21.0
85.02914	3.0
85.06544	5.2
87.04461	7.2
91.05483	60.4
93.07049	33.7
95.04972	75.4
95.08053	2.3
95.08604	27.2
95.09172	2.4
95.99051	1.3
97.02866	3.0
97.06539	14.0
97.10163	4.1
97.99183	40.3
99.04443	3.8
99.08086	2.4
101.02368	2.6
102.97072	1.5
103.05559	1.2
105.07034	44.5
107.04943	11.6
107.08595	29.3
109.02880	1.7
109.06521	20.2
109.10161	11.0
111.04461	9.2
111.05093	1.5
111.08082	3.9
113.06009	5.4
115.05499	1.3
116.00229	21.1
117.07005	7.5
119.04962	1.4
119.08585	25.8
119.09364	2.8
121.02864	1.4
121.06486	3.4
121.10147	11.7
123.04419	3.2
123.08052	6.8
123.11702	7.6
125.09631	5.8
125.98609	2.2
128.06212	1.5
129.06996	16.0
131.08565	12.6
132.96455	2.4
133.06497	7.0
133.09119	1.8
133.10132	35.5
134.01273	2.1
135.08057	24.0
135.11702	5.8
137.05978	5.5
137.09598	5.2
139.01787	4.0
141.05482	1.7
142.07762	3.1
143.99660	3.0
145.10109	2.3
146.78671	1.4
147.08078	2.8
147.11696	26.7
147.12830	2.8
149.09608	12.2
150.51077	1.3
151.03864	1.9
151.07545	3.1
151.11182	23.1
153.05502	1.6
155.98042	2.0
157.10126	12.1
164.97127	3.0
165.01762	1.6
165.12773	18.2
167.07028	4.4
169.10149	2.2
175.11182	20.5
175.14783	2.4
177.05502	2.0
179.03525	3.9
180.52913	3.1
183.06598	2.8
187.98676	2.4
188.04091	8.2
189.53441	2.0
193.04988	2.2
193.08617	2.2
193.12257	27.2
197.04581	3.5
199.54950	3.7
205.01668	1.4
205.98732	1.9
211.06004	4.1
211.07787	2.3
211.13179	15.6
211.14883	2.4
211.16895	3.4
229.07550	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	2.6
55.01875	5.2
55.05513	13.3
57.07078	5.7
59.04982	1.5
61.65139	1.2
65.03931	3.7
67.05511	7.2
67.61015	0.9
69.03400	2.6
69.07071	6.4
69.50842	7.5
71.05003	7.8
77.03942	1.1
77.58025	1.0
78.04704	1.6
79.05492	9.9
80.26211	1.0
81.03363	1.2
81.07056	11.4
83.04981	14.7
83.08613	9.1
85.02910	1.4
85.06536	3.0
89.03902	1.2
91.05486	14.1
93.03411	3.5
93.07042	13.4
95.04971	77.3
95.08607	14.1
97.06516	6.6
97.10183	2.4
99.04456	17.2
103.05441	4.3
105.04407	1.0
105.07027	7.0
106.04181	9.2
107.04928	2.8
107.08596	13.2
109.06519	100.0
109.10167	21.0
109.10884	0.8
111.04470	1.1
111.08070	4.6
115.05500	1.0
117.07005	2.4
119.04935	1.4
119.08571	3.7
121.06516	15.5
121.10143	8.6
123.04425	1.6
123.08070	9.9
123.11706	6.1
125.05959	3.6
125.09621	3.0
131.04947	1.4
131.08574	8.5
133.10143	10.3
134.03600	1.7
135.08060	30.4
135.11664	5.9
136.44173	1.1
137.05962	2.1
139.07516	1.2
145.10121	4.7
147.04448	1.3
147.08052	1.5
147.11662	3.4
148.05206	1.6
149.05997	13.8
149.09607	4.8
149.13249	4.0
150.10416	1.6
151.07501	1.6
151.11182	8.7
153.09109	24.5
158.10924	1.7
161.09695	1.2
163.07533	2.3
163.11139	5.2
163.14830	3.7
165.12810	5.7
166.06322	1.1
167.14326	11.7
173.13283	10.3
176.11911	1.1
177.05493	8.4
178.09895	1.2
181.08559	4.1
191.07034	2.5
191.10696	1.5
191.14304	29.0
198.17361	1.1
209.04384	1.8
209.06328	1.5
209.08015	5.6
209.11687	4.6
209.15329	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.88137	0.8
51.17413	0.8
53.03944	3.2
55.01868	7.6
55.05266	1.1
55.05512	12.0
56.96568	2.2
57.03443	1.4
57.07071	4.0
59.04986	1.2
65.03934	3.2
67.05500	8.7
68.99802	0.9
69.03412	3.2
69.07059	6.7
71.04983	5.3
71.56580	0.9
75.04475	2.7
78.04719	1.5
79.05490	10.3
81.03416	2.1
81.07067	13.2
81.42604	1.0
83.04991	11.0
83.08609	8.0
85.02894	2.3
85.06520	1.9
91.05477	18.7
93.03419	6.8
93.07047	16.1
95.04974	23.0
95.08605	14.1
97.02926	1.0
97.06519	5.3
97.10184	1.5
99.04450	2.6
99.08114	1.3
100.53230	0.9
103.05479	6.9
104.07000	0.8
105.04529	1.0
105.07022	8.5
106.04182	21.1
107.04956	2.8
107.08598	13.6
109.06522	100.0
109.10160	13.5
110.87783	1.0
111.04471	1.9
111.08103	3.9
113.09604	1.0
115.05497	0.9
117.03390	1.8
117.07014	2.7
119.04926	2.7
119.08566	3.9
121.06510	22.3
121.10156	10.1
123.08054	12.0
123.11666	2.1
125.05972	6.6
125.09644	3.0
125.57174	0.8
125.73026	0.9
129.35922	0.9
130.07840	0.9
131.04964	2.4
131.08549	7.0
133.06480	1.2
133.10118	6.7
134.03648	3.4
135.04407	1.6
135.08060	29.6
135.11676	7.3
137.05989	5.4
137.09596	1.1
139.07533	3.6
145.02821	1.9
145.10124	5.5
147.01010	2.5
147.04419	2.4
147.08028	1.3
147.11623	5.0
148.05209	3.3
149.05988	26.4
149.09605	6.0
149.13312	4.5
151.03946	1.1
151.07567	1.1
151.11183	5.7
153.05490	1.5
153.09114	12.3
156.01515	3.1
158.10936	1.2
163.07558	2.4
163.11145	4.8
163.14781	2.4
165.02043	34.6
165.05495	1.1
165.12755	18.3
165.52237	4.3
166.06342	1.3
167.07043	1.3
167.14316	11.1
173.13289	7.9
174.02576	42.0
174.52754	7.0
176.04649	1.1
176.52887	4.6
177.05511	13.3
181.08630	5.0
181.10002	1.0
185.53386	3.8
191.07130	5.1
191.10725	2.4
191.14311	24.9
194.05743	1.1
209.04466	1.0
209.06322	1.7
209.08134	8.4
209.09801	1.6
209.11661	3.0
209.15375	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	2.7
55.01859	4.8
55.05513	36.5
57.03429	2.6
57.07055	5.9
59.04999	3.0
63.18554	1.5
65.03929	2.1
67.05501	13.0
69.03427	3.7
69.07064	9.9
70.90770	3.7
71.04983	6.5
79.05483	10.3
81.07057	34.5
83.04982	65.2
83.08626	17.8
85.06525	4.3
91.05470	12.5
93.03365	2.4
93.07037	20.9
95.04973	54.7
95.08609	19.2
97.06539	15.8
97.10184	2.6
99.04465	8.4
99.08081	3.2
103.05474	3.3
105.04456	1.8
105.07041	15.6
106.04158	6.0
107.08592	23.2
109.06519	100.0
109.10162	25.8
111.04351	1.5
111.08076	8.3
113.09653	2.5
117.06989	2.7
119.08546	6.1
121.06483	7.9
121.09445	1.6
121.10152	17.1
123.08057	13.8
123.11696	7.7
125.09653	8.2
131.08556	11.5
133.10127	38.1
135.08046	17.8
135.11652	4.6
139.07526	4.5
145.10103	5.9
147.11655	3.6
149.06001	9.3
149.09627	7.6
149.13254	9.2
151.05510	1.7
151.11206	15.9
152.06216	2.8
153.06937	4.7
153.09103	31.1
158.10898	4.0
163.07521	4.1
163.11034	1.9
163.14795	4.2
165.06967	6.7
165.12611	1.7
166.07777	13.2
167.14297	20.7
171.80032	1.9
173.13268	18.1
177.05432	5.5
177.06895	2.2
179.08394	2.6
180.08179	3.3
181.06447	5.9
181.08524	5.9
181.10120	4.2
191.06987	9.8
191.08559	3.5
191.14285	25.8
193.08482	7.2
194.07239	8.8
194.09167	18.6
207.09854	3.8
208.07518	4.9
208.10889	4.0
209.05943	16.3
209.08109	8.7
209.09573	36.4
209.11533	88.0
209.15335	57.5
210.10234	2.5
215.92882	1.6
225.04817	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	4.0
55.01867	5.1
55.05514	38.0
55.22539	1.1
57.03431	3.1
57.07056	5.3
59.04983	3.9
65.03955	1.6
67.05506	13.6
69.03419	3.4
69.07080	11.1
71.05003	5.5
71.57282	1.2
79.05494	11.4
81.03399	1.2
81.07061	33.2
83.04985	93.7
83.08620	16.6
85.06523	2.9
86.13067	1.2
91.05470	10.9
93.03400	1.6
93.07051	17.6
95.04973	57.1
95.08609	24.9
97.06537	24.7
97.10162	4.1
99.04451	10.4
103.05486	2.0
105.07043	11.6
106.04165	3.9
107.08593	24.0
109.06521	100.0
109.10161	29.0
111.04468	2.7
111.08093	9.1
113.05974	2.0
113.09632	3.5
115.07629	1.5
115.13976	1.3
115.68438	1.2
117.07045	1.6
119.08566	4.6
121.06524	5.3
121.10149	22.3
123.08080	11.1
123.11732	5.4
125.06001	2.1
125.09618	10.1
125.13261	2.0
129.06926	1.3
131.08577	8.7
133.10133	28.8
135.08064	18.1
135.11678	4.2
139.07576	6.4
139.11137	1.5
143.08531	1.7
145.10097	2.4
147.11664	4.3
147.87224	1.0
148.29292	1.1
149.05969	4.9
149.09576	6.0
149.13264	12.8
151.11182	17.5
152.06145	2.2
153.06963	4.8
153.09111	40.3
158.10953	2.9
163.11246	1.4
163.14810	4.3
165.07016	5.4
166.07796	9.6
167.04913	1.5
167.14328	21.9
168.07687	1.4
172.92065	1.2
173.13260	16.1
177.05577	2.8
177.06987	2.9
178.07750	1.9
179.08641	1.3
180.07990	1.4
181.06480	4.6
181.10127	2.8
188.63046	1.0
191.08551	2.4
191.14307	23.3
192.07872	1.4
193.08517	3.9
194.07257	14.4
194.09218	9.5
207.09940	2.4
208.07562	4.3
208.10875	2.6
209.05936	11.4
209.08109	7.6
209.09601	29.7
209.11565	47.3
209.15358	73.6
224.33221	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.38826	0.5
53.03946	1.5
55.01875	4.7
55.05514	4.7
56.96556	1.2
57.03419	1.0
57.07080	5.0
59.04992	1.0
65.03938	2.8
67.05506	4.7
67.22644	0.5
68.99798	0.6
69.03419	1.7
69.07069	3.4
70.90609	1.0
71.04996	3.7
75.04482	1.6
77.03912	0.5
78.04707	1.9
79.05495	6.0
80.02193	0.5
81.03407	0.8
81.07056	7.1
83.04996	4.9
83.08624	3.6
85.02906	3.9
85.06544	1.6
89.03916	1.1
89.06049	0.6
91.05495	11.7
93.03408	4.5
93.07052	8.2
95.04974	9.3
95.08613	6.4
97.06539	2.8
99.04479	1.2
99.08060	0.6
103.05470	4.8
105.04552	0.5
105.07030	5.6
106.04181	13.2
107.04949	1.9
107.08604	9.4
109.06524	100.0
109.10161	13.6
110.03697	0.5
111.04460	1.4
111.08083	2.1
111.70435	0.5
117.03413	0.9
117.07027	1.3
119.04914	1.3
119.08602	2.4
121.06506	15.1
121.10161	5.2
123.04467	0.7
123.08083	9.8
123.11699	1.1
124.05293	0.5
125.05983	3.3
125.09633	1.7
131.04939	2.0
131.08585	6.7
133.06512	1.0
133.10158	4.4
134.03647	1.6
135.04439	1.2
135.08061	26.5
135.11717	1.6
137.05980	2.6
139.07533	1.0
139.11179	0.9
143.08560	0.9
145.02908	1.2
145.10176	3.0
147.04379	0.9
147.07999	0.6
147.11691	1.7
148.05225	1.7
149.04787	0.8
149.05989	17.0
149.09621	3.4
149.13263	2.5
150.10426	1.3
151.07556	1.2
151.11188	4.6
153.05487	1.4
153.09122	8.0
158.10944	1.1
163.07545	2.2
163.11171	1.8
163.14833	1.1
165.12798	1.0
166.06290	0.9
167.14291	4.2
173.13264	8.5
177.05484	8.3
181.08670	4.9
182.25945	0.5
191.07033	3.3
191.14319	26.8
200.09756	0.5
209.04471	0.9
209.06250	0.8
209.08041	6.1
209.09868	1.0
209.11545	1.0
209.13446	0.6
209.15353	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	209.1173
Annotation	Morinin G
Peak:m/z	Relative Intensity
55.01855	1.5
55.05510	1.1
57.07060	2.5
63.21697	0.7
65.95452	0.8
67.05506	1.1
69.07056	0.9
70.05405	1.7
70.05803	1.6
71.04989	1.0
73.47873	0.8
77.03921	0.8
79.05486	2.3
81.07042	1.1
81.17902	0.8
83.05000	0.8
91.05489	8.2
93.07040	1.7
95.04943	1.3
95.08587	1.3
97.06515	0.9
103.05444	3.2
105.07015	4.5
107.04963	7.1
107.08606	2.0
109.06494	2.6
109.10141	1.8
115.05441	1.9
116.06245	1.8
117.06999	3.4
119.04940	9.4
119.08590	1.0
119.47994	0.9
121.06506	11.3
123.04439	1.7
123.08038	3.0
125.05988	1.3
128.73918	0.8
130.04118	0.8
131.04919	7.3
132.05737	1.1
133.02834	2.7
133.06508	4.6
133.10100	2.0
134.07266	3.3
135.04465	1.0
135.08051	8.9
136.05209	2.9
137.05981	2.3
139.07562	1.0
145.06490	2.4
146.07248	3.1
146.47078	0.8
147.04437	9.0
147.08055	6.0
149.05980	4.2
149.09624	4.6
151.07542	16.1
151.11113	1.3
152.08330	0.8
153.05479	2.3
159.08012	1.0
161.05992	2.8
162.06764	10.6
163.07549	13.9
163.11209	0.9
165.05479	4.1
166.06252	5.5
167.06992	0.8
168.07822	3.6
173.13246	1.1
175.88248	0.8
177.09105	12.0
178.09903	33.0
179.07042	19.4
179.10667	2.5
181.08603	15.7
192.20636	0.9
193.08556	0.8
194.09384	100.0
209.06129	1.2
209.11728	40.9
209.15338	2.9
213.40353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03927	10.4
55.01880	20.8
55.05273	3.7
55.05514	60.3
56.96537	2.4
57.03427	8.2
57.07059	6.9
58.07253	2.2
59.04992	3.7
60.80599	2.4
62.42273	2.2
65.03935	12.8
67.05505	23.0
69.03414	7.3
69.06717	3.1
69.07072	35.3
69.42217	17.8
71.04993	24.0
71.24775	2.1
72.65090	2.6
75.04462	7.1
78.04713	11.4
79.05139	2.1
79.05501	21.7
81.03410	4.7
81.07072	30.1
83.04982	61.7
83.08617	36.7
85.02884	8.0
85.06531	9.2
89.03912	3.4
91.05478	45.2
93.03405	17.9
93.07051	50.8
95.04974	74.6
95.08615	46.0
97.06528	25.8
97.10135	7.7
97.10725	2.6
99.04439	9.2
99.08070	7.3
99.80903	2.2
103.05487	17.3
105.03387	2.5
105.04511	4.5
105.07035	23.3
106.04186	57.2
107.04931	5.3
107.08602	65.9
108.05730	2.7
109.06522	55.0
109.09462	3.7
109.10155	43.3
111.04481	3.1
111.08075	22.9
113.09655	4.5
117.03349	5.0
117.06995	4.1
119.04925	7.2
119.08578	11.7
120.05702	3.7
121.06516	60.3
121.10158	48.5
123.04451	3.5
123.08059	16.9
123.11717	33.8
124.05141	2.5
125.06023	17.7
125.09635	14.7
129.06952	2.5
131.04884	7.3
131.08569	13.5
133.10144	50.0
133.11110	5.3
134.03600	8.0
135.04491	2.7
135.07120	4.1
135.08063	54.2
135.11688	27.0
137.05991	13.9
137.09598	5.4
138.10364	4.0
139.07559	12.0
139.11165	9.0
145.02814	7.0
145.10121	10.3
147.04384	2.8
147.11696	17.6
148.05168	9.1
149.05989	81.7
149.09612	30.7
149.13254	23.0
151.07524	4.9
151.11194	44.4
153.05458	4.4
153.09128	25.8
158.10912	5.3
159.04459	3.2
163.07561	4.4
163.11157	10.0
163.14825	23.0
165.05557	3.3
165.12762	75.5
165.14130	5.2
166.06317	3.9
167.14330	64.3
173.13289	35.8
177.05492	39.4
181.08604	17.5
191.06981	15.2
191.10559	3.3
191.14311	80.1
191.30446	2.3
209.04405	3.0
209.08180	23.0
209.09900	4.8
209.11604	5.6
209.13545	4.3
209.15353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83806	0.4
51.02382	0.4
55.01851	1.2
55.05478	0.7
56.96536	1.7
57.03408	1.0
57.07053	0.5
65.03940	3.3
67.05482	1.2
69.55715	3.1
71.04986	0.4
78.54971	0.4
79.05469	1.1
81.07034	0.9
82.04170	0.7
83.04946	0.9
91.05483	4.9
93.02898	0.6
93.03412	8.0
93.07002	1.3
95.04954	1.3
95.08620	0.9
97.02879	0.5
97.06509	1.0
102.04652	1.0
103.05473	4.1
105.03378	1.0
105.07053	3.2
107.04943	1.0
107.08585	1.7
109.06486	1.5
110.03668	4.3
111.04437	4.6
113.06870	0.5
115.05457	1.4
116.06248	3.6
117.07024	1.1
117.95979	0.5
119.04958	11.2
121.06485	2.3
121.10083	0.7
123.04349	0.6
123.08088	1.1
125.05164	0.8
125.05990	8.9
130.04166	0.7
131.04027	0.7
131.04936	7.9
131.08557	0.7
132.05693	0.8
133.01950	0.4
133.02837	2.7
133.06485	5.4
134.07268	2.4
135.04446	0.6
135.08040	1.5
136.05203	0.6
137.05943	0.8
139.07451	0.7
144.05699	1.2
145.00923	0.7
146.07254	0.8
147.04413	6.9
147.08003	1.1
149.05983	1.3
149.09552	0.5
151.07553	8.0
152.04674	1.3
152.06206	3.2
153.05472	54.5
153.06876	3.5
161.05994	2.1
162.06761	1.5
163.07541	8.6
165.05463	2.1
166.06265	0.8
166.08260	1.0
167.07082	1.1
168.07820	100.0
169.08316	0.6
177.05460	1.5
177.09091	1.8
178.09872	2.0
179.07057	10.8
179.08484	0.6
181.08583	2.5
191.06982	1.0
191.14302	0.6
193.08640	1.1
194.09386	68.6
209.04045	0.9
209.06010	17.6
209.07828	0.9
209.09738	1.0
209.11714	16.8
209.13660	1.0
209.15331	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	208.9728
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33582	2.7
70.93895	7.5
79.54881	2.9
94.93008	4.9
96.92863	2.5
146.21483	3.5
150.95590	7.7
190.96252	6.3
191.94597	19.6
200.02451	2.4
208.97272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0923
Annotation	L-Kynurenine
Peak:m/z	Relative Intensity
51.23020	0.9
53.03934	2.8
55.01873	5.1
55.05515	4.5
56.05031	1.3
56.96572	7.2
57.03438	2.1
59.05000	1.0
65.03935	3.9
67.05500	2.2
67.92506	4.0
69.03428	3.2
69.07066	2.0
69.61779	5.4
70.06595	22.6
70.97305	0.8
70.98634	0.8
71.01340	1.4
71.04982	1.2
72.08143	1.7
74.02446	20.5
79.05503	4.7
81.03438	2.0
81.07047	3.0
82.94845	15.4
83.04983	3.9
83.08608	2.0
84.04507	5.1
84.08153	4.0
85.02900	1.3
85.04835	0.9
85.93545	0.9
86.09690	2.4
86.18431	0.8
86.67816	0.8
87.04481	1.6
88.03977	2.4
91.05473	9.8
93.03394	1.2
93.07047	5.8
94.06572	100.0
95.04950	5.3
95.08585	2.5
97.02885	2.7
97.06543	1.8
98.97570	3.7
99.00835	11.5
99.04408	1.6
100.95852	1.3
103.03999	0.9
103.05448	4.0
104.05001	8.5
105.04542	0.9
105.07025	2.6
107.04961	2.7
107.08582	3.5
109.06546	7.5
109.10126	2.3
111.04430	1.6
111.08067	1.7
112.03989	5.1
116.98582	1.3
117.03369	1.1
117.05771	1.1
117.07088	1.1
118.06552	32.2
119.04983	1.2
119.08536	0.9
120.03622	1.6
120.04475	33.8
120.08074	0.9
121.02918	4.4
121.06510	20.4
121.10139	3.4
122.06049	1.5
123.08105	1.8
123.97461	14.8
125.05975	1.4
125.09641	2.2
126.05555	1.0
126.93758	5.9
131.00203	1.1
131.04887	2.8
131.08582	2.2
131.52319	1.1
132.04442	13.8
133.10107	2.5
135.08060	3.5
135.11700	1.8
136.07579	40.5
137.05995	1.8
138.61501	0.8
139.11116	0.9
144.06570	1.4
144.94804	8.9
144.98181	1.2
145.10152	1.5
146.06012	76.5
146.99605	1.3
147.03284	1.3
147.04427	1.0
149.06013	5.0
149.09604	2.0
149.13263	1.9
150.04297	1.7
150.05505	28.7
151.11189	2.4
153.05411	1.0
153.09116	1.5
155.04622	2.1
158.99715	1.1
161.05978	1.4
162.95888	11.0
163.03915	1.0
163.07515	1.9
163.08665	7.8
163.11147	1.6
163.14903	1.0
164.07082	7.2
167.08214	1.2
167.14331	2.4
167.96411	20.4
173.13289	2.0
174.05519	29.4
177.04102	1.1
177.05530	4.6
181.06525	2.1
181.09746	3.4
185.97487	22.3
191.07022	3.5
191.08760	1.1
191.10579	1.1
191.14323	3.4
192.05019	1.7
192.06554	50.0
198.04727	1.8
208.99387	1.4
209.04364	1.5
209.05978	1.9
209.09348	23.9
209.13164	2.5
209.15378	7.7
210.09293	1.3
210.11183	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1333
Annotation	146277-47-6
Peak:m/z	Relative Intensity
52.55037	0.9
53.03938	1.1
55.05501	3.2
56.05037	5.9
56.96566	0.7
62.76184	0.7
65.03956	2.0
66.62296	0.7
67.05497	2.0
69.07055	0.9
69.59492	1.4
69.59904	3.4
75.43291	0.7
76.19199	0.7
79.05498	12.7
80.05007	3.0
81.07066	2.0
82.06591	1.3
91.05487	11.8
92.05008	10.5
92.05578	1.0
92.05825	1.2
93.07049	55.8
94.06577	4.7
95.04958	1.6
95.08591	1.2
98.20656	0.8
103.05476	7.7
105.04506	0.9
105.05769	1.3
105.06473	0.9
105.07048	8.2
106.06567	12.7
107.04961	1.1
107.08593	3.5
108.08125	2.4
109.10160	0.8
110.06072	1.0
117.07031	3.7
118.06546	4.6
119.07311	3.0
119.08579	5.3
120.08115	74.9
121.06535	0.9
121.08881	6.8
121.10143	2.6
122.09657	6.9
129.18468	0.9
130.07785	0.9
132.08086	2.6
133.07976	0.9
133.08861	5.7
133.10014	1.6
134.09663	24.9
135.10606	1.6
135.11707	8.9
136.11226	70.7
145.10077	2.9
147.10452	2.0
147.11653	0.9
148.04773	1.5
148.07570	5.7
160.11160	0.8
162.09134	8.9
162.12790	37.5
163.13605	5.1
164.14363	83.5
166.08685	2.2
176.04385	1.3
179.08151	1.1
180.07831	0.9
180.09024	1.4
180.13815	2.7
190.12273	7.6
192.08116	2.2
193.04575	1.3
193.08882	6.3
206.09746	1.5
207.10147	1.0
208.11241	28.2
208.13341	100.0
209.13713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02362	1.0
53.03959	7.1
54.07678	0.8
55.01863	1.4
55.05514	10.2
56.96571	10.9
57.03421	1.6
57.07055	1.1
59.04977	1.2
65.03915	1.5
67.05509	30.4
69.03427	6.0
69.07073	6.1
70.60759	1.5
70.61134	1.5
71.04984	3.7
77.03919	1.4
79.05500	53.0
81.03404	2.7
81.07064	22.2
83.04988	6.2
83.08624	3.7
85.02880	2.7
85.06547	1.2
87.04448	1.8
91.05489	48.6
93.07049	100.0
95.04977	12.2
95.08620	11.8
97.06515	2.2
97.10167	2.1
98.21420	1.0
99.04448	1.2
103.05445	1.5
104.35643	0.9
105.04510	2.8
105.07038	24.7
107.04957	1.7
107.08604	13.7
109.06530	5.5
109.10149	2.6
111.04427	1.6
115.05382	1.0
115.96423	3.1
117.07040	5.0
119.04924	3.2
119.08593	15.2
119.97365	1.8
121.06499	3.2
121.10143	3.3
123.08065	6.4
127.07584	1.0
128.06213	1.8
128.97826	1.3
129.05479	2.7
129.07018	11.2
130.07790	0.9
131.08572	2.8
133.06519	2.0
133.10133	6.9
133.97549	1.1
135.08076	1.0
135.11752	1.7
137.05920	1.3
137.09573	0.9
137.98328	1.0
141.09109	1.0
143.00177	2.3
143.08556	5.3
145.10133	9.5
147.04408	4.0
147.08038	3.2
147.11694	50.9
149.02373	1.5
149.09593	2.2
149.49223	1.1
151.07530	2.6
161.01204	1.5
161.03008	2.3
161.05972	1.2
161.09633	4.8
161.13225	8.3
162.09111	1.1
163.03836	2.3
164.04669	1.9
165.09174	1.7
165.57661	1.7
171.11703	22.7
174.58221	2.3
175.02690	2.2
175.04106	1.3
177.05513	1.2
179.07062	1.3
179.16260	2.0
183.58728	3.2
184.04543	2.2
186.69208	0.9
189.05540	1.5
189.09129	1.1
189.12781	14.6
189.16374	1.8
207.06490	9.1
207.08229	1.3
207.13814	34.5
207.15758	2.2
207.17368	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	5,7-Dimethoxychromone
Peak:m/z	Relative Intensity
51.02367	1.4
53.03938	1.3
55.01861	2.5
55.05487	0.9
65.03938	6.2
67.05495	1.7
69.03403	2.2
69.07059	0.8
70.02943	1.3
71.05002	0.8
71.57112	0.6
76.03196	0.7
77.03923	2.9
79.05502	3.3
80.06254	0.7
80.94944	0.7
81.07047	2.0
81.93419	0.7
83.04989	1.3
85.02911	2.3
88.03982	4.4
89.03890	4.5
89.04383	1.1
90.04698	1.1
91.05484	89.9
92.05804	1.3
93.03403	1.1
93.07059	2.0
95.04993	1.5
95.08597	1.9
100.94597	0.7
103.05450	2.2
104.02613	1.2
105.03378	2.8
105.04463	0.9
105.07026	3.9
106.25905	0.7
107.04951	3.2
107.08593	2.4
108.05705	1.5
109.06513	1.4
109.10175	1.2
111.04422	1.0
115.05475	0.7
117.03378	1.4
118.04160	5.8
119.04948	86.4
119.08578	3.1
121.02880	1.1
121.06504	1.6
121.10172	1.8
123.04451	0.9
123.08077	1.6
123.11718	1.0
123.72297	0.7
124.05244	1.0
129.03358	2.1
129.04549	1.2
129.05470	1.1
131.04944	2.4
132.02078	7.9
132.05685	1.1
133.02890	1.4
133.06487	6.1
133.10133	2.1
135.04393	3.6
136.05214	4.1
137.05956	1.3
137.09584	1.2
145.02814	2.2
145.06470	1.1
145.10146	0.9
146.03615	7.0
146.07228	0.9
147.04416	73.7
147.06329	2.5
147.08076	2.3
147.11676	3.1
149.02325	10.5
149.05981	1.6
149.09610	3.0
150.03049	0.7
151.07527	5.1
156.09232	1.0
157.03989	7.2
161.06000	13.3
161.09660	0.9
161.13242	1.0
162.03123	1.7
163.03891	2.4
163.07532	1.3
163.11142	0.8
164.04713	7.1
165.06998	1.0
165.12738	2.1
171.11726	0.8
174.03145	4.3
174.10365	0.8
175.03917	100.0
175.07426	2.0
176.04358	1.0
176.08328	39.8
176.86612	0.8
177.01843	0.9
177.05490	2.5
177.06970	1.4
177.09074	2.3
178.06627	1.2
178.07779	41.0
179.07066	8.1
179.08543	61.5
180.08975	1.5
189.06992	3.0
189.12769	3.2
192.04195	13.5
192.05943	1.1
192.07808	5.5
202.03880	0.8
205.08395	1.2
206.07297	1.2
206.09546	3.8
207.06505	54.4
207.08109	60.4
207.10164	34.5
207.12059	1.7
207.13614	7.3
208.11157	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	206.1176
Annotation	Bellendine
Peak:m/z	Relative Intensity
55.01866	0.4
55.05502	0.3
56.05021	0.4
56.63911	0.1
56.96556	0.5
57.03439	0.8
58.02969	0.1
58.06588	0.6
60.04519	0.6
61.02930	1.8
63.63902	0.1
68.05039	0.2
69.03414	0.5
69.05816	0.2
70.02948	0.1
70.06581	0.6
70.37832	0.5
71.04984	0.6
72.04507	0.4
73.02919	0.8
74.06068	0.1
76.26351	0.1
80.05002	0.4
80.94910	0.1
81.03403	0.2
82.06567	0.4
83.04992	0.2
83.06931	0.2
84.04504	0.3
84.08146	8.0
85.02919	0.9
86.02424	0.2
87.04456	0.4
90.05539	0.5
91.05485	0.5
96.08143	0.2
97.02869	0.4
98.06058	0.2
98.20862	0.2
98.97575	0.5
99.04411	0.2
101.00878	0.7
101.02393	0.2
102.00979	0.2
102.05556	0.2
103.00594	0.2
103.05477	0.2
105.07029	0.4
107.04939	0.2
110.06046	0.4
112.01067	0.1
113.00888	0.1
114.05515	0.2
115.02411	0.2
115.05455	0.5
115.62579	0.1
117.02026	0.1
117.06996	0.3
118.04975	0.2
119.01926	1.2
119.04981	0.2
120.01955	0.1
121.01624	0.2
121.06560	0.3
122.06002	0.4
123.04423	0.5
124.02415	0.2
124.07591	0.3
127.03971	0.2
128.02350	0.4
128.03394	0.2
128.06212	1.5
128.07082	0.5
129.07430	0.2
130.04115	0.2
130.06511	0.2
131.01880	0.3
131.04938	0.4
131.07327	0.3
131.08563	1.2
133.03432	0.5
133.06488	0.4
134.03593	0.4
134.06029	0.2
137.01796	0.1
137.02870	0.1
137.05928	0.6
140.07068	0.2
141.01218	0.2
141.06979	0.2
142.03496	1.3
142.08641	0.1
142.10580	0.2
143.01900	0.3
143.04938	0.4
143.08560	3.2
145.03473	0.3
145.06541	0.3
146.02196	0.2
146.04509	0.2
146.05959	0.1
146.08089	0.6
147.03105	0.1
147.04448	0.4
148.05215	1.2
148.07559	0.4
149.04778	0.2
149.05945	0.5
149.08286	0.2
150.53215	0.1
152.07060	0.4
154.02969	0.2
158.99602	0.1
159.06775	0.5
159.08054	1.9
160.04112	0.2
160.05203	2.3
160.07425	0.6
160.09789	0.2
160.11212	1.7
161.02986	0.5
161.05980	3.2
161.09619	0.2
162.05496	3.5
163.06267	0.5
163.07498	0.3
164.07077	5.7
165.96562	0.1
170.08131	1.0
171.01440	0.2
171.08080	3.1
173.02921	0.2
173.08377	0.3
174.03981	0.3
174.06754	0.7
175.02600	0.2
175.53491	0.2
176.07069	2.5
177.07851	40.1
177.09042	1.4
178.04993	3.8
178.08405	0.8
178.12285	0.3
184.04533	0.2
187.01003	0.1
188.09160	1.2
188.10745	3.2
189.09117	1.7
189.10846	0.2
189.11400	0.1
190.08650	0.3
191.04062	0.3
201.02425	0.4
204.10262	0.7
206.04463	2.0
206.11769	100.0
207.12151	0.9
223.04761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0449
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
56.96576	1.2
58.06625	0.2
60.04539	0.2
69.03438	0.5
69.07096	0.2
70.06606	0.4
70.07968	0.7
72.08154	0.2
84.08145	1.7
85.02910	0.2
91.05502	0.2
96.03684	0.2
97.02895	0.3
98.09694	0.2
98.21418	0.3
98.97600	0.5
104.05001	0.3
105.03367	1.0
105.07086	0.2
107.05021	0.2
121.68516	0.2
122.85597	0.2
123.04457	0.4
126.09161	0.3
128.06238	0.3
131.08636	0.3
132.04466	2.2
133.02870	0.2
133.06433	0.2
137.05942	0.3
143.03708	0.3
143.08543	0.5
144.10197	1.5
146.99628	0.3
150.05504	0.9
151.03880	0.6
159.07993	0.2
160.03944	1.5
160.05136	0.5
161.05959	0.5
162.05515	0.8
164.07050	0.9
171.08067	0.7
172.73541	0.2
176.07098	0.5
177.07857	6.9
177.09331	0.4
178.04999	100.0
179.05370	0.7
182.99718	0.3
188.07152	0.2
188.10681	0.4
189.09155	0.4
194.03322	0.4
201.00684	0.4
203.03911	0.3
206.04488	47.3
206.11765	18.1
227.99396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
55.05502	0.6
56.96557	0.8
57.03422	0.3
60.04494	0.2
64.60839	0.2
65.03938	0.3
67.05503	0.4
68.99784	0.4
69.03434	0.4
69.07076	0.5
69.33014	0.2
69.49962	0.5
69.50375	1.0
70.02945	1.0
77.03939	0.3
79.05479	0.7
81.03436	0.5
81.07056	0.4
84.08149	0.6
85.02911	0.5
86.03196	0.3
86.09707	0.3
87.00829	2.6
91.05491	5.0
93.07051	2.9
95.04993	0.5
95.08616	0.3
97.06543	0.4
98.97586	1.4
101.00880	0.7
103.05470	12.2
105.04559	0.3
105.07048	1.7
107.08565	0.4
115.05395	0.3
116.05309	0.3
116.98640	0.4
117.06966	0.4
118.06547	16.7
119.01901	1.2
119.04958	1.7
119.06895	0.3
119.08569	0.9
120.08108	100.0
121.02841	0.3
121.06538	0.8
121.08405	0.6
121.10126	0.4
123.08050	0.4
128.04988	1.4
130.06525	0.3
131.01875	0.3
131.08566	0.5
133.10130	0.8
135.11723	0.3
137.05971	0.7
142.03503	0.7
143.01881	0.8
143.08589	0.2
145.03476	0.5
145.06532	0.3
145.10068	0.3
146.06010	13.6
147.04401	1.3
147.11664	1.8
148.05112	0.2
149.02324	0.4
150.02690	0.8
150.58322	0.4
154.04997	0.3
157.03854	0.2
158.99652	0.4
160.07599	0.4
161.02991	0.9
161.05988	0.6
162.09146	0.8
164.07082	0.4
173.02989	0.3
173.13283	0.4
175.03917	1.8
177.07840	0.8
178.05034	0.3
179.08612	0.3
182.99655	0.2
185.02940	0.2
188.07066	12.0
190.08644	1.2
191.07353	0.3
191.09422	0.5
191.14339	0.8
201.00706	0.3
206.05177	0.7
206.08136	8.6
206.09782	1.6
206.11813	8.1
206.15407	2.0
207.06429	0.6
207.08186	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03946	3.5
55.01878	1.8
55.05512	16.0
56.96556	5.4
57.03432	1.8
57.07080	15.1
58.06584	3.6
60.04516	4.4
61.04883	1.7
65.03928	7.9
67.05516	18.9
69.03430	9.0
69.07074	29.8
69.30956	4.7
69.31367	10.3
79.05502	15.5
81.03433	10.1
81.07062	55.7
83.08630	10.1
85.02933	9.6
87.04436	1.9
91.05466	10.8
93.07050	61.5
95.08614	52.8
96.16931	1.6
97.02899	33.6
97.10160	7.1
99.04456	7.7
105.07018	6.6
107.08600	44.6
109.02883	22.6
109.09469	2.9
109.10165	44.2
112.01447	1.9
113.96418	3.7
117.33796	2.0
119.00175	2.4
119.01877	1.9
119.08563	3.0
121.02872	7.3
121.03975	3.0
121.06497	6.8
121.10152	100.0
122.91586	2.6
123.11707	37.4
126.05528	2.1
127.03915	7.7
127.05876	4.7
133.10103	2.2
135.11691	39.4
139.03928	2.5
142.03482	2.6
145.02838	14.2
145.10124	2.3
147.11658	2.3
149.02351	80.2
149.13266	73.2
160.07549	2.9
163.02826	3.6
163.14825	7.7
177.12791	4.2
205.05013	33.5
205.06798	5.3
205.08917	6.9
205.12233	6.8
205.14107	6.8
205.15872	3.7
205.19528	84.9
206.19084	3.7
223.00104	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	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
55.03719	0.4
60.39600	0.4
60.85128	0.4
70.91836	0.7
74.02442	1.4
74.98664	0.4
81.75044	0.4
85.02900	0.7
91.05479	1.2
91.56723	0.4
97.02889	0.8
112.38026	0.4
115.05444	2.7
117.05773	1.3
117.07015	2.0
117.48087	0.4
118.06549	34.9
130.06516	2.3
132.08095	10.9
142.06537	3.8
143.07286	5.2
144.08093	19.2
146.06013	92.9
146.13623	0.4
149.02342	2.2
159.09187	11.3
160.07578	1.3
170.06015	6.6
177.07907	0.8
177.11020	0.7
181.97919	0.4
188.07072	100.0
205.04961	1.6
205.09715	1.2
206.11681	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	205.1589
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03931	2.4
54.69879	0.8
55.01863	2.5
55.05511	9.4
56.96566	13.6
57.03426	2.2
57.07078	7.9
57.51266	0.8
58.06602	1.2
60.04509	3.6
61.02913	1.2
65.03955	5.2
67.05506	7.7
69.03436	7.2
69.07077	7.2
71.05001	22.3
71.08617	0.8
72.08163	7.5
78.95267	1.3
79.05502	5.3
79.86547	0.9
81.03423	6.8
81.07064	13.8
83.04971	0.8
83.08627	4.3
85.02907	9.3
87.04453	1.7
89.03925	1.4
91.05489	8.5
93.07053	14.0
95.04955	3.1
95.08609	21.5
97.02898	22.2
97.06522	2.1
97.10172	1.2
98.97565	1.0
99.04477	5.6
99.08092	1.9
102.02240	1.3
105.07033	32.5
107.08602	12.8
109.02892	14.9
109.06515	2.4
109.10152	5.0
111.07352	0.9
111.08089	2.8
111.89317	0.9
112.27068	0.8
113.09650	15.2
113.96437	1.3
115.05432	1.3
117.07011	3.8
119.00155	2.2
119.08578	14.6
119.97901	1.9
121.02856	5.2
121.03947	1.0
121.06524	4.6
121.10147	11.4
122.91618	1.2
122.94244	0.9
123.11689	2.5
126.05164	1.0
127.03909	4.8
127.05882	1.2
131.08572	14.8
133.10104	2.8
135.08035	1.0
135.11694	2.8
139.03886	1.4
140.92642	1.0
145.02850	10.2
145.04939	1.9
145.10133	22.5
147.11691	31.9
149.01297	2.3
149.02350	48.6
149.09656	1.2
149.13235	3.6
157.01651	1.3
159.11682	6.1
161.13245	3.7
163.02782	1.5
163.11189	2.6
163.14828	3.8
163.96935	1.4
175.08765	2.0
177.12744	5.9
181.03914	1.2
181.97870	2.2
184.09329	4.9
184.59593	0.9
187.07545	0.9
187.11174	1.3
187.14830	33.8
193.09904	1.2
195.60146	1.0
196.16878	1.2
199.98912	1.0
204.60579	1.0
204.99503	1.0
205.03194	1.6
205.05011	23.3
205.06837	2.6
205.08839	2.5
205.12248	7.9
205.14368	3.6
205.15883	100.0
206.11682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.175
Annotation	2-Pentyl-1,2,3,4-tetrahydroquinoline
Peak:m/z	Relative Intensity
53.03959	0.3
54.35804	0.2
55.05506	0.4
56.96575	0.6
57.03444	0.4
58.36746	0.2
58.95933	0.2
60.04528	4.7
61.02936	0.3
62.61663	0.2
65.03938	0.2
67.05521	0.3
68.05030	0.4
69.03438	0.5
69.20671	0.9
69.21101	1.0
70.11673	0.2
71.08627	1.5
72.08161	0.5
73.02930	0.7
79.05504	0.2
81.03427	0.4
81.07042	0.4
84.04508	1.1
84.96037	0.3
85.02915	0.8
91.05463	0.5
93.05779	0.2
93.07049	0.2
94.81532	0.2
96.04507	0.7
96.49290	0.2
97.02901	1.4
98.97546	0.3
103.05513	0.2
105.07041	0.5
107.04975	0.2
107.08628	0.2
109.02930	0.3
110.97588	0.6
114.05560	0.4
115.05476	0.2
117.07030	0.7
118.06558	2.8
119.07330	3.9
121.06478	0.3
121.52708	0.3
126.05521	1.1
127.03932	0.3
128.98627	0.7
132.08115	0.4
134.09662	51.8
135.09999	0.3
137.06061	0.3
144.06509	0.2
148.11171	0.2
149.02304	0.4
150.06808	0.3
176.10703	0.2
180.54021	0.3
186.07625	0.3
188.14308	0.3
189.11497	0.3
192.05396	0.5
204.08803	1.4
204.17488	100.0
205.05005	0.2
205.17825	0.9
206.02444	0.4
223.02734	0.3
224.03462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20397	0.3
55.05513	1.2
56.05022	0.3
57.03435	0.4
60.04532	4.1
61.02929	0.4
69.24387	1.6
69.24822	1.5
70.76046	0.3
71.08626	1.8
72.08161	3.7
79.05482	0.7
81.07065	4.3
84.04508	0.9
85.02917	0.4
86.09710	29.1
88.11253	1.5
96.04490	0.4
97.02856	0.6
98.20786	0.6
101.90380	0.3
102.96870	0.6
114.05531	0.5
120.97907	0.5
126.05523	0.7
137.06010	0.5
142.15919	100.0
143.16264	1.0
172.03979	0.4
176.06262	0.7
186.18526	8.0
188.07152	0.3
189.51602	0.3
193.88443	0.4
204.08113	18.6
204.10117	0.9
204.13841	2.7
204.19604	22.1
205.08826	1.3
205.12206	0.4
208.74794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03936	1.5
55.05508	4.5
56.96556	1.4
57.07057	1.8
60.04516	4.5
67.05505	18.9
69.07072	8.7
70.69316	1.1
71.55145	1.8
72.08153	1.2
73.86407	1.1
79.05499	11.8
81.07069	28.7
82.01447	1.9
83.08622	3.1
83.58978	1.1
84.04501	2.2
91.05485	13.5
93.07051	29.4
95.08614	48.8
97.10176	2.0
98.75858	1.2
100.02460	6.8
101.07582	1.0
105.07036	35.4
107.08601	32.7
109.10161	29.3
111.04425	1.3
117.07008	1.6
118.03526	2.8
119.08593	25.1
120.96595	1.3
121.09325	1.8
121.10156	26.0
123.04008	1.3
123.11721	6.2
125.21088	1.1
126.05518	3.8
131.08586	1.1
133.10132	29.3
135.11707	4.5
145.10159	2.7
147.11700	44.7
159.11711	1.4
160.12518	1.1
161.13264	14.4
175.14838	9.5
179.98021	1.1
185.13300	1.5
197.99149	4.8
203.07068	5.1
203.10715	2.6
203.14388	4.8
203.17964	100.0
204.08649	1.8
204.13855	3.9
204.18132	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.21973	0.6
53.03946	0.6
55.05514	4.3
57.07070	0.9
58.82554	0.5
60.04513	2.6
67.05170	1.0
67.05508	11.8
69.07075	5.7
71.21396	1.2
79.05502	5.7
81.07065	20.0
83.08622	2.3
84.04512	1.4
91.05490	8.6
91.53171	0.5
93.07056	18.8
95.08616	48.9
96.04477	1.2
97.02919	0.7
100.02486	2.6
105.07041	31.0
107.08603	33.7
108.03012	0.7
109.10165	31.3
117.07051	0.9
117.75315	0.6
118.03512	0.9
119.08590	24.5
121.10158	13.8
123.11721	6.1
126.05482	1.7
131.08571	1.0
133.10152	16.7
135.11693	2.6
145.10126	1.5
147.11703	34.3
161.13272	16.6
170.60242	0.6
175.14818	8.0
179.98030	0.8
197.99269	1.2
203.05199	1.2
203.07047	2.0
203.10683	1.9
203.17975	100.0
204.08646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1284
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
54.98653	0.6
55.01884	0.5
55.75055	0.4
56.05022	0.8
56.96567	4.7
57.03442	0.7
69.03419	0.8
69.07081	0.6
69.75980	1.3
69.76392	1.4
71.08637	6.2
71.95271	1.7
72.08161	0.7
79.05494	0.7
83.04942	0.5
84.04511	11.6
84.08165	0.6
85.02913	23.1
86.09715	0.8
87.04458	1.1
88.11275	1.7
90.78758	0.5
91.05499	3.0
95.01342	1.6
98.20719	0.5
98.97592	74.9
102.05547	11.7
112.03986	1.6
116.98632	40.3
119.04944	1.0
130.05014	84.6
131.05331	0.5
134.99678	14.9
136.06232	0.9
137.05980	4.1
138.09149	1.5
140.00197	2.1
140.07018	0.4
153.00713	2.1
154.08598	0.8
158.01241	2.2
158.06046	0.9
158.09605	0.8
158.99695	0.7
165.05452	0.6
172.13420	1.0
177.00690	3.0
182.11778	1.0
184.08066	1.0
186.11601	1.2
189.05972	0.5
195.01747	1.6
196.54556	0.4
200.12831	100.0
201.13341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1393
Annotation	L-Leucyl-L-alanine
Peak:m/z	Relative Intensity
55.05518	1.8
56.05033	4.1
56.96567	2.3
57.07079	27.6
58.59190	0.7
68.48758	0.8
69.87154	3.4
72.08187	0.8
74.09722	100.0
78.93657	0.7
83.06110	2.3
84.04510	99.3
85.02910	5.5
97.02873	1.7
98.20779	0.7
98.97595	2.8
102.05535	4.0
116.98611	0.7
119.01848	1.5
128.02330	1.1
130.05009	39.5
137.02339	2.0
147.04411	1.5
157.13371	22.7
158.99690	0.9
176.10747	0.9
176.22960	0.6
186.11263	78.3
191.05771	1.9
203.13928	23.1
211.48296	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30275	0.6
55.05512	2.9
56.05041	3.3
56.96572	3.6
57.03450	0.8
57.07081	26.5
60.04520	1.6
66.24323	0.7
66.64922	0.7
69.03421	2.1
71.35610	1.6
72.08172	1.3
73.02919	1.1
74.09722	96.4
74.37301	0.6
81.07046	1.2
83.04965	0.8
83.06100	1.9
83.08627	2.2
84.04507	100.0
84.08186	0.8
85.02917	5.7
86.09692	1.0
91.05463	1.2
97.02866	0.9
98.97592	6.4
101.00877	1.0
102.05566	4.4
102.86934	0.7
108.44225	0.8
110.97559	1.6
111.04435	0.9
111.48535	0.6
116.98641	1.9
119.01917	2.1
119.04940	1.5
119.08630	0.7
120.96509	0.8
128.98599	0.9
130.05011	39.2
132.10156	0.8
137.02338	2.2
145.86076	0.8
147.04410	3.1
147.06931	0.7
157.13358	19.5
158.99664	2.0
161.02974	0.8
164.07063	1.0
168.05496	1.0
176.10709	2.0
177.00719	1.5
179.98004	0.7
182.05219	2.3
183.03088	0.9
186.11264	84.0
187.11566	1.3
191.05821	2.8
203.05309	1.6
203.10922	1.2
203.13918	24.8
204.10176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.133
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03940	1.0
55.05511	18.6
56.96556	3.0
57.03432	1.1
57.06825	0.8
57.07078	10.9
67.05501	3.5
67.15853	0.5
67.62442	0.5
69.03435	1.2
69.07065	4.8
70.19173	1.9
71.04990	0.7
72.04512	1.0
74.09717	7.5
75.94581	0.6
79.05505	3.9
81.07061	5.6
83.04982	9.7
83.08621	2.0
84.08944	0.8
85.06544	6.5
89.00382	0.5
91.05466	3.3
93.07050	10.7
95.04958	1.6
95.08606	8.3
97.06503	4.0
98.97588	13.9
100.07628	2.6
102.09190	0.5
105.07035	4.7
106.07355	0.6
107.04979	0.9
107.08597	16.7
107.09299	1.1
109.06506	3.0
109.10159	3.1
111.04444	100.0
111.08088	3.4
113.06012	1.6
116.97256	6.2
116.98610	8.4
117.07011	2.6
119.08589	1.2
121.06498	3.0
121.10151	2.4
122.07211	1.1
123.08066	1.4
125.05994	26.1
127.07540	2.4
130.07791	1.4
130.52635	0.7
131.99568	2.2
134.95863	1.1
134.99667	3.5
135.08066	14.4
135.11690	18.9
135.12714	1.1
137.13278	1.5
139.07559	3.9
140.00180	1.3
140.04623	0.6
143.08565	1.0
143.63715	0.5
145.10123	14.4
149.01262	1.2
152.96989	2.2
153.12762	4.7
155.07217	0.8
158.01277	2.0
158.15427	1.2
163.07542	0.8
163.11192	21.4
164.07759	1.1
175.59018	0.5
175.98538	5.0
176.02385	1.8
181.12236	38.3
182.08263	0.5
184.59523	0.8
194.03569	0.6
199.00215	1.0
199.11372	0.7
199.13249	0.6
199.14890	2.0
199.18896	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
52.13778	1.2
52.79543	1.3
53.03938	2.3
55.01859	4.2
55.05264	1.9
55.05511	27.9
56.96573	10.0
57.03420	4.4
57.07058	3.8
65.03940	1.1
65.60609	1.1
66.98381	1.2
67.05504	30.9
69.03461	1.3
69.06734	1.6
69.07072	29.6
70.33166	1.2
70.59797	4.0
70.95860	16.0
71.04997	10.3
72.93790	6.0
79.05494	15.9
81.03407	1.7
81.07057	81.8
83.04979	8.7
83.08141	2.2
83.08618	23.6
85.02858	1.3
85.06548	18.2
88.96893	2.6
91.05478	21.0
93.03418	1.8
93.07042	24.1
95.05002	2.4
95.08607	100.0
97.06534	23.8
97.10167	10.0
99.08080	5.1
101.06017	2.0
105.06393	2.0
105.07041	27.4
107.08598	15.3
109.06499	6.4
109.10140	7.7
111.08081	5.7
111.98478	21.0
113.09612	1.5
113.96452	1.4
115.07579	2.1
117.07036	2.4
119.08584	44.0
121.10150	14.0
123.08054	11.4
127.07552	3.9
129.99500	4.8
131.08577	1.5
132.95833	39.8
133.09113	1.8
133.10127	32.1
135.11690	32.3
137.05969	2.1
137.09622	3.6
137.13252	30.0
141.09123	1.8
150.96899	31.5
151.03970	3.4
155.97423	28.0
157.52681	1.7
161.09602	2.7
161.13258	85.1
165.03952	2.0
167.08505	1.3
167.65407	1.3
173.98492	29.0
174.04480	2.9
179.10788	7.4
179.14302	56.0
197.00060	3.9
197.05931	2.5
197.10019	2.6
197.11743	5.7
197.13463	2.5
197.15375	12.9
197.17188	2.2
198.18532	20.8
211.28729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.7
55.01864	4.4
55.05511	6.8
56.96570	10.5
57.03442	11.1
57.07082	1.9
58.99881	1.2
61.02932	50.8
61.97807	1.3
67.05510	4.2
69.03441	7.5
69.07075	9.6
70.06589	5.2
70.07389	1.6
70.98116	1.9
70.99854	3.1
71.04998	3.4
72.04515	2.1
72.08176	3.3
73.02915	10.2
74.09724	15.3
77.00935	1.5
79.05495	4.9
81.03428	3.7
81.07066	2.4
82.02670	1.9
82.06603	1.9
83.04997	3.2
83.08607	2.7
84.01559	1.7
84.04519	3.5
84.08125	1.3
84.96000	1.6
85.01408	2.6
85.02917	13.7
85.06560	2.1
86.06078	4.4
88.02686	1.6
91.03206	2.0
91.05492	3.9
93.01952	1.3
93.07037	4.3
94.06607	1.4
95.04995	2.9
96.02415	1.9
96.04490	5.6
97.02885	3.8
97.06547	2.2
98.97604	8.9
99.04475	3.1
100.02513	3.5
100.07627	7.3
100.99187	1.5
101.00900	11.1
101.02583	5.5
102.02382	2.4
103.00668	2.9
103.02470	3.3
103.03197	2.2
104.02609	2.7
105.00275	2.2
105.02946	3.9
107.01799	1.7
107.04941	3.9
107.08577	2.1
108.04570	1.8
108.05309	1.4
108.08148	2.0
109.02958	2.2
109.06499	1.4
110.52234	1.7
111.00250	1.4
111.02950	5.3
111.04446	7.2
111.11720	2.3
112.03874	2.2
113.00871	5.5
113.02407	4.2
114.02674	1.6
114.03458	5.3
115.02443	7.7
115.03151	1.4
116.97234	5.6
116.98642	5.8
117.01902	1.7
118.03617	1.6
119.01918	24.2
119.03600	3.4
120.02125	1.4
120.03476	4.1
121.01698	8.8
121.03520	2.7
121.82034	1.3
122.03635	2.2
122.06028	2.3
123.02962	1.9
123.04439	2.6
124.07630	3.5
125.02647	3.3
125.07130	3.4
126.05572	1.6
127.02449	3.1
127.03978	6.3
128.98663	2.0
129.03003	3.0
129.03995	2.8
130.01959	2.9
131.01909	10.6
131.02722	1.6
132.02029	2.9
132.03481	3.6
133.01625	2.2
133.03468	19.9
133.04364	1.5
134.06032	2.7
134.99680	2.1
135.03226	1.5
135.08072	1.9
136.04842	2.3
136.07597	24.0
136.52951	1.5
137.02927	3.9
137.05997	4.8
138.03429	3.1
138.09187	4.1
139.02417	11.1
139.03947	1.5
139.52469	1.8
140.03496	2.2
140.04683	10.6
141.01257	2.5
143.01910	3.5
144.03334	2.3
144.99864	3.1
145.03471	17.4
145.54024	1.5
146.03273	4.8
146.06046	1.9
146.99651	1.6
147.01410	2.1
147.03059	1.7
147.05035	3.2
148.01631	2.7
148.02945	6.7
149.03020	4.3
150.01814	5.4
150.02953	2.0
151.04582	3.1
152.03162	1.4
152.07103	11.4
153.04076	1.5
153.05492	1.7
153.07474	5.7
153.09189	1.7
154.08624	3.2
155.03717	2.9
155.07079	2.4
156.08171	2.2
156.97459	2.6
157.03450	2.9
159.05037	2.4
160.02960	3.8
161.02921	9.5
163.04572	5.0
163.08658	8.9
164.07098	15.8
167.03847	1.8
168.01524	2.3
168.08130	2.0
169.03497	5.0
170.08142	2.1
171.01526	3.0
171.03181	8.8
173.02946	7.4
174.98586	2.2
175.00952	2.0
175.04579	4.0
175.98592	5.7
177.00870	2.8
177.02527	4.9
181.03426	2.0
181.05011	1.7
181.06851	1.6
181.09782	12.2
182.05515	4.6
182.08141	100.0
184.07654	3.4
184.10838	1.9
185.02971	7.6
187.00922	1.7
189.00790	1.7
189.02548	4.0
191.04005	7.2
198.98740	1.5
199.00949	4.5
199.07779	3.0
199.10861	15.3
199.13155	5.8
199.18924	76.3
200.03973	2.1
200.10822	2.0
201.02429	1.8
203.04013	7.2
209.03349	1.5
209.05168	6.4
216.99962	1.7
217.01936	3.4
217.05592	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	11.5
60.09733	6.5
61.02920	29.5
68.25571	6.2
69.03431	14.7
69.96184	9.4
70.76328	10.2
70.76675	13.1
73.02939	7.5
79.07777	6.3
81.07066	9.0
81.61944	6.2
84.08176	7.7
85.01415	7.0
85.02901	11.1
91.05501	13.2
93.07047	23.1
97.02883	16.2
100.02478	21.0
101.00892	11.9
102.02396	6.4
102.58691	6.8
105.07031	11.3
105.70026	6.9
110.14227	7.3
111.02901	6.5
113.95134	10.2
115.02413	8.5
115.05507	9.0
119.01920	10.8
121.06522	23.2
123.08087	38.3
127.02361	11.0
131.01872	12.3
131.96156	100.0
136.07558	13.9
137.05974	11.1
143.01884	14.0
143.04909	13.4
144.99904	7.7
145.03423	7.6
149.05994	35.8
149.97195	80.1
150.09102	12.3
151.07576	22.8
154.97743	34.7
160.07526	6.8
161.05952	36.7
167.07001	18.1
172.98788	55.3
173.02950	14.6
175.13657	7.6
178.08559	40.1
179.07159	10.1
196.00668	12.5
196.06120	10.4
196.09685	82.7
196.11331	19.4
205.07436	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03949	1.0
55.01861	1.3
55.05516	9.4
56.96561	2.3
57.03425	0.9
57.07075	2.6
67.05505	5.6
69.03427	1.5
69.07075	17.7
69.81033	3.4
71.04984	3.9
79.05508	7.6
81.03420	1.6
81.07065	27.8
83.04961	0.7
83.08617	9.3
85.06555	1.5
89.03927	2.2
89.06012	0.9
91.05482	1.7
93.07048	17.0
95.08614	44.9
97.10191	3.9
98.21416	1.6
98.97578	2.6
99.08102	7.4
103.05450	1.1
105.07042	2.3
107.04973	2.7
107.08605	33.9
109.10168	8.9
111.08110	3.7
113.09647	6.3
116.98650	1.3
117.03382	4.1
121.06489	1.0
121.10152	49.0
123.08041	0.9
125.09662	3.8
125.13292	0.9
130.96356	1.1
133.10208	0.8
135.04445	1.2
135.08072	1.6
135.11710	9.9
137.13251	9.9
139.11237	1.9
145.02866	9.0
149.05959	3.9
149.13277	4.1
153.51476	0.9
154.06282	1.8
160.31001	0.8
162.01753	1.2
162.51952	1.2
163.03900	4.4
163.07524	1.3
170.67293	0.8
171.52452	1.1
175.11060	0.8
177.05492	13.2
177.16400	100.0
195.00371	0.8
195.02846	1.1
195.06589	1.4
195.11639	1.0
195.13989	0.7
195.17458	7.6
211.18890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03937	1.7
54.18961	0.8
54.29157	0.7
55.01862	2.4
55.05514	8.9
56.96556	3.5
57.03428	0.9
57.07088	3.7
61.69578	0.8
65.03928	1.1
67.05511	9.2
69.03429	0.8
69.06729	1.2
69.07072	18.6
69.32204	1.8
69.32603	6.0
71.05005	4.1
74.97599	1.1
78.04713	0.7
79.05130	0.9
79.05502	11.3
81.03397	1.6
81.07060	31.3
83.04954	1.7
83.08630	11.9
84.47574	0.8
85.02941	0.8
85.06544	2.1
89.03929	5.4
89.06041	1.8
91.05485	5.4
93.07047	19.1
95.04980	2.6
95.08611	48.2
97.06525	1.1
97.10178	4.3
98.97587	2.4
99.08092	7.3
103.05480	5.0
105.03387	1.2
105.07046	6.9
107.04966	24.4
107.08597	39.8
109.02840	0.8
109.06502	1.8
109.10152	7.6
109.98943	0.8
110.01311	1.0
110.97494	0.9
111.04418	1.2
111.08060	1.8
113.09663	6.8
115.05470	2.1
116.98592	1.0
117.03382	13.0
117.07021	1.6
119.04948	0.8
119.08557	1.1
121.06532	2.2
121.10151	51.7
123.11687	2.1
124.05164	0.9
125.09626	4.2
125.13196	1.1
127.99999	0.7
130.96349	2.1
131.08609	1.1
133.10138	1.4
134.03627	2.0
135.04404	4.8
135.08058	6.3
135.11710	11.3
137.05846	0.8
137.13268	13.3
139.03883	2.8
139.11172	2.8
141.01228	0.9
145.02850	26.2
148.97374	1.5
149.05971	7.2
149.09630	1.6
149.13275	7.3
153.01323	1.0
153.51370	0.9
153.97945	1.1
154.06253	9.0
158.11896	0.8
159.11743	1.9
162.01765	0.8
162.51964	2.2
163.01862	0.8
163.03917	13.2
163.07545	10.9
165.02267	1.1
165.06937	0.9
167.07080	2.4
171.52499	1.4
171.98955	2.2
177.05476	33.2
177.08992	1.0
177.16396	100.0
180.09270	0.8
195.02899	2.4
195.04895	0.8
195.06525	3.4
195.08281	2.0
195.10112	4.2
195.11714	1.5
195.13829	1.7
195.15805	1.6
195.17474	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	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
55.01872	4.6
55.05295	1.7
55.05516	16.2
56.96571	1.3
57.07073	5.1
59.04997	1.3
67.05497	7.9
69.03428	11.8
69.07073	37.7
70.61558	3.0
71.04996	6.2
73.05497	1.4
79.05490	7.1
81.07068	31.6
83.08620	14.8
85.06550	5.7
89.03928	3.1
91.05505	4.2
93.07053	18.0
95.08614	50.9
97.06554	3.1
97.10168	7.8
99.08103	55.5
105.07029	3.9
107.04985	2.3
107.08601	42.4
109.10172	12.3
111.08091	14.6
111.11723	3.1
113.09646	5.5
117.03371	6.8
121.06508	1.4
121.10150	62.2
123.11691	3.8
125.09635	30.7
125.13248	1.3
135.08118	1.3
135.11714	12.1
137.13261	18.6
139.11143	2.7
145.02870	11.0
149.05995	2.6
149.13266	4.1
163.03891	3.2
168.22118	1.3
177.05492	16.9
177.16396	100.0
195.08304	1.3
195.17468	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	195.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.6
55.05295	1.7
55.05516	16.2
56.96571	1.3
57.07073	5.1
59.04997	1.3
67.05497	7.9
69.03428	11.8
69.07073	37.7
70.61558	3.0
71.04996	6.2
73.05497	1.4
79.05490	7.1
81.07068	31.6
83.08620	14.8
85.06550	5.7
89.03928	3.1
91.05505	4.2
93.07053	18.0
95.08614	50.9
97.06554	3.1
97.10168	7.8
99.08103	55.5
105.07029	3.9
107.04985	2.3
107.08601	42.4
109.10172	12.3
111.08091	14.6
111.11723	3.1
113.09646	5.5
117.03371	6.8
121.06508	1.4
121.10150	62.2
123.11691	3.8
125.09635	30.7
125.13248	1.3
135.08118	1.3
135.11714	12.1
137.13261	18.6
139.11143	2.7
145.02870	11.0
149.05995	2.6
149.13266	4.1
163.03891	3.2
168.22118	1.3
177.05492	16.9
177.16396	100.0
195.08304	1.3
195.17468	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	4.7
55.01871	3.7
55.05269	1.3
55.05517	19.2
56.96566	7.9
57.03443	8.6
57.07068	4.6
64.73097	1.1
65.03942	2.7
67.05510	63.3
68.96329	2.4
69.03424	2.3
69.06727	1.9
69.07076	19.3
69.60246	6.7
70.06595	1.7
70.94267	1.5
71.01338	3.3
71.04987	6.5
71.95271	6.7
73.02917	3.3
75.95161	1.1
78.04734	1.2
79.05064	2.4
79.05501	39.0
81.03419	6.1
81.07063	100.0
82.01442	1.4
83.04995	11.6
83.08619	10.8
85.06562	5.5
87.04449	1.4
89.03946	1.6
89.06036	3.5
91.05489	22.4
93.03381	1.3
93.07051	61.6
95.04958	7.8
95.08617	33.9
97.02873	1.3
97.06537	12.6
97.99152	1.2
99.08110	2.7
100.02486	4.7
103.05492	1.6
103.47521	1.4
105.04510	1.9
105.07037	9.3
107.04976	5.8
107.08604	30.0
109.06501	4.1
109.10163	3.6
109.98888	2.3
111.04447	1.5
111.08093	8.4
112.99134	1.5
116.00315	1.4
117.03364	6.7
117.07046	8.5
118.03519	3.7
119.08582	4.3
121.02906	1.3
121.06483	3.2
121.10151	17.2
123.08078	2.8
123.11738	2.1
127.57515	2.8
130.96295	3.3
130.98949	2.0
131.00175	2.8
131.08574	14.1
133.02870	2.9
133.06493	1.8
133.10143	15.2
133.57509	2.2
134.03658	1.4
134.56595	1.2
134.57697	1.2
135.04401	7.6
135.08107	5.9
135.11705	26.3
136.58052	15.7
137.08192	1.2
137.09645	2.2
139.11140	1.1
142.58029	5.2
145.02859	10.7
145.58540	7.4
148.08865	2.7
148.97356	4.6
149.01196	2.0
149.05975	3.8
149.09715	2.6
149.13266	26.4
151.11212	1.5
151.58577	14.8
153.97893	4.7
154.06259	2.5
154.08751	3.0
159.11707	16.0
160.59120	6.3
163.03915	57.4
163.09373	2.7
171.98985	3.9
177.05469	18.4
177.09061	1.6
177.12759	14.5
177.16389	3.9
195.02867	3.3
195.06503	5.3
195.08260	4.0
195.10037	2.3
195.11742	3.6
195.13821	18.5
195.15717	5.3
195.17337	1.3
196.09569	1.4
196.17020	1.7
211.82417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
52.65740	1.4
53.03951	7.6
55.01865	4.3
55.05515	25.9
56.96564	6.5
57.03437	13.7
57.07071	6.1
65.03940	4.2
65.79485	1.5
67.05513	35.8
68.96340	1.7
69.03424	6.8
69.07072	53.3
70.06606	2.9
71.05002	18.1
71.56718	2.3
71.95277	3.0
77.03931	1.9
79.05501	59.2
81.03434	4.7
81.07063	68.7
83.04980	5.6
83.08614	11.7
85.06559	4.2
89.03909	3.6
89.06049	3.0
91.05488	45.6
93.07050	100.0
95.04968	11.6
95.08611	29.2
97.06542	8.0
99.08121	2.8
100.02457	3.1
103.05486	2.9
105.04551	2.4
105.07043	29.6
107.04964	14.5
107.08603	63.3
109.06525	19.5
109.10194	4.8
109.98952	2.2
111.08102	2.3
115.05458	5.2
116.06289	1.7
117.03404	6.6
117.07029	22.9
119.06097	2.5
119.08601	18.8
121.06506	15.7
121.10143	21.5
123.08083	15.2
129.07039	6.6
130.07790	5.9
130.96291	3.6
131.00185	3.3
131.05003	1.5
131.08580	32.6
133.02858	6.4
133.06520	17.6
133.07492	2.7
133.10159	8.9
135.04448	10.7
135.08075	8.3
135.11710	15.4
137.09680	2.3
138.06575	2.1
142.18115	1.4
143.05482	1.8
143.08578	1.5
144.09363	6.4
145.02853	12.8
148.97391	4.1
149.01210	3.5
149.05974	4.2
149.09709	3.4
149.13264	20.0
151.03960	3.5
152.06027	2.6
153.97914	2.7
154.06253	3.2
154.56244	1.8
157.10223	1.6
159.11687	19.5
163.03915	88.7
163.07579	3.1
167.07011	1.5
171.98932	2.3
177.05472	22.2
177.09093	1.5
177.12808	13.3
177.16425	3.7
195.02890	3.4
195.06523	4.1
195.08606	4.3
195.11693	2.3
195.13867	6.6
195.15686	2.9
201.28951	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03947	3.2
55.01880	2.3
55.05515	12.6
56.96571	1.6
57.03445	2.8
57.07086	1.6
59.05011	1.1
63.43684	0.6
65.03948	2.8
67.05509	100.0
69.03444	3.5
69.06725	1.0
69.07076	17.3
70.06575	0.7
71.04996	7.0
71.56750	0.6
71.57236	0.8
71.95268	1.4
72.08150	2.2
73.02932	1.0
74.14424	0.7
77.03907	0.7
79.05498	39.0
80.10166	0.8
81.03426	5.2
81.07063	99.1
83.04985	8.8
83.08619	11.2
85.02927	1.0
85.06559	5.0
89.03929	4.6
89.06049	1.7
91.05484	26.0
93.07051	57.6
95.04985	5.8
95.08614	42.1
95.18485	0.7
97.02866	0.9
97.06538	18.1
97.10159	3.5
99.04498	0.9
99.08098	6.4
100.02524	0.9
101.06024	1.1
102.73145	0.8
103.05466	3.9
105.04511	1.6
105.07035	10.5
106.04157	0.7
106.07378	0.6
107.04962	10.6
107.08604	26.1
109.06517	3.9
109.10159	4.0
109.98971	1.4
111.04489	1.0
111.08095	8.5
113.06017	1.9
113.09640	0.8
117.03392	11.4
117.07022	12.9
119.08595	2.6
121.06538	3.7
121.10152	14.8
123.08133	1.1
123.11729	1.2
125.09642	2.4
129.06992	1.2
130.96339	2.2
131.08585	14.5
133.02791	0.9
133.10144	21.0
134.03644	2.0
135.04451	4.5
135.08078	5.9
135.11703	37.7
137.13290	1.7
138.06557	0.9
139.03920	2.7
144.67165	0.7
145.02856	18.9
148.97404	1.6
149.05988	6.5
149.09624	2.3
149.13269	37.4
151.11192	5.4
152.06213	0.8
153.09114	1.1
153.12787	1.0
153.97914	1.9
154.06226	7.2
159.11700	28.9
163.03946	8.7
163.07620	3.6
165.07028	1.2
167.07018	2.1
167.08609	4.4
171.98979	2.1
177.05478	27.8
177.12752	21.7
177.16414	6.5
186.05461	1.1
195.02914	2.7
195.06552	3.2
195.08209	2.3
195.10162	2.6
195.12021	1.7
195.13815	28.9
195.15578	1.3
195.17494	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03943	1.0
55.01867	2.3
55.05520	2.0
56.96550	0.7
57.03431	0.8
57.07072	0.4
57.86481	0.4
63.09555	0.4
63.50806	0.4
65.03937	3.5
65.77664	0.4
67.05506	2.0
69.03439	0.9
69.07071	3.0
70.80352	0.8
71.04980	0.7
77.03958	0.3
79.05499	6.2
81.03414	0.8
81.07059	5.2
83.04980	0.7
83.08633	1.9
85.06546	1.0
89.03925	3.2
91.05476	4.0
93.03407	5.0
93.07039	3.7
95.04967	1.7
95.08611	6.9
96.17355	0.4
97.10181	1.0
99.08107	4.8
103.05473	20.9
105.07034	8.1
107.04961	26.2
107.08588	4.9
109.02864	0.9
109.10165	1.4
111.04448	4.6
111.08102	2.9
113.09640	0.8
115.05468	3.1
117.03384	7.0
117.06988	1.8
119.04989	0.5
120.05723	2.3
121.06515	1.8
121.10143	7.2
123.04410	0.4
123.11724	0.4
124.05253	2.1
125.05987	0.8
125.09636	1.1
130.96210	0.5
131.04929	4.8
132.05649	0.4
133.02924	0.4
133.06534	0.7
134.03630	1.3
135.04407	1.1
135.08061	18.3
135.11679	2.3
137.13246	1.4
139.03911	23.2
139.11183	0.8
145.02853	11.7
145.03990	0.6
145.06480	0.7
145.07613	1.0
147.04384	0.5
148.05191	0.7
148.97350	0.6
149.05980	3.0
149.13258	0.8
153.05476	0.4
153.97891	0.5
154.06256	100.0
155.06654	0.5
159.11685	0.5
163.03934	3.8
163.07553	36.1
167.07018	3.6
171.99014	0.5
173.02434	0.4
177.05478	17.2
177.12805	0.5
177.16391	12.7
180.07831	0.9
186.05482	0.5
195.06497	1.5
195.08429	0.7
195.10159	10.0
195.11804	0.9
195.13869	0.4
195.17389	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03947	5.1
55.01880	4.3
55.05513	22.2
56.96575	6.7
57.01781	1.3
57.03441	8.5
57.07072	4.6
65.03937	2.4
67.05509	62.5
68.96338	1.4
69.03424	2.7
69.07069	19.0
69.26814	7.0
69.27234	5.0
70.06590	1.6
70.98133	2.0
71.01347	1.4
71.04992	8.9
71.95271	8.7
73.02917	1.4
79.05500	44.4
81.03426	24.4
81.07061	100.0
82.01449	1.8
83.04987	17.7
83.08630	12.6
84.08167	2.0
85.02915	3.9
85.06541	3.4
86.06007	1.3
87.04453	2.2
89.03925	2.8
89.06025	7.9
91.05486	34.1
93.07051	65.0
95.04974	10.3
95.08613	34.7
97.06539	17.8
99.04446	2.1
99.08097	3.7
100.02491	4.2
103.05508	2.0
105.07034	12.1
107.04964	6.6
107.08604	30.4
109.06528	3.6
109.10183	5.3
111.08080	9.0
112.97874	2.7
112.99148	1.7
115.70668	1.6
117.03386	5.7
117.07024	14.9
118.03541	2.3
119.08591	3.7
121.06513	11.6
121.10139	13.3
125.06004	1.6
127.07539	1.3
128.77345	1.5
130.96346	2.6
130.98943	3.1
131.00154	3.4
131.04941	1.9
131.08575	14.0
133.02899	3.2
133.08585	3.2
133.10144	19.2
135.04448	5.0
135.08063	5.5
135.11694	27.3
145.02827	7.8
148.97408	3.6
149.05980	4.0
149.09692	4.0
149.13281	24.8
152.05952	3.3
153.97917	3.0
154.56184	1.3
159.11711	20.3
163.03920	49.3
167.06982	1.4
167.08716	1.3
167.14439	1.4
171.98997	3.2
172.02751	1.4
177.05508	13.2
177.12730	14.0
177.16440	3.2
195.02910	3.3
195.06575	3.7
195.08617	4.8
195.11972	2.9
195.13826	30.7
195.15742	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	194.1177
Annotation	SALSOLINE
Peak:m/z	Relative Intensity
56.96576	0.9
60.04523	2.0
69.69004	3.2
70.06603	1.1
81.08028	0.5
91.05482	6.2
93.07054	1.0
95.04974	1.2
98.21547	0.7
102.05543	0.8
103.05474	1.4
105.07037	1.7
115.05465	8.2
116.07090	0.6
117.07024	57.9
118.07285	0.7
119.04964	2.7
121.06510	4.9
131.08572	3.3
133.06514	1.4
134.08148	0.8
134.09651	1.2
134.81387	0.5
135.66644	0.6
136.05176	0.9
137.05946	1.7
145.06491	92.7
149.09581	1.4
151.07556	30.5
155.06035	2.7
159.08049	4.5
162.06779	3.6
162.09137	1.4
163.07536	0.9
164.07045	0.6
165.09129	7.4
171.01382	0.8
177.09117	79.6
182.85318	0.5
190.64557	0.6
191.64581	0.6
194.11778	100.0
195.12108	1.0
209.55936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01861	1.6
55.05505	1.2
56.96577	0.6
57.03429	0.9
57.07047	0.4
65.03938	3.6
67.05502	3.1
68.96304	0.5
68.99786	0.7
69.03414	0.9
69.07077	2.6
70.06590	0.8
71.01353	0.5
71.04995	0.9
71.57246	0.8
79.05057	0.7
79.05495	7.0
81.03412	1.1
81.07066	4.2
83.04977	1.3
83.08623	1.4
84.08170	0.4
85.06549	0.5
89.03928	3.1
89.06017	1.0
91.05481	5.3
93.03413	4.3
93.07048	4.1
95.04977	1.6
95.08604	5.0
97.06530	1.0
97.10172	0.4
98.06045	0.5
99.08093	1.7
103.05476	20.9
105.06307	0.5
105.07032	10.0
106.04147	0.4
107.04961	28.8
107.08594	4.1
109.02898	1.7
109.06541	0.7
109.10155	0.9
111.04432	3.9
111.08096	0.8
112.99136	0.5
115.05460	2.3
117.03391	7.0
117.07042	1.9
119.04911	0.7
120.05727	2.3
121.02862	0.7
121.06501	2.2
121.10163	3.6
124.05213	1.5
125.06020	0.7
125.09630	1.4
130.96341	0.7
131.04961	4.3
131.08597	0.7
133.06525	0.8
133.10149	0.6
134.03645	1.2
135.04419	1.5
135.08061	19.3
135.11665	2.6
137.05983	0.6
137.13257	1.1
139.03911	25.9
145.02856	11.6
145.06584	0.5
145.07607	0.9
147.04471	0.6
148.05193	1.1
148.97395	0.9
149.05960	3.1
149.09619	0.6
149.13287	1.7
153.09103	1.5
153.97870	1.0
154.06258	100.0
159.11694	0.9
163.03923	3.6
163.07555	36.8
167.07071	4.3
171.98964	1.3
177.05486	14.5
177.12738	0.7
177.16380	4.3
180.07823	0.8
183.08821	0.4
195.03128	0.5
195.06596	1.9
195.08420	1.0
195.10162	10.2
195.11757	0.7
195.13858	1.3
195.15662	0.8
195.17352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.1178
Annotation	Heliamine
Peak:m/z	Relative Intensity
55.79021	0.5
56.96551	1.1
67.50867	0.5
69.82013	1.7
69.82420	0.9
85.23391	0.6
91.05473	1.9
97.02889	0.6
98.20753	0.8
98.97606	1.0
103.05461	1.2
105.07040	3.1
105.84235	0.5
109.06515	1.5
115.05428	1.3
117.07020	6.0
119.04935	1.2
121.06506	1.0
127.54106	0.7
131.03427	0.5
131.04942	2.9
131.08594	2.3
133.06471	0.7
134.09639	2.1
135.08054	1.6
136.05232	1.0
137.05968	3.2
143.66589	0.5
145.06493	9.8
148.07530	1.1
150.06744	0.9
151.07547	41.3
157.05371	0.5
159.08040	2.2
162.09129	2.1
163.07545	3.4
163.09930	0.5
164.07076	0.5
165.09113	15.7
176.07095	0.6
176.10751	0.5
177.09109	11.4
179.07965	0.5
179.09357	2.2
194.08228	3.1
194.11775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66782	0.8
52.69593	0.8
53.03954	2.0
55.01852	1.3
55.05263	0.9
55.05516	11.0
56.96555	1.3
57.03437	1.3
57.07066	2.7
59.04987	3.2
65.03962	1.1
67.05177	1.1
67.05512	18.5
69.03437	1.1
69.07064	5.5
69.19591	8.1
71.04980	1.0
79.05504	9.7
81.03410	3.4
81.07060	12.1
83.04987	2.4
83.08622	4.0
85.06549	17.6
91.05479	8.4
93.07046	17.9
95.04968	3.9
95.08048	1.3
95.08612	12.4
99.08101	100.0
103.05447	2.3
105.03406	1.3
105.07037	17.2
107.04932	1.1
107.08602	18.2
109.06527	4.5
109.10164	37.4
110.97546	0.9
111.08107	1.1
115.05473	2.0
118.04140	1.0
119.04975	0.9
119.08591	10.7
121.10127	4.4
123.08082	5.9
123.11718	3.3
129.07092	0.8
133.06496	9.8
133.09261	0.7
133.10143	15.4
135.11707	21.0
137.05965	2.0
137.09633	16.1
138.10382	1.1
143.06078	1.3
147.04367	1.4
147.11687	2.6
149.13242	1.1
151.11244	4.6
151.14894	1.6
161.05998	12.1
161.53372	1.8
165.05617	1.1
165.07010	14.7
165.16425	2.0
175.14850	9.6
176.08401	1.2
178.02716	0.8
178.08026	3.9
181.05737	2.5
190.06128	0.9
192.08138	7.1
193.04993	7.8
193.06664	2.4
193.08788	16.7
193.10506	7.2
193.12189	1.9
193.15898	54.7
196.43103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.01862	1.0
56.96563	1.2
57.03431	2.7
57.07079	1.3
65.03946	1.2
65.13469	0.8
67.05508	3.4
67.46530	0.7
69.03426	2.4
69.07072	1.0
69.72543	1.1
69.72949	3.2
71.95317	0.9
79.05505	3.7
80.05030	1.4
81.03418	1.2
81.07069	2.5
85.02940	1.3
86.06066	0.9
87.04478	3.4
91.05489	20.6
93.07050	5.4
94.02960	1.2
94.07375	0.8
95.08603	1.0
98.06059	3.3
102.04681	2.2
103.05473	9.5
104.06304	1.1
105.03396	1.0
105.07030	11.8
106.07343	0.8
107.04996	1.5
107.08635	1.0
108.04482	2.1
108.05690	1.4
108.08949	1.2
108.19882	0.7
109.06456	1.0
109.10076	0.7
110.06020	1.2
115.05495	2.8
116.06248	7.3
117.07030	4.1
119.04950	28.9
119.08615	0.9
120.08139	1.1
120.08965	0.9
121.06530	2.6
123.04442	3.0
123.08053	3.6
124.07643	0.9
130.04153	1.2
131.04933	22.3
131.08588	1.1
132.05765	2.6
133.02896	4.1
133.06502	17.0
133.10179	1.4
134.06044	2.0
134.07280	6.8
134.10468	1.3
135.11699	2.4
136.05249	1.8
136.07594	2.2
136.12024	4.5
137.05998	2.1
138.05540	2.0
144.05721	1.6
145.06493	4.1
147.04422	15.6
147.08052	1.6
148.03891	1.0
148.04942	1.1
148.07591	3.1
149.06001	3.9
151.07552	29.5
158.07259	0.9
159.11699	1.6
161.05994	7.2
162.06747	2.8
163.03983	1.7
163.07549	13.1
165.05495	3.1
166.05072	0.8
166.08626	4.5
167.07097	2.8
176.07120	2.7
176.15202	2.5
177.09135	8.7
179.07045	39.4
189.60188	0.8
194.09459	100.0
194.11729	4.7
194.15364	23.3
195.09908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.05504	2.9
56.52506	0.8
56.76076	0.8
63.04991	0.8
67.05503	3.3
69.07083	4.0
69.73638	5.1
71.04999	4.1
79.05470	4.2
81.07053	8.1
83.08588	1.1
85.06526	1.7
91.05471	4.4
93.07043	12.1
95.08601	8.9
97.06549	0.9
99.08112	2.0
105.07040	10.3
106.04072	0.8
107.08594	23.9
109.06501	0.9
109.10161	16.4
111.08105	2.4
113.09666	0.8
114.73557	0.9
119.08578	19.8
121.10158	3.6
123.08086	3.0
123.11707	6.9
133.06520	1.8
133.10132	100.0
135.11694	58.7
137.09630	3.0
138.10393	2.3
145.10085	1.7
147.11711	5.0
149.13242	1.2
160.12553	0.8
161.06006	1.8
169.93886	0.8
175.14832	49.7
193.05070	1.3
193.15891	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.01888	1.0
55.05499	3.5
56.65720	1.1
57.07072	1.2
67.05485	3.2
69.07063	5.2
69.73403	3.4
69.73833	3.4
71.04993	5.0
72.04516	2.2
79.05494	3.9
81.07082	7.0
83.08623	1.9
85.06541	1.5
86.51971	1.2
88.55442	1.1
91.05466	6.2
93.07050	13.9
95.04987	1.4
95.08615	15.3
97.06528	2.2
99.08089	2.9
105.07035	19.3
107.08601	28.6
109.06522	5.0
109.10156	17.8
110.74674	0.9
110.97550	1.2
111.08065	1.4
115.05507	1.7
118.04117	1.1
119.08588	22.7
121.10147	3.5
123.08044	4.4
123.11730	5.2
131.08607	1.4
133.02853	1.2
133.06535	7.5
133.10133	100.0
135.11694	65.2
137.09604	3.5
145.10133	1.6
147.11664	4.6
160.12447	1.7
161.05998	10.6
175.14835	58.7
193.04958	3.6
193.08617	4.1
193.10503	3.2
193.12125	1.7
193.15898	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05513	9.3
57.07064	2.9
59.04990	2.3
67.05510	20.5
69.07052	6.1
70.02963	6.5
71.05009	2.0
74.29619	1.5
79.05502	9.1
81.07082	10.8
83.08614	2.2
84.85703	1.2
85.06545	19.2
91.05458	5.1
93.07046	15.6
95.04985	3.3
95.08607	12.6
97.06538	1.5
99.08095	100.0
101.20492	1.5
105.07026	10.8
107.08607	15.9
109.06499	4.5
109.09464	2.9
109.10157	36.7
111.08087	1.6
119.08577	12.8
121.10105	3.7
123.08062	5.6
123.11697	5.3
133.06525	2.9
133.10130	16.8
135.11693	22.2
137.09601	15.8
147.11684	2.5
149.02313	1.9
151.11179	6.3
151.14793	1.7
158.02785	1.8
161.05992	4.6
165.07005	20.9
165.16374	3.0
175.14870	8.9
176.94133	1.4
178.06456	1.7
178.07968	6.4
191.07330	1.3
192.08064	13.3
193.05121	7.5
193.06567	4.8
193.08841	26.9
193.10457	8.4
193.11993	2.3
193.15881	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
54.69222	0.6
55.05504	4.5
57.07064	2.7
67.05506	9.1
69.07072	10.4
70.06565	1.1
71.00832	1.9
71.04984	1.6
76.02222	1.0
79.05507	3.6
81.03401	1.3
81.07060	10.2
83.08626	3.6
85.06530	2.0
87.67405	0.8
89.38322	0.7
91.05486	14.9
93.07049	8.9
95.04950	2.1
95.08612	25.9
97.06551	1.2
99.08109	2.7
101.89498	0.8
103.05497	1.1
105.07034	22.5
107.04974	1.9
107.08598	12.9
109.06509	3.2
109.10161	24.2
110.97568	0.9
111.08086	1.2
115.05426	1.7
115.43064	0.8
117.07014	2.5
118.04206	0.9
119.04943	1.5
119.08588	52.7
121.10131	4.4
123.08091	2.1
123.11700	3.1
126.46240	0.7
129.06911	0.9
131.08563	2.1
133.02919	1.1
133.06519	5.9
133.10133	68.4
134.06018	1.8
135.11710	25.5
137.05978	2.6
137.09625	10.9
145.10135	3.5
146.10938	1.0
147.06808	1.2
147.11690	14.5
149.07935	1.4
149.13252	6.2
151.11168	1.5
151.14870	4.7
151.15852	0.9
158.02707	1.4
160.12482	3.2
161.05965	8.1
165.05673	1.5
165.06985	7.3
165.09166	1.0
173.13248	1.1
175.03871	1.2
175.14832	100.0
177.07463	2.8
178.02646	1.6
178.06540	0.8
178.08144	4.3
192.08112	3.5
193.04982	8.8
193.06662	1.9
193.08713	9.6
193.10551	22.1
193.12256	1.9
193.15874	23.8
193.17622	1.2
194.08076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
51.16139	1.1
53.03933	1.3
53.29473	1.1
55.01870	2.6
55.05267	1.9
55.05514	24.1
56.96542	1.2
57.07068	6.3
59.04990	3.4
65.03962	1.3
67.05508	13.2
69.03413	2.2
69.07079	11.3
69.41440	4.4
69.41860	5.6
71.05005	6.0
79.05502	9.4
81.03404	1.6
81.07063	16.2
82.22039	1.3
83.04987	59.5
83.08617	3.6
85.06551	9.8
91.05489	8.1
93.07040	20.7
95.04983	2.3
95.08612	32.3
97.06528	3.3
98.20661	2.2
99.08093	2.7
103.05476	1.2
103.66415	1.3
105.07040	22.8
107.08601	32.6
109.06509	5.8
109.10164	61.3
111.08060	2.0
115.05463	1.8
119.07800	2.0
119.08594	31.2
121.10159	13.0
123.08074	16.2
123.11720	11.9
125.09637	3.3
133.06516	6.0
133.10139	52.8
135.08096	1.2
135.11703	57.2
137.09637	16.2
138.10417	3.6
139.11160	1.3
147.11679	5.3
149.13245	4.8
151.11209	6.0
151.14830	18.9
160.12437	2.1
161.05977	8.6
165.16449	6.5
165.17625	1.1
175.14838	52.8
178.08176	1.8
193.05008	4.6
193.08632	6.2
193.10533	8.3
193.15891	100.0
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	beta-Ionone
Peak:m/z	Relative Intensity
53.03929	2.9
55.01856	3.0
55.05511	7.7
56.40628	0.9
56.96559	3.1
57.03420	2.9
57.07072	2.3
59.04979	1.2
65.03932	1.8
66.89627	0.8
67.05505	13.0
69.03415	3.1
69.05173	0.8
69.07072	14.3
70.06578	0.9
70.98065	0.7
71.05005	6.4
71.05342	1.4
76.02224	1.4
79.05067	0.9
79.05495	13.0
81.03420	15.6
81.07057	15.9
82.44028	0.9
83.04986	4.0
83.08627	6.0
85.06535	4.0
91.05480	16.5
93.06469	1.7
93.07045	23.3
95.04968	10.3
95.08612	22.5
97.02917	0.9
97.06533	4.8
98.21558	1.5
99.08099	11.4
103.05482	6.8
105.03398	1.2
105.07033	48.4
107.04939	2.7
107.08595	36.2
109.06513	9.0
109.10154	29.9
110.97567	1.2
111.08076	3.8
111.11779	1.3
115.05450	7.6
117.07011	2.0
118.04167	3.1
119.04953	2.8
119.08582	31.7
121.02867	0.9
121.06530	1.1
121.10129	9.6
123.04408	2.3
123.08083	7.9
123.11718	9.3
128.98573	1.9
129.07042	2.0
131.04922	1.9
131.08571	3.4
133.02850	4.6
133.06499	33.0
133.10132	100.0
135.08087	1.3
135.11694	68.2
137.05998	3.2
137.09587	9.0
138.10367	2.4
142.07910	0.9
143.06044	2.2
145.10123	1.5
146.99614	1.6
147.04407	1.8
147.08110	2.2
147.11662	8.3
149.02341	1.3
149.09583	1.4
149.13255	3.3
150.03094	1.3
151.03902	0.9
151.07465	1.6
151.11183	3.1
151.14847	2.5
157.10115	1.7
158.02779	1.7
161.02379	1.3
161.05983	35.5
161.09612	4.2
162.06586	0.9
165.05524	1.8
165.07010	1.7
165.09093	1.0
165.12761	1.2
165.16475	1.2
175.03998	0.9
175.07617	1.9
175.11246	3.0
175.14828	60.5
176.08347	2.1
177.07578	0.8
177.09126	0.9
178.02649	2.5
178.08139	3.3
193.04980	17.7
193.06740	2.3
193.08632	18.3
193.10544	13.6
193.12283	5.8
193.15901	34.5
193.17522	1.5
194.08115	1.2
194.15437	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.32566	1.0
55.01870	1.3
55.05305	1.1
55.05519	11.1
56.96547	2.1
57.07072	2.8
58.89059	1.0
59.04991	2.4
60.86895	1.0
61.83849	1.1
66.15589	1.0
67.05503	11.5
68.79569	0.9
69.07071	36.0
69.39522	8.7
71.04649	1.3
71.04993	16.4
79.05502	9.2
81.03405	2.2
81.07062	24.6
83.04967	1.8
83.08637	2.1
85.06541	9.4
91.05488	9.4
93.07054	26.9
95.04978	31.4
95.08614	21.3
97.06517	4.2
97.10168	9.7
98.21514	1.1
99.08079	7.1
105.07022	13.8
107.08608	33.1
109.06523	100.0
109.10159	17.1
110.97557	1.9
111.08087	5.9
111.11714	4.2
119.04921	1.2
119.08574	26.9
121.10147	10.2
121.37128	1.0
123.08068	7.6
123.10827	1.6
123.11708	27.4
128.98573	2.1
131.08585	1.2
133.02863	2.1
133.06566	2.2
133.10132	26.2
135.11697	37.6
137.09618	15.5
145.10147	1.3
146.99623	1.6
147.04327	1.3
147.11662	5.1
149.13272	13.2
151.11206	6.0
161.06015	2.2
169.99097	1.1
175.03938	1.8
175.13304	2.5
175.14835	45.8
178.02652	1.2
193.04997	13.8
193.06735	2.4
193.08737	2.1
193.10492	4.4
193.12248	2.9
193.15895	85.1
194.08133	2.8
194.11766	1.3
194.15472	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	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01888	2.4
55.05510	9.6
55.25455	0.6
56.96565	1.7
57.03439	1.3
57.07078	2.1
59.04997	1.6
63.98997	0.6
65.03953	1.5
67.05507	12.4
69.03419	3.2
69.07072	9.7
69.07420	1.1
70.06592	0.7
71.04992	6.1
71.57135	1.2
71.57500	0.8
76.02249	0.9
79.05502	9.8
81.03420	7.6
81.06588	1.0
81.07060	17.1
81.42687	0.6
83.04971	5.1
83.08608	4.1
85.02876	0.7
85.06560	5.0
91.05481	12.3
93.07047	19.5
95.04974	6.9
95.08605	21.7
97.06538	2.8
97.10185	1.0
99.08089	13.0
103.05470	5.8
105.07034	42.1
107.04969	1.7
107.08598	32.3
109.02882	0.7
109.06520	7.5
109.10162	34.2
110.97557	0.8
111.08096	4.1
113.09664	0.9
115.05460	6.8
117.07030	2.1
118.04197	3.2
119.04981	0.9
119.08587	34.0
121.10150	10.5
123.04473	1.1
123.08068	11.8
123.11710	8.5
128.98630	0.9
129.07095	0.8
131.04915	1.7
131.08588	2.0
133.02843	1.7
133.06506	25.8
133.10135	100.0
134.10468	1.3
135.04463	0.8
135.08089	1.5
135.11694	68.7
137.05981	2.2
137.09619	11.6
138.10448	3.1
143.06084	1.9
145.10162	2.4
147.04373	1.0
147.08110	1.3
147.11693	8.4
149.02390	1.1
149.06006	0.9
149.13251	5.2
149.62059	0.8
150.06754	0.7
151.11203	4.0
151.14801	1.9
157.10094	1.1
159.78192	0.7
160.05173	0.7
160.12468	0.9
161.05991	29.9
165.05504	0.8
165.06888	0.6
165.09152	1.9
165.12860	0.9
165.16386	0.9
173.13292	1.1
175.07542	1.3
175.14833	55.4
175.66933	0.7
176.08305	1.1
178.02545	1.1
178.08199	3.4
179.22285	0.7
193.04987	9.7
193.06891	1.1
193.08607	13.0
193.10522	7.3
193.12254	3.1
193.15881	41.6
199.35690	0.7
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
55.05515	9.6
57.07062	2.3
59.04990	3.6
67.05179	1.2
67.05512	18.4
69.03425	1.6
69.07072	6.6
69.41250	6.7
71.05004	1.1
74.97212	0.8
76.02219	2.9
79.05495	8.0
81.07067	9.2
83.04965	3.0
83.08599	2.1
85.06546	15.8
91.05491	4.6
93.07049	14.8
95.04956	2.6
95.08613	14.5
97.06544	0.9
98.20798	1.8
98.97601	1.1
99.08098	100.0
103.05483	1.0
105.07035	7.5
107.08604	16.3
107.09312	1.6
109.06499	3.5
109.10158	35.6
111.08038	0.9
118.56067	0.7
119.08583	10.0
121.10143	4.1
123.08098	6.2
123.11704	4.7
125.09551	1.0
133.06493	2.0
133.10153	14.2
135.11699	20.5
135.54651	0.9
137.09627	13.8
138.10399	1.3
147.11703	1.6
151.11172	4.0
158.02698	3.3
161.05978	2.7
165.07022	7.3
165.16414	3.1
174.03479	0.8
175.14804	6.5
178.08130	4.5
188.80217	0.8
193.04938	2.4
193.06544	2.0
193.08649	2.1
193.10548	13.4
193.12225	1.2
193.15894	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	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01869	2.4
55.05265	1.5
55.05517	24.0
56.96562	1.8
57.07079	9.1
59.04990	2.0
67.05509	15.4
69.03416	1.5
69.07066	10.7
71.04996	7.3
71.15360	2.6
79.05492	14.4
81.07065	24.1
83.04983	48.7
83.08601	4.4
85.06550	8.8
91.05476	10.3
93.07053	22.6
95.04955	1.8
95.08609	27.7
97.06539	4.1
97.10148	1.7
98.97595	21.0
99.08082	3.7
103.05463	1.8
105.07038	30.1
107.08602	38.0
109.06567	6.9
109.10165	51.7
110.97578	3.3
111.08070	2.6
111.53199	1.2
115.05489	3.5
116.98611	3.4
118.04115	2.0
119.04884	1.5
119.06083	1.2
119.08595	41.1
121.06528	1.3
121.10165	14.1
123.08073	15.3
123.11715	13.5
125.09650	2.4
131.08574	2.0
133.02765	2.4
133.05771	1.2
133.06523	13.8
133.10139	69.6
135.11703	75.9
137.06039	1.6
137.09627	15.9
138.10376	2.2
143.06026	1.8
147.11702	7.5
149.13239	5.5
150.03197	1.5
151.11188	4.5
151.14832	13.6
152.06065	1.4
158.99666	13.2
159.66762	1.5
161.05995	13.3
165.07045	2.9
165.12804	1.6
165.16388	5.5
170.06995	7.0
175.14832	64.8
176.38495	1.3
177.00696	6.3
178.08119	2.6
193.04950	9.8
193.06735	1.5
193.08653	9.1
193.10539	16.5
193.12206	2.0
193.15892	100.0
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	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03933	1.5
55.05513	9.4
56.96579	1.4
57.03428	2.4
57.07061	4.9
59.04992	2.1
65.03979	1.1
67.05505	16.8
69.03426	4.0
69.07069	14.4
69.44973	3.0
69.45385	4.9
71.04982	4.1
79.05499	8.8
81.03426	1.3
81.07053	16.8
83.04993	6.2
83.08620	5.4
85.06530	4.3
85.46684	1.1
91.05482	12.3
93.07044	22.2
94.06565	1.3
95.04959	2.6
95.08605	37.4
97.06537	2.3
97.10141	1.6
99.08109	6.1
103.05469	3.2
105.07033	35.4
107.08595	34.1
109.06509	6.0
109.10159	41.9
110.97549	1.8
111.08043	3.4
115.05447	5.1
117.07002	1.5
118.04171	1.8
119.08582	62.4
121.10151	12.8
123.08072	9.1
123.11716	5.2
127.52236	1.1
128.98587	1.7
130.06500	1.6
131.08528	3.0
131.41916	1.1
133.02863	2.8
133.06508	15.8
133.10133	83.6
135.11696	56.3
137.05986	1.7
137.09624	15.9
143.05988	1.3
145.10098	2.7
147.08083	1.5
147.11691	17.5
147.25520	1.0
148.07570	3.5
149.06009	1.2
149.13258	13.8
151.07549	1.8
151.11197	3.7
151.14839	5.8
160.12497	4.9
161.05965	17.6
165.05539	1.2
165.07043	2.9
165.09193	1.3
175.14836	100.0
176.15294	1.8
177.07513	1.3
178.08185	5.5
192.08066	1.4
193.04964	11.8
193.06653	2.2
193.08621	11.9
193.10539	16.0
193.12184	1.4
193.15891	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03932	1.0
55.01876	3.8
56.85873	0.5
56.96558	1.7
57.62082	0.6
59.05004	0.8
65.03926	1.0
66.04705	0.7
67.05508	5.8
69.07077	1.1
70.06595	0.9
70.83870	1.7
76.02221	1.1
79.05497	10.3
81.07062	1.9
89.03907	0.7
90.04685	1.1
91.05482	6.5
93.07067	0.9
95.04969	1.7
95.08629	0.8
96.83875	0.5
97.06520	2.1
97.14371	0.6
98.97590	5.8
103.05475	11.4
105.07035	83.5
107.04949	1.4
109.06533	0.6
109.10159	1.1
110.97546	0.6
115.05453	18.3
116.98596	1.1
118.04159	9.2
119.01794	0.6
119.04939	1.2
119.08588	1.2
121.06459	0.7
128.02327	1.7
128.98590	1.1
131.04898	3.8
133.06499	74.8
136.05229	0.7
136.07599	1.2
137.05969	3.4
143.04953	1.3
143.06061	6.9
147.04401	1.4
147.08047	0.7
147.11659	0.7
149.06039	1.0
150.04123	0.6
152.05931	0.7
153.08035	0.6
158.02675	0.8
158.99646	2.6
160.05040	0.8
161.05989	100.0
162.06644	0.8
165.07034	2.3
167.26854	0.5
175.07494	0.7
176.08337	5.6
176.58453	1.1
177.00613	1.0
178.08138	1.5
184.59677	1.7
192.08054	0.8
193.05009	5.3
193.06673	0.8
193.08641	15.2
193.10498	3.2
193.12207	1.1
193.15971	0.7
194.08112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.102
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
60.89980	0.2
65.70500	0.2
69.16095	0.2
69.46688	0.5
69.47105	1.4
146.06049	0.5
148.07582	1.9
149.08368	4.5
158.02635	0.3
176.07071	0.6
177.07863	44.3
178.08121	0.3
192.10202	100.0
193.10533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1018
Annotation	5-Methoxytryptophol
Peak:m/z	Relative Intensity
69.19352	0.2
69.19749	1.0
73.18118	0.1
74.52042	0.1
79.05487	0.1
91.05484	0.1
98.21494	0.3
105.07013	0.3
106.78790	0.1
118.06546	0.1
119.07343	0.2
121.06504	0.1
130.06493	0.1
131.07315	1.8
132.08052	0.1
133.06485	0.2
133.10219	0.1
134.06015	0.4
139.07567	0.1
146.05992	0.3
147.06778	0.5
148.05157	0.4
148.07571	8.8
149.08325	0.4
150.06737	1.0
159.06795	1.1
160.05072	0.3
160.07556	1.1
161.08392	0.4
162.05521	0.6
163.06291	2.9
165.06917	0.1
165.09160	0.8
174.05528	1.4
174.06909	0.2
174.61079	0.1
176.07071	15.3
177.07851	13.6
178.08170	0.2
184.44891	0.1
188.16159	0.1
192.10190	100.0
193.10530	1.2
195.53062	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	192.1384
Annotation	Phendimetrazine
Peak:m/z	Relative Intensity
51.06531	0.3
53.03942	1.1
55.05507	0.5
56.96565	1.3
57.03436	0.4
67.05514	0.6
69.07063	1.0
69.89044	2.0
71.08633	5.6
77.03912	0.5
79.05497	13.8
81.03395	0.4
81.07041	0.7
89.87231	0.4
91.05484	1.0
93.07060	1.1
95.04951	1.1
95.08601	0.6
96.08947	0.4
98.20816	0.4
98.97630	0.4
104.05012	0.5
105.03397	46.0
105.07028	0.9
107.05001	0.4
107.08602	0.4
118.06548	0.6
119.04928	0.9
119.08601	0.4
121.10219	0.4
122.06036	28.7
122.09669	0.5
128.98621	0.4
135.11707	0.4
136.12102	0.5
146.09657	0.4
146.99594	0.4
148.07625	0.6
149.08418	0.8
150.09227	0.5
157.07069	0.4
160.05049	2.5
161.05984	0.4
164.07082	0.7
177.04260	1.2
177.07858	7.0
192.06548	7.4
192.10213	20.5
192.13837	100.0
193.04993	1.1
193.14157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0768
Annotation	Carbendazim
Peak:m/z	Relative Intensity
56.96573	0.5
63.21218	0.2
65.03966	0.3
69.07066	0.3
69.86918	1.0
72.93803	0.2
79.58634	0.3
91.05489	2.7
98.97583	0.4
107.04897	0.2
115.87388	0.2
118.06561	1.0
119.04965	0.5
121.06501	0.3
132.04655	0.4
132.05582	2.3
132.95818	0.4
133.06390	0.7
134.06010	0.2
134.10461	0.3
135.05505	0.3
137.05994	1.0
146.06026	2.3
147.04457	0.5
148.07610	0.5
149.01218	0.5
149.08345	0.7
150.96906	0.5
160.05078	100.0
164.07114	0.3
165.07028	0.9
166.07373	0.4
174.13683	0.3
176.08434	0.4
177.07861	6.5
183.58862	0.3
190.07387	1.9
191.08316	3.4
191.97049	0.3
192.07526	25.7
192.09160	5.2
192.10440	11.2
192.13945	1.1
192.17471	0.5
199.69846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1019
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
52.75281	0.1
69.97405	0.4
69.97760	0.1
74.40441	0.1
84.80594	0.1
91.05503	0.1
91.18316	0.1
119.04978	0.2
120.08107	0.1
121.08851	0.1
131.04924	0.1
132.08073	0.1
137.06116	0.1
146.06023	0.2
148.07571	1.6
149.08376	5.5
151.07579	0.3
160.05072	1.3
160.07584	0.1
161.06091	0.1
163.07497	0.1
164.10692	0.2
176.07092	0.7
177.07863	46.9
178.08199	0.4
192.10204	100.0
193.10550	1.1
210.81354	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	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05509	14.5
56.96573	8.3
57.07076	19.1
57.93869	3.5
64.62318	3.0
67.05498	9.5
69.03429	9.2
69.07074	35.6
69.67895	11.7
69.68299	7.1
79.05488	17.9
81.07069	20.4
82.72132	3.4
83.04987	6.1
83.08619	13.3
88.84865	3.0
89.06033	3.2
91.05465	19.5
93.07058	42.0
95.08045	6.1
95.08614	73.0
97.10200	6.7
103.05471	8.0
105.07053	20.7
107.04954	9.8
107.08610	69.8
109.06516	7.9
109.10162	41.1
111.11703	4.3
112.38843	3.3
117.07059	5.2
119.08596	8.8
121.06553	9.4
121.10156	88.9
123.08067	7.5
123.11710	14.3
123.96006	3.9
131.04965	7.7
131.08524	18.1
132.96474	12.5
133.10089	15.9
135.04387	3.5
135.08069	11.3
135.11708	65.2
141.97021	10.3
144.47273	6.8
145.10132	12.8
147.08096	3.7
147.11697	8.6
149.09641	5.3
149.13239	18.0
153.47803	4.3
155.98021	4.2
158.10927	4.4
159.04453	10.2
161.09599	3.4
163.11191	23.6
163.14822	5.1
173.13234	19.3
177.07953	3.6
191.03400	7.2
191.05516	4.7
191.06944	17.0
191.08549	4.9
191.10730	11.4
191.14319	90.7
191.17967	100.0
192.06453	3.7
192.10204	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.70041	1.2
53.03934	2.0
55.05516	10.8
56.96571	5.7
57.07066	4.7
59.04995	1.1
65.03943	1.2
67.05180	1.1
67.05508	13.8
69.03418	2.0
69.07074	32.4
69.25741	9.9
71.04977	1.2
71.08619	1.6
72.08169	2.0
79.05492	15.4
81.07062	15.4
83.04994	1.7
83.08626	11.1
91.05486	9.8
93.02957	1.1
93.07054	37.9
95.04964	2.1
95.08613	46.3
97.06513	1.6
97.10193	7.2
98.97582	1.5
103.05478	3.8
105.03384	7.2
105.07045	7.6
105.94904	1.5
107.04931	4.1
107.07868	2.1
107.08605	45.9
109.06515	4.7
109.10165	48.2
114.95388	1.5
115.05499	1.3
116.57708	1.1
117.06968	1.5
119.08591	6.4
121.06484	3.6
121.10152	61.9
122.06027	3.7
123.08047	3.3
123.11720	12.0
123.95954	2.8
131.00229	1.5
131.04938	2.8
131.08566	8.2
132.96434	7.4
133.10143	11.8
135.08095	9.1
135.11703	62.2
135.46718	2.6
141.96999	8.2
143.08565	1.3
144.47244	6.1
145.06522	2.2
145.10120	5.3
147.11705	4.8
148.05196	1.2
149.01219	5.9
149.06044	1.4
149.08492	1.4
149.09659	3.1
149.13272	22.6
153.47784	5.7
155.98076	2.3
158.10959	3.4
159.04436	4.0
162.77679	1.0
163.07545	1.7
163.11209	2.2
163.14838	3.1
167.02118	1.1
173.13217	8.3
176.04817	1.1
177.07857	2.2
191.03484	2.2
191.05699	1.0
191.07091	10.4
191.08653	2.8
191.10686	5.1
191.14346	24.5
191.17963	100.0
192.06564	2.5
192.10251	5.2
192.13824	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.05317	0.3
53.03915	0.4
55.01878	3.4
55.05513	0.5
56.46591	0.4
66.14562	0.4
67.05508	0.6
69.03424	0.4
69.06731	0.8
69.07072	12.0
69.32704	1.0
69.33123	2.7
76.54474	0.6
77.03908	0.4
79.05482	1.1
81.07065	0.8
82.39041	0.4
83.04984	1.1
91.05495	3.2
93.07051	9.5
95.04986	0.7
95.08616	1.9
96.21108	0.4
97.06518	1.2
98.21611	0.7
105.07034	2.6
107.08602	7.4
109.10126	1.1
115.05354	0.5
117.07073	0.9
119.08581	1.8
121.06519	13.4
121.10146	6.4
123.08067	1.1
123.66406	0.4
131.08569	2.9
133.10149	5.1
135.08064	6.4
135.11673	1.9
137.09630	1.0
145.10132	1.8
147.11697	21.2
149.09660	3.0
149.13266	7.4
158.10919	1.3
161.09656	6.1
163.07458	0.4
163.11168	0.7
163.14824	1.5
173.11798	0.5
173.13277	8.2
176.11967	1.8
189.04161	0.4
191.14322	100.0
192.14639	0.6
204.41130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05317	0.3
53.03915	0.4
55.01878	3.4
55.05513	0.5
56.46591	0.4
66.14562	0.4
67.05508	0.6
69.03424	0.4
69.06731	0.8
69.07072	12.0
69.32704	1.0
69.33123	2.7
76.54474	0.6
77.03908	0.4
79.05482	1.1
81.07065	0.8
82.39041	0.4
83.04984	1.1
91.05495	3.2
93.07051	9.5
95.04986	0.7
95.08616	1.9
96.21108	0.4
97.06518	1.2
98.21611	0.7
105.07034	2.6
107.08602	7.4
109.10126	1.1
115.05354	0.5
117.07073	0.9
119.08581	1.8
121.06519	13.4
121.10146	6.4
123.08067	1.1
123.66406	0.4
131.08569	2.9
133.10149	5.1
135.08064	6.4
135.11673	1.9
137.09630	1.0
145.10132	1.8
147.11697	21.2
149.09660	3.0
149.13266	7.4
158.10919	1.3
161.09656	6.1
163.07458	0.4
163.11168	0.7
163.14824	1.5
173.11798	0.5
173.13277	8.2
176.11967	1.8
189.04161	0.4
191.14322	100.0
192.14639	0.6
204.41130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01862	3.7
55.05513	6.2
56.96563	3.7
57.07074	1.9
59.05005	2.4
65.03934	1.3
67.05512	10.1
69.03442	6.3
69.07071	10.5
71.05000	23.9
71.56782	1.2
72.08167	1.5
75.79378	1.0
79.05510	13.7
81.03442	1.6
81.07059	10.7
83.04987	5.7
83.08626	3.2
85.06569	8.5
91.05486	20.7
93.07057	20.1
95.04975	9.4
95.08065	1.4
95.08620	19.4
97.06544	18.1
97.10157	1.4
103.05462	9.3
105.07042	34.1
107.04948	3.5
107.08607	46.2
109.06531	19.5
109.10171	23.1
111.08070	6.0
112.99116	1.3
115.05474	3.4
117.07029	7.6
118.04178	3.0
119.04926	1.1
119.08592	17.8
121.06538	7.8
121.10155	44.9
123.08082	39.6
123.11714	6.6
129.07028	2.6
131.00125	1.6
131.04951	10.6
131.08586	38.6
132.96472	1.6
133.02849	1.1
133.10144	59.5
134.04903	3.2
135.08069	51.3
135.11732	7.5
135.46709	1.4
137.09604	1.4
141.96996	2.4
143.05403	7.1
143.08568	4.7
144.09363	1.9
144.47269	2.0
145.06474	1.6
145.10123	16.4
145.55727	1.1
147.11711	22.2
148.05174	5.0
149.01242	3.0
149.09636	8.9
149.13268	16.6
150.10426	1.4
152.05925	5.2
153.47794	1.5
158.10930	9.3
159.04506	2.6
159.08084	2.0
161.09648	1.4
163.07558	9.8
163.11188	2.2
163.14819	3.1
173.09714	1.6
173.13283	51.8
176.04651	3.4
176.12019	1.4
177.07918	2.6
190.07770	1.4
191.03484	2.0
191.07040	19.4
191.08687	4.5
191.10558	6.1
191.14325	100.0
191.17957	3.6
192.10201	7.5
214.76338	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01862	0.4
55.05513	1.5
57.07074	0.6
59.05005	0.4
61.18620	0.3
65.03938	0.3
67.05511	2.3
69.03428	1.3
69.07077	3.0
70.05199	1.4
71.04999	1.5
72.08173	1.5
74.31703	0.3
74.86562	0.3
79.05487	2.3
81.07058	2.9
83.04986	0.9
83.08652	1.5
85.06538	0.8
91.05493	4.4
93.07063	3.5
95.04978	4.0
95.08608	1.9
97.06559	1.7
103.05474	0.4
105.07038	9.0
107.04967	0.8
107.08601	6.1
109.05768	0.4
109.06525	4.2
109.10159	3.6
111.08070	0.4
111.70204	0.3
115.05441	0.8
116.06203	0.4
117.07033	1.2
119.08587	4.1
121.06496	1.1
121.10155	4.4
123.08065	1.8
123.11721	1.0
126.37092	0.3
129.07021	1.0
131.08585	9.2
133.06479	0.4
133.10143	26.0
135.08063	6.9
135.11703	0.9
143.08578	1.5
144.09346	0.7
145.10141	4.1
147.08095	0.3
147.11674	2.8
148.05197	0.6
149.09612	2.0
149.13283	5.0
150.10397	0.3
152.06226	0.4
158.10947	3.5
161.09677	0.4
163.07570	1.5
163.11220	1.0
163.14815	0.4
165.07010	4.0
171.11745	0.5
173.09608	0.4
173.13274	13.9
176.11853	0.3
177.07884	2.2
182.15198	0.3
184.72615	0.3
189.07018	11.1
190.07787	23.1
191.08578	100.0
191.14297	14.5
192.08279	1.7
192.10289	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	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01861	3.1
55.05511	2.0
67.05502	14.1
69.03406	5.6
69.07076	9.7
69.95120	4.3
71.04995	35.2
79.05504	9.3
81.07065	9.4
83.04959	2.6
83.08601	1.4
85.06535	15.0
91.05475	13.5
93.07056	15.0
95.04958	3.7
95.08603	8.5
97.06544	11.5
103.05501	1.9
105.07036	30.8
107.07864	2.4
107.08598	47.5
109.06520	15.0
109.10159	37.4
111.08081	4.4
115.05530	1.6
117.07046	3.1
119.06124	1.6
119.08588	11.6
121.06511	9.9
121.10151	56.0
123.08067	36.3
129.06985	3.9
131.08582	31.9
133.10133	28.8
135.07117	2.1
135.08063	31.0
135.11670	2.1
137.84557	1.6
143.08537	3.1
144.09381	2.2
145.10146	10.1
147.08032	1.7
147.11679	18.8
148.05220	1.9
149.09601	9.3
149.13268	10.1
158.10905	7.5
161.09625	1.9
163.07536	1.8
163.14781	1.8
170.34741	1.4
173.13272	40.9
176.04665	1.5
176.28824	1.5
178.33156	1.2
191.07057	4.4
191.14310	100.0
192.10165	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	190.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51199	33.6
53.94428	36.4
55.01874	43.4
57.03429	39.8
61.02916	70.8
70.84412	100.0
72.08188	91.8
73.02894	40.9
84.08149	84.8
97.02903	57.9
98.97557	48.2
101.00877	50.3
107.74550	40.4
115.02409	51.4
130.08644	44.9
143.01917	44.4
145.03424	79.7
172.09674	79.9
172.13336	60.5
190.10753	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.77791	1.4
53.03972	2.2
53.45665	1.6
55.05517	5.2
56.96568	3.8
57.03437	1.6
60.64348	1.4
66.59663	1.7
67.05513	8.5
69.03444	5.3
69.07085	10.3
69.38185	10.4
71.04981	7.9
72.08171	2.0
76.04337	1.7
77.03948	1.6
79.05504	7.9
81.07048	8.0
83.05001	3.2
83.08622	3.1
85.06537	2.8
90.95642	1.6
91.03788	1.5
91.05478	12.8
93.07046	12.4
95.04468	1.8
95.04959	9.1
95.08620	9.8
97.06547	6.5
103.05451	3.3
105.07034	33.6
107.04956	3.4
107.08602	23.6
109.06520	18.2
109.10159	19.9
115.05455	2.2
116.06303	1.5
117.07048	5.6
119.08588	27.9
119.09456	1.6
121.06529	5.2
121.10148	17.3
123.08046	7.3
123.11718	4.9
129.07088	3.6
131.00197	1.7
131.04968	3.7
131.08577	35.2
131.09509	2.3
133.10135	72.7
135.08063	23.4
135.11719	2.8
143.08592	6.7
144.09343	3.3
145.06479	3.4
145.10112	16.4
146.06006	3.3
147.11699	14.0
149.01303	2.2
149.05991	2.0
149.08401	4.7
149.09653	13.9
149.13258	14.5
158.10883	10.7
159.04387	3.6
160.05096	4.8
161.09723	1.8
162.06763	2.1
163.07582	2.6
163.14813	2.9
173.13272	53.4
177.07870	52.8
189.06989	2.1
190.07780	3.3
191.07018	4.6
191.08650	15.8
191.14308	49.7
192.10196	100.0
193.76602	1.7
202.08777	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05522	3.9
59.05001	1.7
67.05515	5.1
69.03418	3.7
69.07066	6.0
71.04980	3.3
77.28638	0.7
79.05494	3.9
81.07065	4.0
83.04961	3.1
83.08616	3.5
85.06540	1.9
91.05479	11.7
93.07052	6.8
93.57784	0.8
95.04977	4.1
95.08588	4.8
97.06516	5.3
98.20686	1.3
101.84425	0.7
103.05474	1.3
105.07031	22.6
107.04931	0.9
107.08596	15.9
109.06511	6.8
109.10154	6.4
115.05508	1.2
116.00867	0.8
117.07039	2.6
119.08595	10.3
121.06478	2.1
121.10142	10.7
123.08057	6.6
123.11713	2.4
123.25569	0.7
129.06993	2.2
130.07785	1.2
131.08569	22.3
133.10132	81.6
135.07098	1.1
135.08060	12.5
135.11697	0.7
143.08572	4.6
144.09351	1.9
145.10124	11.8
147.11687	7.1
148.05211	0.9
149.09630	3.4
149.13272	10.6
158.10875	8.3
163.07477	0.9
163.11226	1.5
163.14838	1.7
165.07002	4.3
171.11597	1.1
173.13261	39.2
177.07901	0.9
189.06995	11.8
190.07787	26.9
190.09512	1.7
191.08575	100.0
191.14304	45.7
192.08743	1.1
192.10312	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75741	0.9
65.55334	1.0
66.59795	0.9
69.03410	4.5
69.25108	10.1
79.05489	1.3
85.02850	1.2
91.05478	9.0
98.97574	1.8
105.07037	8.7
107.04937	2.5
107.08617	1.6
116.06184	1.2
116.98634	1.0
117.07007	3.6
119.08587	12.9
128.06186	3.4
129.03314	2.1
129.06990	2.9
130.07803	2.5
131.08586	5.4
133.06485	3.5
133.10121	4.2
135.04402	4.6
141.07005	7.2
141.35492	1.1
143.08588	5.9
144.09344	2.2
145.10130	19.0
147.04395	11.5
147.08035	3.8
147.11688	9.5
155.06049	1.3
155.08575	1.5
156.08061	2.3
156.09348	41.6
158.07237	1.6
158.99619	1.5
159.08051	3.7
159.11717	13.4
160.08807	1.2
161.13327	1.1
168.54160	1.8
171.11687	65.4
174.06744	1.5
174.10428	5.2
181.88730	1.2
189.05428	4.0
189.07028	3.5
189.09108	9.1
189.12746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34934	1.3
55.05486	2.6
58.06586	3.2
64.31982	1.0
69.03142	1.0
69.03434	12.4
69.07037	1.2
70.10315	4.8
72.08146	1.7
77.97319	1.3
79.01706	1.0
79.05498	2.2
81.03421	1.4
81.07034	1.3
83.05011	5.1
83.05391	1.2
85.02902	2.4
86.09663	1.0
91.05478	9.3
93.07075	1.2
98.21509	1.2
99.04417	1.5
103.05480	1.5
105.07045	9.1
106.96568	2.3
107.04965	2.7
107.08612	1.8
109.06532	1.2
111.04427	1.5
115.28535	1.2
117.06985	3.2
119.08578	14.0
128.06221	4.5
129.03377	10.8
129.05428	3.6
129.07013	3.3
130.07748	5.1
131.04922	1.5
131.08556	6.5
133.06525	5.4
133.10106	3.2
134.33629	1.3
135.04414	1.7
141.07001	7.1
142.07787	1.6
143.08551	7.2
144.09247	2.3
145.10112	18.7
146.10791	1.1
147.04443	6.4
147.06427	1.7
147.08043	6.1
147.11694	12.6
155.08499	2.1
156.08060	2.4
156.09349	44.6
159.08038	4.7
159.11699	14.3
160.05249	1.6
161.05945	3.8
161.09569	2.8
171.11693	62.8
172.12086	1.2
174.06735	1.5
174.10442	5.8
180.21819	1.1
189.05443	24.9
189.07101	7.1
189.09108	12.9
189.12737	100.0
190.13203	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
54.60274	0.2
56.96571	0.8
62.37817	0.2
71.26103	0.3
71.26417	0.3
80.54491	0.2
85.02909	0.3
91.05470	2.6
98.97606	0.5
103.05482	0.7
107.54610	0.2
115.05457	4.5
115.81023	0.2
117.05750	0.8
117.07021	3.4
118.06552	57.6
119.06939	0.6
132.08090	0.6
142.06531	5.0
143.07320	9.8
144.04459	0.7
144.08098	23.7
145.06451	0.3
145.08453	0.4
145.85373	0.2
146.06020	100.0
146.91795	0.3
147.06354	0.6
155.06041	0.6
160.07614	1.3
166.83499	0.2
170.06021	8.5
171.06435	0.3
176.05244	0.8
176.55389	0.3
188.07082	29.3
189.07382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05503	1.0
56.05038	1.9
56.96560	1.2
57.03431	1.2
59.05002	2.6
59.57717	0.3
60.04524	1.3
61.02644	0.6
61.02929	8.1
68.05051	0.6
69.03431	1.7
70.02953	1.6
70.26772	1.1
71.04991	1.3
71.55285	0.3
72.04568	0.5
75.04496	0.6
82.06570	2.8
83.04979	4.4
84.04503	100.0
85.02902	17.6
86.06066	0.6
87.04468	6.1
98.06036	0.6
100.07629	1.6
101.06105	0.4
105.07043	0.7
110.06039	3.1
111.04451	1.5
116.81381	0.4
126.05515	6.2
128.07076	6.7
129.03322	0.6
129.05482	1.7
131.67413	0.4
142.08641	0.4
146.08122	1.0
147.06523	0.4
170.08186	0.8
181.51265	0.4
188.09198	14.0
188.10677	0.5
189.05473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1281
Annotation	Hyacinthacine A6
Peak:m/z	Relative Intensity
50.38190	0.6
55.01869	1.1
55.05503	1.2
56.05058	0.6
56.96552	1.0
57.03415	1.2
60.99962	0.7
62.35263	0.7
69.03419	2.0
71.08631	15.1
71.56261	1.1
72.04516	6.2
72.08138	0.6
73.02904	1.1
79.87014	0.7
81.03383	0.9
82.02951	1.5
82.06580	1.8
83.04966	1.0
84.04507	6.1
85.02901	6.0
87.00852	1.2
88.11261	6.0
91.05505	1.3
93.07040	0.7
100.03985	37.9
101.02365	3.2
105.07009	2.3
109.86449	0.8
114.05540	1.9
117.69407	0.7
118.06557	1.2
128.07097	2.8
129.03371	1.6
131.08667	0.8
142.08635	1.6
142.12285	4.2
146.05983	1.5
146.08118	0.7
156.09235	0.8
161.50801	0.7
170.11771	100.0
171.12012	0.9
174.06763	2.2
188.07083	2.4
188.09160	2.2
188.10822	1.8
188.13034	3.3
188.14381	1.1
189.05460	4.2
189.07069	2.4
189.09109	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	189.0911
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.46228	0.7
55.05521	1.8
57.03437	3.2
61.02917	0.9
65.96544	0.6
67.05515	1.0
68.99802	3.1
69.03437	4.1
71.36230	1.1
79.05501	1.2
81.07089	0.8
83.04981	2.3
85.02911	24.3
87.00841	6.4
91.05489	19.0
93.07037	0.7
95.04980	1.3
95.08618	0.9
103.05494	2.4
105.03429	1.5
105.07033	7.4
106.96577	0.7
107.04951	6.6
111.00816	1.4
111.04417	0.9
115.05466	2.4
116.06277	0.7
117.07046	1.8
118.04146	5.6
119.04942	9.2
119.08536	3.7
121.06512	7.7
127.68468	0.7
128.06230	10.0
129.03378	10.0
129.05453	2.4
129.07021	26.3
130.07813	1.8
131.04939	6.6
131.08524	3.0
132.05757	1.0
133.02863	10.8
133.06500	2.8
133.10149	3.9
143.08589	0.7
144.05733	2.9
145.06499	2.7
145.10201	0.9
146.03658	1.1
146.07262	13.3
147.04434	1.2
147.08057	3.3
147.11710	1.9
148.05202	100.0
149.05598	0.8
155.06050	1.7
156.09341	1.1
157.06500	18.3
158.07327	0.9
159.04466	0.9
159.08057	2.5
161.06000	29.4
161.09630	44.5
171.02902	1.3
171.08080	0.7
171.11708	2.1
174.06781	9.3
189.05492	22.4
189.09122	52.8
189.12654	4.6
189.16365	3.1
190.06233	0.8
203.25003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
53.26447	0.3
70.71001	0.7
70.71375	0.9
71.36813	0.4
72.27207	0.3
84.04527	0.5
91.05477	2.9
91.11900	0.4
98.21521	0.4
115.05444	4.4
117.05762	1.0
117.07031	4.5
118.06550	57.2
119.06889	0.4
142.06526	5.0
143.07309	11.8
144.04457	0.9
144.08095	23.7
146.06018	100.0
154.67369	0.4
155.06073	1.1
160.07596	1.3
164.58594	0.4
170.06024	7.7
188.07079	28.1
207.71228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.29477	0.4
56.05036	2.8
56.96564	2.6
68.06358	0.3
68.99799	0.3
69.03425	0.9
69.93130	0.7
69.93545	1.3
72.08160	0.4
74.05659	0.7
74.06081	13.7
75.87260	0.3
78.21885	0.3
78.53728	0.3
79.05482	0.5
81.03427	0.5
82.06593	0.8
83.04987	0.5
84.04507	2.3
84.08149	0.4
85.02905	0.6
86.06077	0.5
87.04510	0.4
91.05486	5.6
93.07029	0.5
95.04965	0.3
98.21496	0.5
98.51768	0.3
98.97586	0.6
100.07612	0.5
103.05462	2.3
105.07022	1.2
107.05013	0.5
115.05453	4.4
117.05761	0.9
117.07026	3.9
118.06547	57.8
119.06038	0.4
119.06886	0.4
120.08109	5.2
121.02850	0.3
128.05045	0.6
128.07066	0.8
129.03397	0.7
131.04980	0.4
132.08041	0.4
133.06483	0.5
142.06529	5.0
142.08600	0.9
142.12416	0.4
143.07310	8.4
144.04410	1.2
144.08092	21.5
145.06425	0.7
146.06012	100.0
146.91830	0.8
147.04396	1.5
147.06352	1.1
155.06039	0.9
156.09372	0.6
160.07527	0.9
160.09706	0.6
161.05933	0.4
170.06010	8.2
170.08142	0.4
171.06262	0.4
171.11728	0.4
180.39746	0.4
188.07065	26.7
188.09029	0.9
188.10611	0.8
188.16431	0.6
189.05453	1.7
189.09090	0.6
189.12660	0.5
204.79758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82263	3.9
51.89214	4.4
53.03946	5.5
55.01860	7.5
55.05518	23.3
55.94617	5.8
56.05024	15.7
56.96569	89.2
57.03431	17.6
57.07052	4.4
58.06587	11.9
59.06879	4.3
60.04525	25.3
61.02917	17.9
67.05499	12.2
68.05021	9.8
69.03432	20.6
69.07063	8.7
70.06593	33.6
70.98129	20.4
71.01369	5.8
71.04997	11.3
71.06930	5.0
71.54734	5.2
71.55079	6.1
72.04516	10.5
72.08162	59.4
72.93776	6.8
73.02914	14.4
73.06541	13.2
74.06087	8.9
75.16822	4.5
77.00810	4.8
77.57776	4.0
79.05511	10.8
81.03404	9.1
81.07043	12.7
82.06580	25.5
83.04987	10.2
84.04514	46.1
84.08145	65.9
85.02919	27.5
85.06545	6.5
86.09707	25.7
87.00902	3.9
87.04461	6.2
87.05553	5.2
88.03966	13.3
95.04974	11.0
96.04486	9.7
97.02885	19.2
97.99158	5.5
98.01260	5.9
98.06064	11.3
98.97594	100.0
99.04455	11.1
100.07622	35.6
100.99133	9.1
101.00872	22.1
101.02377	9.6
102.00958	4.6
102.05517	7.0
103.02434	6.5
104.90800	4.6
105.02122	6.1
106.01006	6.1
107.04949	8.3
107.95728	4.2
109.01372	5.0
109.02872	10.1
109.06496	5.2
110.01307	4.3
110.02232	9.6
110.06055	8.2
110.75569	4.0
110.97559	12.9
111.04491	5.9
112.07587	4.8
112.11250	9.1
113.11546	4.6
113.96383	4.8
114.05514	30.9
114.09159	19.6
115.02455	7.1
115.03956	9.8
115.09498	5.8
116.02111	8.7
116.07059	12.3
116.97334	4.8
116.98624	32.9
117.00214	14.9
117.01891	19.6
118.01021	7.0
118.06549	6.1
119.01877	26.8
119.02622	7.8
120.02023	6.8
121.01640	9.8
121.06464	5.5
123.02889	6.7
124.07607	24.7
125.01816	4.2
125.02657	19.0
125.03470	4.8
126.00725	8.6
126.05505	8.3
127.01535	14.7
127.03894	6.1
128.02235	7.6
128.07082	57.9
128.98569	11.0
129.10246	14.5
130.03540	4.6
130.08632	17.5
131.01855	9.2
131.96135	5.4
132.95851	6.3
133.03410	14.2
134.99644	7.0
140.10716	7.8
141.05447	6.2
141.11079	21.1
142.03423	7.4
142.05075	24.5
142.08630	15.0
142.12305	11.1
143.00125	5.9
143.01875	6.7
145.03461	7.8
145.04805	4.8
146.01274	6.6
146.08073	5.8
146.91867	10.0
146.99640	10.4
147.11310	4.6
150.96893	4.3
152.07065	32.3
153.05467	5.8
155.04684	25.1
155.54849	38.4
156.04939	6.9
157.03313	7.2
158.03008	5.4
158.99626	19.2
159.53561	4.8
161.01154	5.7
161.02966	9.9
164.02293	5.1
164.55371	9.6
165.00749	11.7
166.02884	4.8
170.04526	7.1
170.06366	21.9
170.08128	34.5
170.11789	8.0
170.13686	15.5
171.14902	14.6
172.07497	6.1
175.00842	5.7
176.03981	9.3
177.00755	9.3
177.02344	4.9
188.03751	8.3
188.07533	7.0
188.09164	29.3
188.10733	13.3
188.12735	19.8
188.14435	4.5
188.17503	27.5
189.05734	5.3
190.98558	5.0
206.03282	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	185.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04325	15.6
56.85711	15.2
62.55920	14.0
68.14208	15.9
69.77588	37.2
69.78001	39.0
87.93169	17.6
101.00880	32.6
102.00939	31.6
119.01926	43.4
120.02025	100.0
120.15093	16.2
121.01741	17.7
127.54537	14.6
138.03108	21.5
143.03592	36.9
162.03062	20.6
180.04234	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	186.1125
Annotation	N-Isovaleryl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.03929	0.7
55.01868	1.6
55.05521	0.8
56.05040	1.3
56.96568	6.4
57.03431	1.7
57.07074	12.4
59.04987	0.5
60.04527	0.7
60.95845	0.8
60.98737	0.8
67.05498	1.2
68.05031	0.9
69.03432	2.5
69.07075	3.3
70.02952	0.5
70.06590	3.7
71.56502	0.7
72.04522	1.0
72.08160	1.6
72.93779	0.6
73.02903	1.1
74.06052	0.6
74.09719	2.7
78.99767	0.6
79.05511	0.6
80.05028	0.7
80.91724	0.5
81.03420	1.8
81.07056	0.8
82.94855	1.4
83.08612	0.6
84.04510	15.0
84.08149	11.4
84.96060	0.7
84.99606	0.5
85.02910	27.9
86.06109	0.7
87.04474	5.6
88.02228	0.6
91.05494	1.1
94.06549	0.7
95.01336	1.3
95.04975	1.1
95.08612	0.6
96.04501	0.7
97.02891	1.9
97.06504	1.1
98.06065	2.0
98.09643	0.6
98.97581	4.2
99.04474	1.3
101.00839	0.6
102.05549	11.0
102.96884	1.6
102.99747	0.9
103.00632	4.5
107.04948	4.6
108.04520	0.9
109.02873	1.1
110.97580	1.0
112.03973	1.8
112.07600	2.0
113.96400	0.9
114.05537	9.5
114.96864	0.6
116.07073	1.1
116.98611	2.1
119.01953	1.1
119.02873	1.3
120.02036	0.8
120.97886	0.7
121.00784	11.1
121.01682	19.0
122.06030	1.3
123.04430	0.7
123.97454	1.8
126.05540	7.5
126.06540	1.1
126.09213	0.6
126.12804	7.3
126.93827	0.6
127.03971	1.0
127.97975	0.7
128.02303	0.5
128.98575	1.1
130.05006	78.0
131.97342	0.6
134.99641	0.6
136.06157	1.3
137.02347	2.3
137.05910	0.6
139.01817	10.4
139.02740	4.3
140.07063	6.5
140.10701	0.9
143.03506	0.6
144.03262	4.1
144.06580	1.3
144.07681	3.4
145.00743	0.9
147.54384	0.6
153.56540	0.8
153.97913	0.5
158.08176	1.4
158.11778	2.3
158.99640	1.0
162.04312	1.1
162.27937	0.5
162.95786	0.7
163.01804	23.7
163.08101	0.9
163.58194	0.7
167.96417	1.1
168.06575	2.9
168.10219	1.4
169.07170	0.7
171.59367	0.7
174.03668	0.9
175.04428	0.9
181.02840	32.4
185.97543	1.2
186.03517	1.6
186.07788	7.2
186.11259	100.0
186.14758	7.4
186.18520	1.2
187.11534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
53.46368	0.6
56.05025	1.0
56.57096	0.6
56.96555	1.1
58.06590	0.7
60.08167	15.8
60.95134	0.6
60.95837	1.7
69.03395	0.7
69.79775	3.8
70.03760	1.6
70.06586	1.1
71.05026	0.7
71.07373	8.3
71.95260	2.1
78.74812	0.5
86.06071	0.9
86.09709	78.4
86.69184	0.7
96.04491	0.6
98.21637	0.6
98.98470	13.4
100.97224	0.8
101.00877	1.3
101.95036	61.9
101.97203	1.8
102.96873	3.2
104.10772	3.3
110.07004	0.6
118.98142	0.9
119.01939	3.4
119.96072	22.5
119.98132	1.3
119.98865	1.2
120.97890	2.6
124.07590	0.8
124.08513	0.6
125.00009	65.4
133.68922	0.7
137.96124	1.3
137.97095	12.3
137.99812	2.1
138.05444	0.6
138.98909	0.9
142.03490	1.3
142.97643	5.2
143.03586	0.7
155.98083	3.2
160.98709	9.1
161.04620	1.2
166.08566	1.1
178.99791	2.1
184.00345	1.6
184.07349	100.0
184.09886	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	184.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92310	0.7
54.26979	0.7
54.51354	0.7
56.05025	1.8
56.96558	2.1
60.07883	0.8
60.08170	14.7
60.95135	0.9
60.95842	1.6
69.03419	1.5
69.80927	3.7
70.03758	2.6
70.06577	0.7
71.07382	7.3
71.95271	1.8
78.81773	0.7
84.05287	0.8
86.06087	1.0
86.09711	81.0
98.06011	0.9
98.98478	12.5
101.00886	1.8
101.95040	79.5
101.97189	2.1
102.96873	4.1
104.10744	3.0
119.01963	3.9
119.96076	31.0
119.98116	1.4
119.98852	1.8
119.99531	0.9
120.97915	2.1
125.00015	61.6
137.97112	19.4
137.99814	3.0
138.98978	2.2
142.03484	1.4
142.97655	6.0
143.03717	1.1
155.98192	4.3
160.98729	12.3
161.02977	1.1
161.04688	1.7
166.08716	1.3
178.99806	4.4
184.00368	2.0
184.07358	100.0
184.09886	2.8
185.07755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.102
Annotation	beta-PHENYL-gamma-Aminobutyric Acid
Peak:m/z	Relative Intensity
61.25122	0.7
69.17191	0.8
69.86186	3.2
69.86593	1.8
91.05486	4.9
98.97594	2.8
103.05470	1.2
105.07043	1.0
107.04945	1.2
113.52302	0.7
115.05466	7.9
117.07031	56.9
119.04954	1.7
130.93616	0.8
135.04440	1.8
135.07994	1.9
137.05994	12.7
145.06497	89.2
146.06833	0.9
151.06372	1.3
151.07530	5.5
155.06073	1.6
163.07556	100.0
180.10211	99.4
181.10553	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	181.9619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11531	15.9
61.02925	20.3
70.33144	40.5
70.33524	28.0
73.02919	30.4
75.78677	14.2
85.02890	18.3
94.93007	31.5
98.97575	47.3
99.97923	22.1
116.98615	27.5
117.99030	31.0
119.01891	21.8
136.00067	28.4
136.07590	42.5
142.03476	23.9
143.01962	16.6
151.95100	21.0
155.01891	17.1
173.03127	17.6
175.92693	17.9
181.96227	100.0
182.08160	93.2
203.54132	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	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78275	0.3
52.70920	0.3
70.00479	0.4
70.00809	1.2
82.99846	6.4
101.00886	54.4
102.00958	0.5
111.00452	0.4
119.01923	100.0
120.02042	1.0
121.02342	0.8
124.02477	4.5
136.54419	0.3
137.02959	15.6
142.03502	26.1
143.01942	0.8
143.03619	1.0
160.04567	3.7
161.02963	14.1
161.04340	0.7
162.03073	0.5
165.05113	0.6
179.04018	11.3
189.49333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.6
69.86579	1.7
69.86975	0.7
70.06625	0.4
70.98068	0.5
73.02908	0.5
75.73226	0.3
80.94943	0.7
82.01450	0.5
82.99847	6.3
85.02895	0.6
91.05469	0.3
97.02855	0.5
98.97598	0.5
100.02512	0.5
101.00890	52.7
102.00978	0.6
103.00647	0.4
110.97517	0.5
112.61210	0.3
117.04044	0.3
118.03487	0.4
119.01929	100.0
120.01982	1.8
121.97565	0.9
124.01069	0.3
124.02452	4.7
124.93909	0.4
133.01653	0.7
133.03465	0.6
137.02968	15.9
142.03505	28.4
142.44556	0.4
143.01898	1.5
143.03619	1.4
150.01796	0.6
151.02710	0.4
160.04565	3.8
161.02971	17.6
165.05156	0.5
165.96629	0.6
166.05051	0.4
175.04689	0.4
179.04027	15.2
184.04616	0.6
189.77803	0.3
192.27892	0.3
195.19537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54326	0.5
56.96555	0.7
58.26666	0.5
59.14529	0.5
67.93477	0.5
69.88445	1.4
69.88866	0.9
70.17815	0.5
73.06583	0.4
74.30618	0.5
82.01424	0.8
82.99849	4.2
85.01376	0.6
88.39112	0.5
91.05496	0.6
93.07056	0.4
98.21393	0.8
98.97578	1.3
100.02467	2.9
100.97156	0.7
101.00883	43.1
102.00978	0.5
105.07025	0.7
115.01216	1.0
115.02438	4.6
118.03517	0.9
119.01923	100.0
120.02013	1.7
122.03741	0.5
124.02473	0.5
124.96962	0.5
133.01671	1.9
133.03464	11.1
133.06543	0.8
137.02957	18.4
137.04034	0.9
138.02986	0.5
138.03966	1.1
142.03499	1.4
143.01906	1.4
147.04416	1.3
151.04562	2.5
156.03183	1.2
156.05064	7.5
161.02959	34.4
162.03018	0.7
162.09103	0.5
174.06107	1.3
179.04021	34.2
180.04073	0.6
181.04236	0.5
184.04573	1.1
199.30545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93495	0.6
56.29613	0.6
56.38422	0.8
56.96569	1.2
69.03417	0.8
69.88324	3.5
87.59551	0.7
91.05481	4.2
93.07040	0.7
98.20754	0.8
98.97578	6.7
105.07049	1.0
107.04943	1.4
108.04465	0.9
115.05482	7.8
116.98606	2.7
117.07024	52.4
119.04977	0.9
120.08051	0.7
134.05991	0.9
134.09584	0.9
135.04416	2.6
135.08076	2.9
137.05983	8.5
145.06491	67.4
150.96693	0.7
151.07607	3.3
155.06020	1.3
162.09221	2.2
163.07552	100.0
164.07831	0.8
168.73328	0.6
180.10207	97.5
181.10515	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0861
Annotation	Methyl indoline-6-carboxylate
Peak:m/z	Relative Intensity
54.20518	0.1
54.29840	0.1
69.25530	0.9
69.25871	0.1
89.20083	0.1
91.05477	0.5
98.15648	0.1
107.07343	0.2
118.06549	0.2
119.04947	0.7
131.52478	0.1
134.06027	0.8
135.06802	3.5
136.05183	0.3
136.07515	0.1
146.05971	0.2
150.09128	0.1
151.07542	1.1
162.05545	0.2
163.06290	42.6
164.06769	0.2
178.08638	100.0
179.08992	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	4-(Diethylamino)benzaldehyde
Peak:m/z	Relative Intensity
53.72266	0.3
55.01848	0.3
56.96569	2.8
57.03426	0.3
61.02928	0.4
67.05492	0.3
69.03426	0.4
69.86012	0.6
69.86425	0.9
73.02932	0.4
79.05499	0.6
80.05001	0.3
81.07076	0.4
85.02882	0.4
91.05479	3.2
92.05007	0.5
93.05766	0.4
93.07043	0.5
95.87066	0.3
97.02885	1.1
98.21537	0.4
98.97588	3.2
99.97892	0.4
105.07030	0.4
106.06581	0.3
107.04953	1.6
107.08588	0.3
108.05296	0.9
110.97612	0.7
115.05492	0.5
116.98613	1.1
117.07014	1.1
118.06541	6.3
119.04948	1.2
119.07323	7.8
128.72264	0.3
128.98590	0.5
132.08067	0.9
134.09654	49.9
137.05988	3.2
138.06291	0.4
143.03604	0.3
150.09207	0.4
158.99670	0.7
160.07487	0.4
160.11201	0.7
161.01402	0.3
162.09131	1.8
163.06287	1.3
163.09952	1.1
178.08838	6.4
178.12271	100.0
179.12625	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1436
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
53.51562	0.2
54.97830	0.2
55.05489	0.5
56.96563	0.4
64.60154	0.2
67.05484	0.6
69.07069	1.1
77.94000	0.2
79.05468	0.6
80.39777	0.2
81.07032	0.6
82.07381	0.2
83.08611	0.5
89.03918	0.4
91.05463	0.8
92.05817	0.3
93.07033	1.1
95.08608	1.2
96.08981	0.2
98.21461	0.4
98.97556	0.3
98.98438	0.4
105.07005	0.8
106.06585	0.3
106.07343	0.7
107.08582	1.4
109.10110	0.6
116.98604	0.3
117.03368	0.5
117.05688	0.3
118.06544	20.5
119.07262	0.6
119.08584	1.0
120.08072	0.5
120.08899	1.9
121.10159	2.0
129.84415	0.2
130.06502	0.6
131.08534	0.2
132.08089	7.0
133.05223	1.1
133.08856	3.2
133.10100	0.6
134.09599	1.0
134.10458	2.5
134.63016	0.2
135.11681	0.5
145.02812	0.7
146.09645	6.1
147.10440	0.7
148.12071	0.3
160.11209	0.8
161.04713	2.5
161.11945	0.3
168.73834	0.2
176.07072	10.2
176.14326	100.0
177.05424	0.5
177.14688	1.4
177.16353	1.6
180.71902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.01880	0.5
55.05510	0.5
56.25045	0.5
56.96572	1.7
58.99577	0.7
63.02385	0.7
65.03949	0.8
69.07078	0.6
70.68974	0.7
70.69291	0.7
72.08173	1.5
78.04729	2.5
78.60330	0.5
79.05479	1.1
79.70412	0.6
81.07085	0.7
86.08459	0.5
89.03928	36.5
91.05497	3.9
93.07043	1.1
95.04975	0.7
98.97594	5.0
98.98483	2.3
103.05492	1.8
106.04188	2.5
107.04995	0.5
107.08601	0.9
116.98663	2.9
117.03394	69.2
117.07005	0.8
118.03666	0.7
119.04971	0.7
120.08125	0.6
121.06514	1.0
121.10157	1.3
124.05190	0.7
131.04947	0.6
131.08607	1.6
133.10083	0.5
134.03645	7.4
134.99684	1.2
135.04457	5.5
145.02864	100.0
146.03200	1.3
148.07582	8.9
149.02386	1.2
149.06001	25.7
149.08388	11.1
159.08105	0.6
160.28882	0.5
162.03148	2.8
162.05408	0.5
163.03957	2.4
163.06294	4.0
176.07027	1.5
177.05490	38.4
177.07851	29.0
177.09085	1.5
177.12685	1.0
178.08664	13.1
186.05493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.83800	0.5
53.03928	0.5
55.01868	0.5
56.96562	2.3
57.07069	1.3
57.80599	0.6
58.99588	1.2
63.02380	1.3
65.03936	0.9
71.56149	1.0
72.08160	0.9
78.04709	1.3
79.05495	1.1
82.76144	0.5
85.06541	0.7
89.03919	33.0
90.01846	0.5
91.05470	3.8
93.07036	0.6
95.08611	0.6
96.08144	1.0
97.12244	0.4
98.97589	4.3
98.98471	1.8
103.05473	1.7
105.06991	0.5
106.04182	3.3
107.04963	0.6
109.99155	0.5
116.98634	2.0
117.03383	64.5
121.06490	1.2
121.10124	1.2
128.00182	1.0
129.47928	0.5
130.99048	0.5
131.01924	0.6
131.08578	1.0
134.03622	8.3
134.99684	0.7
135.04442	3.5
135.53545	0.6
143.00134	0.6
145.02849	100.0
146.03171	1.0
148.07588	1.3
149.02371	1.0
149.05983	22.0
149.08354	1.8
153.54675	1.9
159.08012	0.6
161.01256	0.7
162.03122	1.6
162.05325	0.7
163.03885	2.0
163.06300	3.3
170.18155	0.5
176.07071	0.8
177.05481	36.3
177.07803	8.3
177.09187	0.8
177.12633	0.7
178.08618	7.7
186.05502	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
52.70786	0.5
53.03950	0.8
53.35364	0.6
54.36884	0.5
55.05513	6.1
63.26931	0.5
67.05498	1.8
69.07074	20.0
70.03880	2.5
70.04218	0.8
79.05486	2.4
81.07060	5.0
83.08630	3.5
90.32720	0.5
91.05479	6.9
93.07027	3.0
95.08620	4.5
96.07466	0.7
98.21397	1.1
100.90990	0.6
105.07037	18.2
107.08627	4.4
117.07018	2.4
119.08589	74.6
121.10159	3.3
131.08543	3.2
133.10139	65.4
135.11674	0.7
140.55760	0.6
145.10147	5.5
146.11018	0.6
147.11691	9.4
160.12476	3.2
160.22272	0.7
173.13292	1.8
175.14839	100.0
176.15193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.51180	0.4
55.05505	2.2
67.05522	0.4
67.56464	0.5
69.07076	4.8
70.86060	1.0
70.86404	0.6
79.05502	1.1
81.07055	5.1
91.05496	2.9
91.05985	0.6
93.07043	1.7
95.08605	3.5
105.07042	10.3
107.08594	1.8
117.07034	0.9
119.08585	22.6
121.10156	0.8
131.08572	1.8
133.10136	100.0
134.10501	1.5
138.46907	0.5
145.10135	2.1
147.11707	5.9
156.44345	0.4
160.12459	1.5
161.70224	0.5
173.13316	0.7
175.07538	0.6
175.14838	41.1
176.15178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.7
57.07067	0.9
58.64707	1.0
67.05495	2.6
69.07069	21.1
69.68021	2.0
69.68435	3.2
78.81920	0.8
79.05486	3.5
81.07050	8.7
83.08611	5.3
84.40535	0.8
88.93346	0.8
91.05487	9.6
93.07039	3.8
95.08595	5.5
98.98462	3.7
103.05446	1.1
104.82114	1.0
105.07032	30.1
106.68809	1.0
107.08606	7.5
115.05447	3.7
117.06978	3.1
119.08585	85.9
121.10143	2.9
129.07034	1.2
131.08575	3.9
132.09309	1.2
133.10133	70.3
134.10431	1.0
143.04903	2.2
145.10143	4.5
147.04437	1.5
147.11694	10.6
160.05196	1.5
160.12483	3.0
173.13274	2.4
175.07588	2.4
175.14827	100.0
176.07066	2.1
176.15163	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22562	0.5
55.05515	4.9
56.05610	0.6
57.07073	0.7
61.56791	0.6
67.05520	1.5
67.61487	0.6
69.06724	1.1
69.07077	16.9
70.49243	0.6
70.95495	1.8
74.84640	0.7
75.11457	0.6
79.05499	2.3
81.07059	6.7
83.08627	2.9
91.05484	7.4
93.07060	3.5
95.08621	6.3
96.09518	0.6
98.98470	2.6
100.55254	0.6
105.07037	21.7
107.08613	3.9
115.05457	1.9
117.07011	2.0
118.07816	0.8
119.05024	0.8
119.08591	67.8
121.10159	1.7
126.75060	0.9
131.08569	3.4
133.10139	100.0
134.10463	0.9
142.84229	0.8
145.10110	4.7
146.10876	1.0
147.11688	10.2
160.05211	0.8
160.12447	3.0
173.13249	1.8
175.07605	3.1
175.14838	95.9
176.15199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.112
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01875	3.7
55.05506	8.8
55.34108	2.1
56.96302	3.0
56.96574	69.5
57.03442	100.0
57.07074	3.8
63.23691	1.9
67.05499	7.0
69.03425	8.6
69.07065	7.9
70.06596	2.8
70.98102	2.1
71.56869	4.2
71.95223	1.9
74.93158	5.6
79.05479	5.7
81.03461	2.0
81.07043	8.7
83.04984	5.9
83.08624	3.1
84.96009	2.2
85.02900	6.1
87.04450	3.6
88.02271	2.6
90.01555	5.1
91.05489	30.6
92.90067	3.5
93.07056	5.9
95.04969	3.6
95.08610	4.2
97.02308	3.5
97.02890	10.4
97.10193	3.0
98.03681	4.2
98.98476	91.8
98.99127	4.4
101.02532	2.3
101.52359	2.6
101.83252	1.9
103.02350	4.4
105.07040	17.9
107.04957	3.2
107.08594	5.0
108.03316	2.6
111.04454	3.8
115.03970	3.2
115.05452	2.2
117.07028	6.3
119.08597	75.4
120.05128	3.1
122.04927	3.4
125.02346	3.7
125.04372	3.2
127.03913	3.6
129.05669	3.7
129.06993	6.1
131.08569	3.5
133.06421	2.6
133.10130	22.0
133.92836	4.2
134.04918	12.5
139.03848	3.9
140.56496	3.4
142.07761	4.5
143.00166	4.8
143.03291	2.7
143.05440	25.9
145.10127	2.6
145.55649	4.4
147.04466	12.7
147.08070	5.0
147.11687	9.1
151.93961	6.2
152.05966	33.0
154.56209	2.7
157.10158	7.7
160.05199	3.2
161.01208	3.9
161.04692	3.8
163.56764	8.3
174.95540	2.8
175.03990	3.0
175.06038	4.4
175.07420	14.2
175.11191	56.2
175.13257	4.2
175.14781	28.7
176.07066	13.4
179.03757	3.4
183.03290	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	D-Arginine
Peak:m/z	Relative Intensity
53.27331	0.4
53.58675	0.6
55.01873	0.6
55.05510	0.9
56.96574	1.2
57.03442	0.8
58.06603	0.8
60.04517	0.7
60.05654	40.5
61.02927	1.0
67.15741	0.5
68.05019	0.5
69.03433	1.6
70.06599	100.0
71.04994	2.2
71.11819	0.6
72.08163	15.6
72.51810	0.5
79.66267	0.5
81.03458	0.6
83.06940	0.7
84.08167	2.6
85.01420	1.1
85.02890	1.3
91.05483	1.4
97.02898	1.8
97.07676	0.6
98.06039	2.1
98.97589	0.6
98.98477	1.9
101.00880	1.8
101.02402	0.7
103.02474	1.3
112.07622	3.1
112.08749	4.3
113.07156	0.5
114.05518	1.4
114.09178	2.5
114.10306	0.7
115.02435	0.8
115.05894	3.8
115.08720	1.3
116.03413	0.7
116.07101	33.8
116.30191	0.5
118.08672	0.6
119.01939	4.8
120.03509	0.6
127.03951	0.6
128.07146	0.5
129.07411	1.1
129.10255	1.2
130.08775	0.8
130.09773	13.7
131.01859	0.6
133.03476	5.0
133.10080	0.6
135.03189	0.5
137.02954	0.6
139.03801	0.7
145.03491	1.2
147.04420	1.2
151.04544	1.1
157.03450	1.1
157.10928	1.6
158.08105	1.3
158.09276	10.1
159.07637	0.6
161.03075	1.2
174.99008	0.6
175.04579	6.8
175.07620	0.8
175.11932	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	175.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05515	6.5
57.07076	1.9
65.03934	0.8
66.86260	0.6
67.05511	3.1
67.66151	0.6
69.07074	14.1
69.74788	2.5
79.05491	5.6
81.07064	34.4
83.08630	3.1
91.05483	15.2
93.07047	8.7
95.08617	23.1
97.02886	0.9
98.20809	0.8
98.98472	2.5
103.05480	0.9
105.07039	41.9
107.08598	11.2
109.10164	1.1
112.84924	0.7
115.05499	0.7
115.25658	0.7
117.07021	4.8
119.08591	89.3
121.10156	1.7
131.08589	7.9
132.09340	1.4
133.10139	74.0
134.10359	0.6
145.10130	3.8
146.10915	2.2
147.04396	1.0
147.11702	11.2
160.05174	1.0
160.12489	2.5
173.13269	1.7
175.07561	1.8
175.14838	100.0
176.15247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03946	0.7
54.26612	0.6
55.01873	5.7
55.05513	4.2
55.25649	0.4
55.45235	0.4
56.96571	4.8
57.03449	0.6
65.03944	22.0
67.05510	2.9
68.99801	7.1
69.03421	1.8
69.07058	0.9
69.64487	2.3
69.90633	0.4
70.94254	1.5
71.01360	1.0
71.04984	0.5
72.04513	3.8
79.01861	0.7
79.05505	3.2
81.03421	3.5
81.07062	0.7
82.51569	0.7
83.01348	0.6
83.04987	12.6
83.08611	0.9
84.08152	0.7
85.02914	0.6
88.02731	0.6
88.95304	1.0
89.06670	0.5
89.07153	3.1
91.52123	0.6
93.03410	9.2
93.07033	0.8
95.01629	1.6
95.04997	2.5
96.02103	1.1
97.02883	1.4
97.06574	0.7
98.21464	0.9
98.97578	1.8
99.02989	0.5
101.00863	1.3
104.02158	1.7
107.04978	4.1
107.08608	0.8
109.02921	0.7
109.53880	0.8
110.01282	0.8
110.97543	0.9
111.04448	70.1
115.02328	0.5
116.02180	2.1
116.98611	0.6
118.01903	1.6
118.54411	0.6
119.01873	1.7
119.51485	0.6
121.02895	1.6
121.03982	8.3
121.52103	0.6
124.54426	0.5
125.02650	4.1
125.05975	1.3
127.02380	0.4
127.03909	0.7
128.00208	0.9
128.98573	1.1
129.53596	3.2
130.52594	0.9
135.04369	0.4
138.54144	4.9
139.00349	2.4
139.03908	100.0
140.04321	0.6
143.08588	0.6
146.01224	1.1
147.54669	5.4
147.96542	0.5
148.02890	0.6
148.04845	0.6
148.97697	0.5
153.01788	1.3
153.05463	1.1
157.01335	1.2
161.02951	0.5
164.02325	0.8
165.97688	0.6
171.02908	0.6
171.06541	7.4
171.14876	2.6
186.04419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
55.05519	1.0
56.05042	10.3
56.96555	0.6
57.03436	0.3
61.60565	0.3
67.05501	0.5
69.07069	0.7
69.28916	0.3
70.06609	0.6
70.13321	1.3
71.08640	16.5
72.04529	2.4
72.08153	0.5
74.63268	0.3
79.05493	0.5
81.03426	0.3
81.07057	0.4
83.05003	0.8
83.06129	0.8
83.08636	1.2
84.04512	100.0
85.04866	0.3
88.11277	83.3
89.07161	1.6
89.11597	0.3
91.05461	0.4
97.06554	0.3
97.10171	0.3
98.06067	5.0
98.21291	0.6
98.97598	0.4
107.08566	0.7
109.10177	0.4
110.01278	0.5
111.04469	1.2
116.98535	0.3
125.05919	0.5
128.02312	0.4
137.02875	0.3
139.00394	0.3
139.03952	0.6
153.13847	0.8
154.12361	0.7
156.09390	0.4
159.72430	0.3
171.06595	0.4
171.10152	0.4
171.11679	0.5
171.14940	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	174.149
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
52.02183	0.7
55.01873	2.9
55.05265	1.1
55.05513	13.2
55.82953	0.6
57.07067	2.2
62.48884	0.7
67.05503	3.9
67.52839	0.7
69.07070	28.5
69.22419	7.4
72.93779	0.9
79.05488	4.3
81.07067	7.6
83.04987	2.8
83.08634	1.0
83.38656	0.6
91.05459	1.2
93.07048	11.6
95.08604	6.4
97.06548	5.0
97.10172	9.3
99.89812	0.8
111.11713	2.1
111.98449	1.6
121.10154	7.9
131.85017	0.7
132.95825	3.2
138.12804	1.6
139.11185	6.2
150.96899	2.9
155.97401	2.2
156.13844	100.0
157.14203	1.4
173.98430	0.7
174.14903	37.4
174.16443	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	168.052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29454	2.8
52.55895	3.1
56.96556	4.5
57.03444	16.5
58.99874	3.9
60.04524	4.1
69.03414	8.2
69.99648	18.0
70.01462	3.4
71.48846	3.0
71.67818	3.1
73.02918	7.6
81.03413	13.1
82.01465	5.8
82.94847	9.7
82.99837	5.2
84.99595	5.1
85.02901	5.7
85.99919	6.1
86.03676	17.6
96.02976	13.7
98.21594	4.4
98.97595	5.5
100.00068	4.0
100.02520	5.7
101.00896	17.9
102.00046	3.4
103.00635	45.7
103.01276	5.6
104.00934	19.0
109.02865	6.1
115.02442	8.3
115.03783	6.9
116.98594	4.1
118.03517	3.7
119.01913	9.4
120.52199	6.1
121.01669	79.4
121.02451	7.0
122.01966	27.5
123.97455	9.9
124.02400	3.8
126.02155	4.5
127.02471	13.5
129.52661	7.2
130.03604	3.6
131.01907	6.8
133.03458	8.5
136.04462	4.1
138.53220	13.1
139.02663	11.8
140.03032	9.1
143.01857	5.0
144.03259	52.8
144.05075	4.6
144.94820	7.1
145.03564	100.0
145.53952	6.6
147.03975	9.5
147.53738	24.6
148.15230	3.4
150.03976	4.2
154.54482	5.1
157.03474	12.5
159.04521	5.5
161.02956	4.5
162.04303	9.8
162.95879	4.6
162.99005	4.2
163.04645	14.5
168.05089	16.4
169.58809	3.5
170.06639	5.4
173.04066	6.2
174.03992	5.1
185.02953	12.4
185.97552	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	171.0169
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66928	100.0
70.67268	51.9
71.31062	46.6
81.63136	41.4
82.09414	44.9
112.89616	42.1
119.01836	54.7
138.02858	50.8
171.01601	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	166.0864
Annotation	Benzocaine
Peak:m/z	Relative Intensity
50.51860	0.5
56.67366	0.5
56.96576	0.6
59.63355	0.6
65.92616	0.7
70.77152	1.4
80.94963	1.8
83.99935	0.9
91.05489	3.8
93.07033	1.7
95.04945	0.7
95.08567	0.5
101.00885	3.1
102.00948	6.2
103.00620	1.7
103.05463	3.8
119.01931	3.5
119.04947	2.4
120.02015	8.0
120.08103	3.3
121.01662	1.5
121.06512	31.0
121.97573	1.7
123.04443	7.1
124.93922	1.2
125.02562	2.0
126.02198	0.6
131.04929	6.5
137.05983	43.4
138.03073	1.3
138.06296	0.8
142.03490	1.9
142.94963	0.6
143.01944	0.5
143.03618	9.6
144.03227	1.9
147.04999	0.6
148.07547	2.2
149.05989	31.2
151.06303	0.6
160.95940	0.8
161.03027	0.5
161.04688	1.4
166.08643	100.0
167.08995	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
52.16308	0.2
55.33633	0.2
57.37843	0.2
60.08834	0.2
70.84589	0.4
78.11530	0.2
79.05488	0.9
83.07622	0.2
85.47708	0.2
91.05461	0.8
93.07043	1.8
103.05476	8.3
107.04961	2.1
107.81591	0.2
111.68871	0.2
120.08113	100.0
121.06492	0.4
121.08459	1.1
131.04939	2.6
137.05995	0.3
146.10284	0.2
149.05994	1.1
166.07368	0.3
166.08665	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0706
Annotation	3-Methoxy-4-hydroxyphenylacetaldehyde
Peak:m/z	Relative Intensity
51.02384	0.3
53.03947	1.8
55.01856	0.5
55.05503	0.8
56.96561	1.3
57.03439	0.5
65.03931	0.4
66.04690	0.3
67.05504	1.0
69.03437	0.4
69.07064	0.6
69.80733	1.0
69.81146	0.6
77.03917	0.5
77.33164	0.3
78.04721	3.5
79.05499	4.2
79.16801	0.3
81.03423	1.8
81.07056	1.7
83.04990	0.6
84.96024	1.2
91.05460	0.8
92.02625	1.0
93.03413	0.4
93.07054	1.8
93.92503	0.3
94.04191	3.5
95.04986	3.8
95.08596	0.6
96.05758	6.7
97.06541	0.6
103.00638	1.4
105.03397	1.9
105.04520	0.7
105.07061	0.5
106.04168	1.2
107.04970	1.8
107.08595	2.1
108.05747	13.2
109.02895	2.9
109.06536	4.6
111.04483	0.5
111.08073	0.4
120.02080	0.4
121.01678	3.1
121.06541	1.1
121.08465	0.5
121.10155	1.3
122.03709	0.3
123.04433	5.1
123.08121	0.4
124.05216	34.7
125.06042	2.3
128.97858	0.5
134.98123	0.3
135.05539	1.1
137.02493	0.4
137.05983	0.4
139.07545	100.0
140.07867	1.1
140.97493	0.3
144.03230	2.7
149.02354	0.6
149.05962	0.5
149.09589	0.4
151.03897	0.6
152.04700	0.7
162.04291	0.9
167.03430	2.3
167.07051	28.7
167.11841	0.5
168.07397	0.4
168.10347	0.3
175.02777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	Tricaine
Peak:m/z	Relative Intensity
53.03928	0.6
69.98077	2.2
77.03970	0.5
78.92780	0.4
80.01617	0.4
82.52838	0.5
91.05477	4.4
93.07043	2.4
95.04949	0.9
101.00876	1.9
102.00941	3.3
102.02141	0.6
103.05480	3.6
119.01907	1.7
119.04941	2.5
120.02025	4.9
120.08115	4.7
121.01657	0.9
121.06516	31.5
122.06834	0.6
123.04452	8.6
125.02603	1.2
131.04947	7.2
137.05989	44.6
138.03070	0.8
138.06287	0.5
142.03505	1.8
143.01854	0.6
143.03630	5.9
144.03253	0.8
148.07559	2.1
149.05991	33.3
151.06190	0.5
152.43069	0.4
161.04710	0.7
166.08649	100.0
167.09016	1.3
171.07845	0.5
174.47987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03947	1.9
55.01872	3.0
55.05513	6.4
56.96575	1.5
57.03442	8.1
57.07089	1.6
59.05008	0.6
61.02927	0.8
65.03947	1.6
67.05507	30.2
69.03436	8.7
69.07074	7.5
70.50170	1.7
71.05009	3.0
76.44843	0.6
79.05496	31.4
81.03414	0.9
81.07060	80.6
82.01434	0.6
82.07396	0.6
82.99837	1.0
83.01534	0.7
83.04986	9.4
83.08649	1.2
85.02891	3.3
85.06554	4.2
87.04469	0.7
87.87745	0.6
91.05487	38.7
93.07049	40.4
95.04982	5.5
95.08612	19.5
97.06544	8.5
99.04464	1.1
99.08124	1.5
101.00883	8.2
101.02562	1.5
103.05511	1.0
105.07037	67.5
107.08601	24.3
109.06533	11.2
109.10185	5.1
111.04427	0.8
117.07017	1.9
119.01919	11.9
119.04948	1.3
119.07941	1.2
119.08588	51.9
121.10151	61.8
122.10489	0.6
123.08091	5.4
123.11713	9.2
124.02477	2.3
129.01471	0.7
131.08589	0.6
137.02972	1.7
137.09570	3.3
137.13283	2.6
142.03510	13.2
143.05382	1.0
145.10091	2.1
147.04440	3.6
147.11694	100.0
148.11992	1.4
160.04605	2.6
165.05421	1.9
165.09094	1.4
165.12767	77.0
166.13037	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
51.75780	1.0
53.03923	2.5
55.01851	4.1
55.05513	7.8
55.36889	1.0
56.59439	1.1
56.96556	1.8
57.03439	10.2
61.02922	2.5
65.03944	1.6
67.05508	33.5
69.03083	1.3
69.03431	15.1
69.07071	7.0
70.94189	2.1
71.04995	2.7
79.05062	2.1
79.05492	31.6
81.03419	1.9
81.07060	79.2
82.44244	1.1
82.99866	2.6
83.04986	11.1
85.02895	4.6
85.06519	3.7
88.02925	1.1
91.05483	35.1
93.07045	38.7
95.04967	5.4
95.08608	19.6
97.06540	8.4
99.04432	2.4
100.02479	1.2
101.00883	25.1
101.02587	3.7
105.07034	64.2
107.08599	23.8
109.06536	9.7
109.10155	4.2
111.04444	2.5
117.06985	1.6
119.01928	42.6
119.04926	3.0
119.08581	52.0
119.97279	1.2
121.10148	62.1
123.08092	6.9
123.11694	9.4
124.02423	6.5
129.05495	1.7
137.02980	7.4
137.06006	2.1
137.09604	4.3
137.13213	2.0
142.03503	46.2
142.04616	2.4
143.03627	1.3
147.04419	6.7
147.11690	100.0
148.12061	1.5
160.04594	9.9
165.05228	3.8
165.07718	1.7
165.09070	6.3
165.12756	82.3
166.13043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0868
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
56.96563	0.6
57.03431	0.3
69.03420	0.3
69.80299	1.3
69.94157	0.2
70.42741	0.2
79.05504	0.2
85.02930	0.5
91.05478	0.9
92.04987	0.6
99.29371	0.2
100.02507	0.3
103.05460	0.4
113.53198	0.4
115.05457	0.7
117.07005	2.4
118.06557	1.7
119.04925	0.3
121.01667	0.6
122.53741	0.6
133.07617	11.8
135.04448	0.9
136.07584	0.4
145.06500	2.0
145.07597	13.0
146.05972	0.8
146.08397	1.1
163.08676	100.0
164.07085	1.6
164.09015	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08454	0.6
59.18884	0.5
71.05412	1.2
78.55168	0.5
82.01456	1.2
82.99843	6.5
87.56414	0.6
93.56651	0.5
100.02474	1.0
101.00887	51.9
102.01006	0.7
102.21883	0.5
111.00409	0.7
119.01927	81.4
120.02068	0.6
124.02456	15.3
124.03362	0.8
137.01973	0.7
137.02974	10.8
142.03505	100.0
143.03674	0.6
160.04556	16.6
160.06609	0.6
165.05098	1.5
183.03117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.0
62.63298	0.6
70.08842	0.9
70.09229	1.5
75.70995	0.5
78.40739	0.6
82.01443	1.0
82.99842	9.6
84.63550	0.6
91.05495	1.4
98.21426	0.6
100.02492	1.3
101.00885	66.8
102.00986	1.2
103.05558	0.6
104.46799	0.7
108.54054	0.6
119.01926	90.9
119.06837	0.9
120.02012	2.1
120.08061	0.6
121.06525	3.3
123.04432	1.9
124.02454	17.7
131.04936	0.9
136.05168	0.8
137.02953	12.0
137.05959	4.3
142.03503	100.0
143.03622	2.5
147.04349	0.8
147.06349	1.3
149.05984	4.5
160.04556	14.0
165.05154	1.4
165.07445	1.8
166.08646	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	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01869	3.6
55.02100	0.6
55.05511	7.3
56.96568	1.8
57.03438	8.9
57.07072	0.8
61.02925	1.9
65.03941	1.8
67.05508	32.7
69.03430	13.2
69.07072	7.7
71.05003	3.2
71.56286	0.8
77.03924	0.6
79.05495	31.6
81.03443	1.4
81.07060	74.2
82.07381	0.9
82.99850	1.5
83.01543	0.6
83.04490	0.6
83.04984	10.8
83.08632	1.7
85.02908	3.2
85.06543	4.0
85.88094	0.5
91.05486	35.1
92.05849	0.7
93.07050	37.3
95.04973	5.5
95.08612	19.7
95.09229	0.7
97.06534	8.0
99.04478	1.6
99.08086	1.0
100.02499	1.1
101.00885	13.9
101.02572	1.7
103.05490	0.9
105.04538	1.1
105.07034	63.6
107.08603	21.7
109.06520	10.0
109.10164	4.5
111.04437	1.4
117.07055	1.3
118.03493	0.6
119.01931	27.4
119.03670	1.1
119.04959	2.1
119.08588	51.9
120.08920	0.7
121.04116	0.5
121.10149	62.2
122.10470	0.8
123.08079	5.8
123.11714	9.2
124.02497	3.7
129.05482	1.5
130.04727	0.5
130.06419	0.5
135.04376	0.5
137.02969	5.0
137.06029	1.1
137.09613	3.7
137.13275	2.1
142.03508	27.6
143.05414	1.0
145.10115	2.0
147.04425	5.7
147.11694	100.0
148.12062	1.1
160.04567	6.2
165.05498	3.5
165.07509	1.7
165.09116	2.9
165.12761	82.9
166.08659	1.6
166.13086	1.2
172.91492	0.5
178.37924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10873	0.2
71.02972	0.3
74.45040	0.2
82.99847	5.0
88.79463	0.2
91.30637	0.2
96.82677	0.2
98.97581	0.5
99.16260	0.2
100.02507	0.4
101.00889	45.0
102.00952	2.1
103.02450	0.5
107.05283	1.0
111.00459	0.3
111.04474	0.6
116.05792	0.9
118.42562	0.2
119.01929	100.0
120.01996	4.7
121.01627	0.3
121.02399	0.3
124.02436	0.3
125.02607	0.6
126.06516	0.2
129.04727	0.4
137.02963	18.6
138.03061	0.8
142.03523	1.3
143.01897	0.6
143.03644	3.6
144.03253	0.5
147.05022	0.2
154.80492	0.2
161.02975	7.6
161.04649	0.8
162.03101	0.2
162.04362	0.3
179.04019	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	162.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02673	0.3
56.05038	15.8
57.03455	0.3
64.65103	0.4
70.66466	0.6
70.66868	0.6
71.04993	0.5
74.06079	0.5
81.07081	0.4
84.04509	100.0
85.02900	1.7
85.04846	0.4
95.01361	0.7
95.17514	0.3
98.06039	0.8
99.04480	1.1
102.05560	3.0
113.02375	0.3
116.07099	42.3
126.36051	0.3
130.05016	19.7
144.06517	0.7
145.04970	6.6
145.06189	0.4
145.06534	0.3
162.05553	0.7
162.07637	5.6
162.08990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0763
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
56.02673	0.3
56.05038	15.8
57.03455	0.3
64.65103	0.4
70.66466	0.6
70.66868	0.6
71.04993	0.5
74.06079	0.5
81.07081	0.4
84.04509	100.0
85.02900	1.7
85.04846	0.4
95.01361	0.7
95.17514	0.3
98.06039	0.8
99.04480	1.1
102.05560	3.0
113.02375	0.3
116.07099	42.3
126.36051	0.3
130.05016	19.7
144.06517	0.7
145.04970	6.6
145.06189	0.4
145.06534	0.3
162.05553	0.7
162.07637	5.6
162.08990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0762
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
52.91778	0.2
56.05038	16.3
56.96564	0.6
57.03449	0.4
61.02920	0.6
63.83179	0.2
65.76320	0.2
70.06585	0.4
70.60261	0.5
71.04996	0.5
73.02933	0.2
74.06091	1.0
81.07067	0.5
83.08618	0.5
84.04510	100.0
85.02909	2.2
85.04837	0.5
90.01567	0.2
91.19221	0.2
95.01328	0.7
97.02866	0.3
98.06048	0.6
99.04469	1.0
99.08044	0.3
101.00914	0.3
102.00999	0.6
102.05551	2.3
103.03954	0.3
113.02377	0.3
116.07098	41.3
116.98628	0.2
117.07468	0.2
119.01929	0.4
120.02032	1.0
120.06561	0.6
121.01663	0.5
126.09149	0.3
127.03918	0.6
130.05011	19.0
133.03479	0.2
134.03670	0.2
138.03073	0.2
138.08115	0.2
144.03207	0.2
144.06548	0.7
144.10156	0.3
145.04961	5.8
147.05000	0.3
148.05130	0.2
154.94130	0.2
162.07629	4.5
163.03871	0.2
163.07515	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02380	0.5
53.03941	1.4
55.05511	0.6
56.96563	1.0
57.03425	1.2
57.07069	0.7
61.02921	0.4
69.03436	0.7
69.07076	0.4
69.23663	2.8
76.65807	0.3
77.03942	0.6
79.05487	1.9
81.07047	0.8
82.01431	0.4
83.00816	0.5
85.02906	0.8
89.03936	2.6
91.05484	1.8
93.07043	1.3
94.51611	0.5
95.04980	1.3
97.02888	0.6
98.97598	0.9
99.04469	0.5
100.02475	0.8
102.96906	0.5
103.05476	76.2
104.05800	1.0
105.03413	0.5
105.04520	0.8
105.07045	1.6
107.04951	2.1
107.08607	2.4
110.01289	0.6
110.97590	0.4
115.05440	0.5
116.98581	0.4
117.03390	2.3
117.07021	1.1
118.03508	0.6
119.01775	0.7
119.04953	0.7
119.08588	0.6
121.06547	0.6
121.10165	1.4
130.06529	0.5
131.04938	100.0
132.05251	1.5
132.08089	0.7
133.01936	0.3
133.02806	1.5
134.06021	1.2
135.04427	5.6
135.06807	1.7
135.08031	0.9
135.11699	0.8
136.07599	0.4
137.05978	0.6
145.02872	1.8
145.03918	0.5
145.06483	1.1
145.10115	1.6
163.03937	13.0
163.06284	4.4
163.07573	15.0
163.11153	3.0
163.12265	0.3
163.14848	0.5
164.07076	11.6
181.02899	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	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.9
71.10116	0.3
71.55344	0.1
79.05515	0.2
81.07056	0.8
91.05487	30.2
92.05838	0.4
105.14865	0.1
107.04951	0.2
109.06522	1.8
119.04950	21.6
120.05259	0.3
121.88035	0.1
122.86379	0.1
137.05986	100.0
138.06329	1.1
154.08632	0.5
165.07948	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	158.0814
Annotation	N-ACETYLPROLINE
Peak:m/z	Relative Intensity
55.01894	0.4
55.05503	0.3
55.90603	0.2
56.96571	0.7
67.05515	0.3
68.05044	0.5
69.03410	0.3
70.06599	100.0
70.39376	0.9
71.06937	0.8
72.38819	0.2
73.02947	0.2
75.44746	0.2
80.05013	0.5
82.01467	0.4
84.08147	1.4
86.52731	0.5
87.04509	0.2
95.53223	0.3
98.06068	0.7
98.09710	1.6
98.97593	4.9
100.02506	0.5
103.00642	0.9
112.07618	43.4
112.55746	0.6
113.07929	0.3
116.07108	19.3
116.98644	2.4
118.11562	0.3
121.01676	1.6
123.05577	0.3
130.08681	0.4
134.99712	0.3
140.07079	2.6
140.14351	0.8
144.03311	1.0
158.08141	4.9
158.09546	1.7
158.15416	7.6
173.03043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05513	0.9
56.96568	6.0
65.63798	0.5
67.05508	3.2
71.05009	0.8
71.06923	0.5
71.56630	0.6
71.95236	0.6
76.92878	1.8
76.93383	2.5
79.05502	2.1
81.07067	1.5
87.00826	2.5
91.05482	13.2
93.07064	0.7
95.02603	0.6
95.58023	0.6
98.97600	5.3
103.05479	0.8
104.03090	0.9
105.07037	17.0
113.02369	1.0
115.05468	3.7
116.06235	1.9
116.98617	3.2
117.01850	2.5
117.07023	30.3
117.96008	3.6
118.07409	0.9
119.08579	7.6
126.05148	1.1
126.55315	2.0
128.06213	1.3
129.07011	13.5
130.07793	16.5
131.08572	76.5
132.08875	1.3
134.99631	0.7
135.05696	0.9
135.55849	2.0
135.97044	1.0
136.06052	0.5
141.01833	4.3
142.07777	1.4
142.85461	0.5
143.08568	1.1
144.09349	18.8
157.10156	3.2
159.11697	100.0
159.15778	4.6
160.12071	1.4
172.82080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03935	4.7
55.01878	2.2
55.05266	1.5
55.05512	14.6
56.96567	6.7
57.03431	1.8
57.07071	2.2
59.04991	5.0
60.55342	1.2
65.03656	1.6
65.03945	21.0
67.01855	3.9
67.05511	10.4
68.99785	3.6
69.03422	6.0
69.07071	12.4
69.19836	5.0
69.20260	9.6
70.94268	11.0
70.95851	4.8
71.04598	1.9
71.04993	36.8
71.94092	1.6
71.95257	1.8
73.06558	23.5
79.05499	28.9
81.03410	4.4
81.07060	100.0
83.05002	10.1
83.08610	3.6
85.06539	2.0
87.04474	1.6
88.95292	2.7
89.78684	1.6
91.05496	15.1
93.03413	15.1
93.06479	2.8
93.07047	48.9
95.04975	16.5
95.08609	12.6
97.02882	2.1
97.06527	10.4
98.06077	1.7
105.07018	3.9
106.51524	1.3
107.04953	8.2
107.08603	45.0
109.06544	12.1
109.10150	10.2
110.03635	5.9
111.04443	28.6
111.08085	8.7
111.96888	10.0
119.04922	4.2
119.08540	2.3
121.02877	1.7
124.05239	2.2
125.06003	18.9
125.09595	1.6
129.97888	5.4
134.05989	1.5
135.04416	6.0
135.08083	3.1
135.11694	32.8
136.07573	4.6
137.05978	11.9
153.01863	14.4
153.05496	20.4
153.06602	1.7
153.09137	11.0
153.10199	1.9
153.12755	19.8
154.04916	2.8
154.08606	2.3
154.12233	2.5
170.22708	1.3
171.02876	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	154.0863
Annotation	Dopamine
Peak:m/z	Relative Intensity
65.03936	1.2
69.64606	0.2
70.89407	0.3
71.27332	0.2
79.05496	0.3
81.07072	0.6
89.03899	0.2
91.05483	36.4
92.05815	0.6
108.88512	0.1
109.06528	2.0
119.04948	23.1
120.05250	0.5
125.67179	0.2
137.05981	100.0
138.06288	1.5
154.08656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03947	2.3
53.49219	0.8
55.01862	1.6
55.05302	1.0
55.05513	10.0
56.96578	7.2
57.03440	5.8
57.07067	2.7
57.49334	0.9
64.70238	0.9
65.03954	7.6
67.05510	26.5
69.03422	4.2
69.07071	46.9
70.94259	5.6
70.95854	2.6
71.01340	0.9
71.04978	2.8
71.95262	4.6
79.05502	22.6
80.05013	1.1
81.07065	31.7
83.04984	8.6
83.08622	5.5
84.04517	1.2
85.02888	1.5
85.06524	1.9
87.04501	1.2
88.95287	1.2
91.05465	6.3
93.03408	5.0
93.07050	44.3
95.04971	3.2
95.08613	16.9
97.06538	21.3
100.51031	1.3
105.07020	1.9
105.12922	1.0
107.01746	1.2
107.04961	4.8
107.08596	43.4
109.06529	2.1
109.10164	29.2
110.03630	2.3
111.04463	11.9
111.08085	7.3
111.96873	4.1
119.01805	1.5
119.53379	1.0
121.02872	1.7
123.37757	0.9
125.06023	10.8
125.09639	2.1
129.53270	1.2
129.97954	2.2
130.04694	1.1
135.04433	2.1
135.11702	100.0
136.03957	3.1
136.07581	3.1
136.12061	1.3
137.05980	5.2
153.05505	10.9
153.07431	4.5
153.09109	3.5
153.12750	97.6
154.05005	1.5
154.08632	1.2
154.12177	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	4-Vinylguaiacol
Peak:m/z	Relative Intensity
53.03941	0.3
54.70529	0.3
56.12305	0.3
58.00796	0.3
65.03938	0.5
66.04726	0.9
67.05495	0.5
69.61061	2.2
77.03909	0.4
78.04709	0.8
79.05491	1.9
80.06286	2.6
90.04695	1.8
91.04968	0.5
91.05485	6.5
91.96487	0.4
93.03394	1.0
93.07046	0.4
95.04977	0.8
98.20748	0.7
105.03383	1.3
106.04175	1.9
107.04957	23.2
108.05750	9.5
118.04144	0.9
119.04948	0.8
119.06060	0.4
121.02828	0.4
122.13094	0.3
128.03166	0.3
135.04425	6.9
135.42610	0.4
136.05212	3.5
151.07545	100.0
152.07896	1.6
157.47859	0.3
161.42622	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03942	0.7
55.05511	5.7
56.96565	2.9
57.03439	0.7
57.07068	1.3
61.02945	0.6
65.03950	2.2
67.05505	83.2
68.05820	0.4
68.95290	1.6
69.03442	1.0
69.07066	3.5
73.02900	0.8
78.04715	0.6
79.05498	4.7
80.06261	0.9
81.07058	41.8
83.08635	1.0
85.02879	0.7
89.06047	0.5
91.05468	2.9
93.07053	4.5
95.04979	2.5
95.08607	100.0
96.08923	0.6
97.02894	0.7
98.20711	0.9
98.97581	1.9
101.00767	0.7
105.07035	1.9
106.97675	0.5
107.04958	4.0
107.08584	2.5
107.47676	0.6
108.05746	2.1
109.06522	1.5
109.10157	51.3
110.01270	1.9
110.97593	0.5
116.48172	0.5
116.98605	0.5
119.01820	2.6
119.04952	0.7
121.52052	0.8
123.04437	0.6
123.06363	0.6
123.08065	1.8
123.11713	1.1
123.49381	0.5
128.02316	1.2
128.98630	0.8
130.52626	1.5
133.10129	0.6
135.04436	1.3
136.05179	0.9
139.53084	0.5
144.97977	0.4
151.02823	0.6
151.03931	7.1
151.07542	22.0
151.08562	0.9
151.11220	2.3
151.13651	0.7
151.14822	11.8
152.07040	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
53.03940	7.0
56.96552	2.3
67.05514	3.2
70.82491	5.4
75.01910	3.3
79.05495	22.0
82.02681	3.2
84.02425	2.7
92.05798	4.4
95.04967	21.7
98.97577	2.9
100.76712	1.8
101.00900	2.1
106.06532	10.4
107.04961	18.6
107.11948	1.8
110.03524	11.2
110.97607	2.4
115.01402	5.3
119.01926	2.6
120.05289	2.2
123.04440	100.0
124.01891	5.2
124.07588	2.3
133.03455	2.4
134.06006	23.5
135.03059	20.8
135.04390	9.0
152.05685	88.6
152.07045	26.8
153.04095	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	151.0754
Annotation	875-59-2
Peak:m/z	Relative Intensity
53.03954	0.7
55.01854	0.9
55.05504	1.1
56.96561	2.5
57.03431	1.1
57.07080	0.6
59.85675	0.4
61.02910	1.2
65.03935	2.2
66.04716	1.1
66.92002	0.3
67.05510	4.1
67.80459	0.3
68.95288	2.9
68.99780	0.5
69.03436	0.9
69.07076	0.8
69.32937	3.2
71.01341	0.3
71.40379	0.4
72.08149	0.5
73.02908	0.9
77.00774	0.6
77.03934	0.6
78.04720	1.0
79.05487	3.8
80.06281	1.9
81.03401	1.4
81.07060	4.3
83.00780	0.5
84.08099	0.4
85.02882	0.7
89.00798	0.5
89.06039	1.0
89.31724	0.4
90.04697	1.1
90.98714	0.4
91.05486	12.6
92.06300	0.4
93.03419	0.9
93.07045	3.6
95.01317	0.5
95.04987	3.2
95.08615	4.1
96.01544	0.7
96.08152	0.4
97.02899	0.5
98.01279	0.6
98.47141	0.9
98.97601	1.8
100.09899	0.4
101.00767	0.9
103.05476	0.4
105.03403	1.7
105.07047	4.2
106.04163	1.8
106.06568	0.6
106.07364	1.2
107.04961	20.7
107.08602	2.9
107.47644	1.5
108.05748	9.9
109.02843	0.7
109.06497	2.7
109.10148	3.3
110.01277	1.4
116.48158	1.5
116.98614	0.7
118.04168	0.9
119.01813	2.9
119.04955	4.0
121.02870	0.4
123.04425	1.5
123.08062	2.9
123.11709	1.7
124.07642	0.6
125.48702	0.5
127.03926	0.5
128.02335	2.4
133.06487	1.0
133.10124	1.9
135.04431	6.7
136.05212	3.2
137.02840	0.7
139.53120	0.9
151.02815	0.9
151.04016	6.0
151.07550	100.0
151.11067	4.1
152.06970	0.9
152.08017	0.8
154.90773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0755
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
50.01590	0.3
53.03944	0.9
56.96565	1.9
57.03437	0.9
65.03947	5.1
67.05515	0.4
68.02664	0.4
69.88185	0.6
69.88597	0.9
73.02910	0.4
77.03976	0.4
79.05500	1.1
80.06280	1.0
81.03417	0.7
81.35563	0.3
85.02905	0.5
91.05485	100.0
92.05865	0.7
93.07082	0.5
95.04976	9.9
98.97589	1.9
101.00777	0.7
103.05472	0.9
105.07065	0.6
107.04945	0.4
108.05759	1.6
110.01290	1.8
110.97587	0.5
119.01803	1.2
119.04950	56.4
122.56730	0.3
123.04453	1.2
123.08089	1.0
128.02319	2.0
128.98589	0.5
136.04126	0.5
136.05197	11.3
137.02876	0.9
137.06000	4.2
151.07547	56.1
152.07950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0606
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
56.05038	4.9
60.04527	1.2
68.88673	0.5
70.06593	0.8
71.30259	0.7
74.02461	0.7
84.04511	100.0
84.08131	1.2
85.02910	2.9
85.04856	1.7
85.08488	1.0
88.04019	1.4
88.07650	1.1
92.05058	0.4
92.05729	0.5
94.56384	0.4
102.05550	21.6
102.41972	0.4
105.21182	0.5
106.05039	0.8
120.04513	0.8
130.05014	14.1
130.05949	0.8
131.05386	0.7
148.03902	0.6
148.06044	2.6
149.02357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
54.73943	2.3
55.05498	4.6
56.73484	1.8
65.03943	27.2
67.05502	3.2
68.61546	2.2
69.07066	11.5
71.56618	2.5
73.81822	2.1
75.42628	1.9
78.11612	2.9
79.05508	10.1
81.07063	18.2
82.37070	2.0
83.08616	2.7
91.05487	15.4
93.03429	2.9
93.07043	60.9
95.08611	2.9
105.07025	6.0
105.94656	2.0
107.08598	33.2
108.04490	2.6
111.04449	4.0
121.02875	38.1
121.03992	12.5
121.10141	17.8
122.06033	5.6
144.10574	2.2
149.02351	100.0
149.13266	31.2
150.02669	2.4
150.05560	5.3
168.45337	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03939	1.8
55.01863	1.3
55.05498	3.5
56.96544	1.3
57.07090	1.0
65.03938	29.4
67.05503	11.5
68.99796	1.1
69.07067	6.7
70.05566	0.8
71.55546	1.5
71.55909	1.0
79.05495	12.2
79.48822	0.8
79.96667	1.0
80.02637	1.1
81.07056	19.4
83.08623	1.3
88.88723	1.0
89.03912	1.1
90.44934	0.9
91.05483	10.6
93.03398	5.8
93.07043	35.1
95.04979	1.6
95.08615	3.9
98.03659	1.7
103.05452	3.0
105.07052	7.0
106.04167	0.9
107.08592	35.5
108.04496	1.7
108.83096	0.9
111.04425	4.0
119.08591	1.6
121.01997	1.8
121.02868	37.2
121.03973	11.7
121.04743	1.4
121.06480	4.3
121.10133	25.7
123.08056	1.7
131.04991	1.0
149.02345	100.0
149.05951	6.3
149.09602	5.4
149.13254	22.9
150.02686	1.6
150.05513	2.4
150.09148	1.4
155.77898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03939	2.0
54.48444	0.9
55.01864	2.4
55.05518	4.7
65.03943	28.2
67.05177	1.0
67.05508	13.0
69.07075	9.4
69.94358	1.7
69.94747	2.1
79.05495	24.9
81.03422	2.4
81.07059	40.6
83.08619	1.6
89.15176	1.0
91.05483	13.3
93.03413	7.3
93.07044	45.1
95.04967	2.1
95.08606	6.6
98.03671	1.2
103.05476	2.1
105.07028	3.9
107.04954	14.6
107.08594	33.2
108.04469	2.6
109.06521	0.9
111.04470	5.0
120.05685	1.2
121.02868	41.7
121.03973	11.2
121.06509	2.0
121.10139	13.7
122.03133	1.2
122.06025	1.6
131.04939	1.6
132.04395	0.9
138.82899	0.8
149.02350	100.0
149.05971	2.5
149.07060	1.6
149.09639	11.4
149.13268	36.2
150.02742	1.5
150.05547	1.5
150.09128	1.3
167.03383	1.0
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	Ectocarpen
Peak:m/z	Relative Intensity
53.03940	2.0
55.01877	2.1
55.05510	12.7
56.96564	2.2
65.03941	27.9
65.17491	1.4
67.05505	5.8
69.07069	15.0
69.80909	4.2
69.81304	2.8
79.05499	32.9
79.05954	1.8
81.07055	21.8
91.05492	21.6
93.03426	6.3
93.07052	76.0
95.04971	4.2
95.08611	7.2
103.05502	2.2
105.07040	6.9
107.08606	61.3
108.04503	2.3
111.04447	5.4
119.08591	3.3
121.02875	42.2
121.03977	14.0
121.06512	5.0
121.10156	20.2
122.06040	1.6
127.48889	1.7
149.02356	100.0
149.05989	2.7
149.07085	1.9
149.09651	4.2
149.12216	1.2
149.13272	29.6
149.14380	2.5
150.05528	3.5
167.03381	1.5
168.42606	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	N-Methyl-D-aspartic acid
Peak:m/z	Relative Intensity
59.05005	1.1
60.04532	15.5
63.97828	0.7
65.03947	1.8
66.93249	0.6
70.02957	8.0
71.57005	0.9
84.04509	4.8
88.03999	100.0
91.05507	1.5
92.05807	1.0
102.05552	53.0
120.05270	1.5
121.02859	2.7
139.36255	0.7
148.03899	1.1
148.06087	2.2
148.07564	1.1
149.02342	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	148.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
56.04781	0.5
56.05039	5.7
56.96579	1.9
57.03435	0.7
59.00810	0.3
59.27039	0.3
60.04538	0.7
65.03935	0.5
69.86594	0.7
69.86998	1.1
70.02950	0.6
70.98122	0.6
76.99776	0.3
83.00817	0.6
84.04510	100.0
84.08147	2.8
85.02908	2.9
85.04844	2.0
85.08498	0.4
86.09718	0.9
88.03997	0.7
88.07614	0.6
88.84583	0.4
91.05476	0.5
91.79977	0.3
92.05004	0.9
93.07075	0.4
97.99165	0.4
98.97610	0.6
102.03387	0.6
102.05553	20.1
103.05451	0.7
106.01058	0.3
106.05044	0.6
106.96590	0.6
111.03869	0.4
117.01878	0.4
119.01846	0.5
120.04485	1.5
120.08089	2.2
121.02905	0.6
121.06493	0.5
124.04655	0.5
125.01797	0.7
130.04042	0.8
130.05008	13.7
130.05952	0.7
130.08777	0.3
131.05315	0.5
133.05316	0.6
134.02325	0.6
134.32649	0.3
143.67360	0.4
147.55772	0.4
148.03885	2.0
148.06078	3.3
148.07593	1.0
149.02312	1.9
162.99138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93888	5.6
67.49804	5.3
69.34505	5.5
70.08507	24.6
79.62003	4.9
82.99839	7.3
84.39285	5.5
96.92050	5.6
101.00903	56.2
105.29185	6.6
106.55411	6.2
119.01936	100.0
124.02541	8.3
137.02971	17.8
142.03506	47.4
160.04599	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96564	4.7
70.10282	23.0
82.99820	5.6
92.26846	6.1
101.00883	51.2
119.01928	100.0
124.02453	8.3
137.02959	9.4
142.03499	39.9
160.04576	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81217	6.2
53.13631	5.3
56.96576	11.6
61.40382	6.5
66.48421	5.9
67.10065	6.3
69.64838	39.6
72.43837	6.2
82.99855	15.2
85.10143	8.1
86.99572	7.4
98.20732	6.6
100.02477	15.0
100.97186	6.2
101.00893	56.6
103.95705	6.4
110.02194	6.2
114.52174	6.5
119.01929	100.0
120.06277	7.8
124.02457	11.8
137.02972	20.7
142.03479	49.8
160.04568	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	142.1229
Annotation	Physoperuvine
Peak:m/z	Relative Intensity
55.05516	1.3
56.05042	12.5
57.03414	1.3
57.07074	2.7
61.16031	1.1
63.81540	1.0
65.46073	1.2
68.04668	2.0
68.05033	31.4
69.03431	2.7
69.07060	5.2
70.25513	2.7
71.04995	1.1
71.08627	8.6
72.04522	64.8
72.29187	1.2
80.05010	3.6
82.06590	10.8
84.08150	21.2
86.06078	13.1
95.08621	8.4
97.02893	3.1
106.91263	1.1
114.09167	1.7
124.11239	53.5
125.02348	5.5
139.04112	1.2
142.08636	4.8
142.12283	100.0
143.03383	12.9
143.12563	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
57.36525	0.4
59.27779	0.4
65.03947	6.5
65.57913	0.4
69.97293	1.4
79.05470	0.7
81.07068	2.1
91.05487	100.0
92.05818	1.4
94.04214	0.5
98.20801	0.8
103.05475	0.5
107.46998	0.4
109.06535	3.4
119.04952	43.2
120.05299	0.8
121.06512	2.7
137.05975	45.2
141.84129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03939	1.2
54.29420	0.5
61.95535	0.6
65.03931	1.3
66.04734	3.3
69.27247	4.1
69.27658	1.4
77.03938	0.7
79.05499	3.0
81.07043	1.0
91.05496	2.8
94.04193	27.2
97.25881	0.5
107.04919	1.4
109.06511	0.7
122.03658	48.4
127.20475	0.6
135.04439	0.9
137.05986	100.0
138.06381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
52.03149	0.2
53.03939	0.3
56.96564	0.9
67.05494	0.7
68.05034	0.3
78.03024	0.3
78.03461	5.2
78.60774	0.2
79.04215	1.1
80.05003	0.4
92.05022	0.4
92.05829	0.5
93.05757	0.4
94.06577	0.8
96.04506	9.2
98.21622	0.2
106.02915	0.6
108.04482	3.6
109.05267	0.6
110.06041	0.9
111.03175	0.3
111.04369	0.2
114.38725	0.2
121.06502	0.9
124.03969	3.1
136.03966	0.4
138.05513	100.0
139.05838	1.0
154.05009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
56.96571	6.2
59.01382	0.3
62.03836	0.2
65.03607	0.4
65.03941	6.2
67.54091	0.3
70.59096	0.4
70.59427	0.7
71.95252	0.5
80.02583	0.3
83.04983	0.5
86.05983	0.3
93.03413	3.2
93.07058	0.5
95.04962	1.0
97.06553	0.4
98.03662	0.4
98.97588	9.1
98.98356	0.5
98.98499	0.6
111.04450	3.1
116.98613	4.3
121.02875	100.0
121.03873	3.1
122.03194	1.4
134.99655	1.3
139.03918	5.1
139.07558	0.3
139.12331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Salicylate
Peak:m/z	Relative Intensity
55.01878	0.5
56.96571	6.2
59.01382	0.3
62.03836	0.2
65.03607	0.4
65.03941	6.2
67.54091	0.3
70.59096	0.4
70.59427	0.7
71.95252	0.5
80.02583	0.3
83.04983	0.5
86.05983	0.3
93.03413	3.2
93.07058	0.5
95.04962	1.0
97.06553	0.4
98.03662	0.4
98.97588	9.1
98.98356	0.5
98.98499	0.6
111.04450	3.1
116.98613	4.3
121.02875	100.0
121.03873	3.1
122.03194	1.4
134.99655	1.3
139.03918	5.1
139.07558	0.3
139.12331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0756
Annotation	2'-Aminoacetophenone
Peak:m/z	Relative Intensity
58.02964	71.4
65.09863	1.3
69.19734	2.0
69.20058	16.6
77.56108	1.4
78.06398	1.3
79.05473	9.1
91.04974	2.7
91.05489	38.5
92.51466	1.5
104.06271	2.2
117.05737	3.5
118.06547	32.4
119.07331	100.0
120.07703	1.9
121.55950	1.4
136.02174	10.3
136.06190	15.8
136.07570	68.9
137.05989	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	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
67.03003	0.3
69.96897	0.8
72.96396	0.2
91.05470	1.4
92.02506	0.4
94.04062	2.2
106.07587	0.2
109.05120	0.6
115.90931	0.2
119.03558	7.5
119.04931	0.5
122.10008	0.2
136.06195	100.0
137.04593	2.8
137.06548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
50.97014	1.1
58.02966	71.8
65.03951	1.3
66.74320	1.2
69.56031	7.9
76.04031	1.4
79.05505	8.3
81.07044	1.5
84.65120	1.0
91.05487	45.4
93.05791	1.4
94.04178	2.4
98.20754	1.9
104.06268	2.1
109.06496	1.5
117.05741	3.6
118.06552	33.9
119.03532	1.7
119.04963	2.3
119.07333	100.0
120.07662	2.6
136.02187	9.7
136.06201	17.6
136.07567	75.4
137.05997	8.9
145.83929	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
58.02965	62.7
65.03933	0.7
71.56918	1.0
76.03999	0.9
79.05495	9.6
81.07057	1.1
82.52673	0.5
89.59650	0.5
91.05487	35.9
92.06284	1.1
93.05795	0.7
104.04974	1.3
104.06250	1.9
108.08120	0.6
108.96049	0.5
109.06564	0.6
117.05761	3.1
118.06550	33.4
119.03555	1.0
119.07331	100.0
120.07675	1.6
136.02187	6.3
136.06213	13.0
136.07590	71.5
137.04979	0.5
137.05962	2.4
137.07965	0.7
153.20328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	L-Aspartate
Peak:m/z	Relative Intensity
55.01890	1.8
56.96559	2.9
57.03437	17.8
58.99860	1.8
68.04967	1.3
69.03427	3.7
69.83123	4.9
70.02962	7.9
72.52954	2.1
73.02908	3.4
74.02443	100.0
75.86055	1.2
77.52182	6.4
78.52950	1.6
79.02151	1.7
79.51942	2.5
81.03419	4.9
82.01443	6.8
83.01446	1.6
84.52945	2.0
85.01403	1.7
85.02926	3.3
85.53714	2.1
86.52708	24.3
87.02797	1.9
88.02692	4.5
88.03992	61.2
90.52963	2.3
93.53485	1.7
95.53200	9.6
97.02986	1.3
100.02489	13.9
101.00878	14.2
101.02573	1.4
102.02383	3.6
109.02895	2.3
111.02928	2.2
113.00887	4.2
113.53230	3.3
115.02430	2.9
116.03452	5.1
118.03569	3.2
119.01925	16.6
120.01958	1.7
121.01700	1.7
122.53674	3.1
124.02454	8.2
126.51891	1.3
129.03958	1.4
131.01921	8.9
134.04562	3.3
138.04092	1.3
141.02710	1.6
142.03490	19.6
143.01921	3.5
143.03645	3.3
153.32857	1.2
154.03481	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03944	4.9
55.01876	18.9
55.05510	2.7
56.96558	6.4
62.79116	1.9
62.98258	2.5
65.03928	8.8
67.05495	7.8
69.03433	20.5
71.56446	2.4
79.05499	64.1
87.33083	1.8
91.05480	95.5
93.07045	22.9
94.04074	2.5
95.04961	10.5
105.04507	3.7
105.07030	38.8
107.04957	14.5
107.07864	4.4
107.08597	82.7
109.06503	18.9
115.05453	30.6
117.07038	25.8
119.03551	6.2
119.06099	11.2
119.08579	3.0
120.05779	3.5
121.01501	2.4
131.29567	2.6
135.04427	16.1
135.05539	5.9
135.06519	4.6
135.08063	77.3
135.09105	4.3
135.11711	9.8
136.02176	31.3
136.03970	3.9
136.06190	100.0
136.07510	7.5
137.04579	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02392	0.5
53.03938	2.1
53.81190	0.5
55.01873	0.7
55.05513	3.1
56.96554	1.0
67.05484	0.7
69.63594	3.4
72.11802	0.5
74.02441	2.4
77.03931	0.5
79.05496	5.9
83.92213	0.5
87.05579	1.2
88.02226	0.6
91.05482	20.2
91.45608	0.5
93.07050	3.9
95.04954	0.7
103.05482	3.0
105.03416	0.7
105.07034	60.8
107.08601	0.7
115.05468	5.8
117.07014	4.0
118.07813	5.8
123.07954	1.1
131.08559	8.0
133.02849	1.4
133.06531	7.0
133.10135	100.0
134.06001	0.7
134.10478	1.3
135.08037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
54.53038	0.6
55.05506	1.8
64.97696	0.6
67.05479	0.6
69.50508	3.8
74.02444	0.6
79.05498	3.8
79.05885	0.6
79.61987	0.4
84.37141	0.5
86.96430	0.5
91.05486	12.5
93.07053	4.6
95.04967	1.1
103.05475	1.4
105.07037	35.9
105.10613	0.6
107.08591	1.2
115.05468	4.7
116.06195	0.7
117.07026	6.0
118.07803	6.1
131.08562	5.5
133.10138	100.0
134.10461	2.4
143.75612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03949	1.6
55.05509	1.5
62.63863	0.7
64.22898	0.6
69.88052	2.2
69.88457	1.5
79.05505	4.5
91.05487	13.4
93.07032	5.0
93.33071	0.6
95.05003	1.0
98.21387	1.3
103.05472	1.5
105.07040	46.4
105.54941	0.7
115.05471	4.7
116.06265	0.8
117.07047	5.0
118.07813	6.1
131.08585	5.3
133.06506	1.9
133.10143	100.0
134.10507	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	L-Aspartic Acid
Peak:m/z	Relative Intensity
50.41428	0.8
66.58641	0.7
69.38556	1.7
69.38956	5.4
70.02962	6.1
70.06643	0.8
74.02448	100.0
79.05500	0.8
88.03999	54.6
116.03465	6.3
134.04520	3.7
134.06058	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01870	6.0
56.93147	2.3
56.96550	3.1
57.03440	52.1
58.67733	2.5
60.29037	2.4
61.02912	3.9
65.52174	3.7
68.98306	3.5
69.03422	12.3
69.66752	13.7
69.84705	2.6
70.99859	5.8
71.02980	4.5
71.04971	3.9
72.52984	19.5
73.02921	8.3
77.52178	14.1
78.02248	3.5
78.52959	11.5
79.02172	6.0
79.05514	3.0
80.52698	4.0
81.03413	11.0
81.53486	5.0
82.01054	2.4
82.01457	27.3
82.99830	10.2
83.01515	3.9
85.02912	8.5
85.51915	3.7
85.53719	9.5
86.52708	100.0
87.02772	12.0
88.02699	15.5
90.52930	3.4
92.52680	7.4
93.01882	7.7
94.54240	3.3
95.53235	40.8
96.03274	6.8
97.01398	4.2
98.03490	4.9
99.04459	2.8
99.53465	11.2
100.02493	49.7
100.52414	4.1
101.00886	60.7
101.02570	4.5
101.53204	5.9
102.00945	6.5
102.02425	14.0
102.52531	3.1
102.75068	3.0
103.02427	5.9
104.52715	3.5
108.53964	5.0
109.02869	3.2
110.54550	3.6
111.02943	15.5
111.55247	3.2
113.00854	19.9
113.53188	6.4
115.02436	10.6
118.03520	12.1
119.01929	66.2
120.02027	8.5
121.01659	5.5
122.53708	5.1
124.02461	28.9
125.02642	3.9
128.01930	4.9
128.49496	5.6
129.03957	3.5
131.01926	34.4
132.02036	5.3
133.03477	5.2
134.03665	3.0
134.06059	3.1
136.02394	4.2
137.02956	5.0
137.17622	2.4
137.50006	5.1
138.00114	4.8
139.02531	2.8
141.02664	3.7
142.03505	78.0
143.01924	15.6
143.03590	12.3
144.03244	3.1
145.03467	6.5
147.01344	3.4
147.04982	3.0
154.03467	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73855	0.3
51.02411	0.5
52.02748	0.5
53.03974	1.1
54.04305	1.1
55.01896	0.4
56.02230	0.4
56.96592	0.8
67.05530	1.5
67.92680	0.3
68.05863	1.5
70.09669	1.3
70.10018	0.5
77.03950	0.9
78.03522	0.3
78.04279	2.7
78.04734	7.0
78.06347	1.2
80.05036	0.6
82.01466	1.2
82.99848	4.9
83.01488	2.1
84.01224	0.5
84.08149	0.5
95.04980	1.0
96.05314	3.2
98.01258	0.3
98.21432	0.4
100.02476	1.9
101.00890	51.4
101.02567	4.6
102.02234	0.5
103.74177	0.3
106.03658	3.5
106.04800	0.6
111.00430	0.5
117.10261	0.8
118.03506	0.4
119.01929	100.0
120.02016	1.4
123.04419	0.5
124.03935	5.6
124.04742	42.3
124.07571	1.2
137.02966	17.8
137.04012	0.9
142.03510	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	125.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97657	1.7
55.05314	1.7
55.05515	19.9
57.07060	5.1
57.15733	2.1
59.82516	2.1
67.05503	2.2
69.07072	100.0
70.07405	1.9
71.56436	1.9
82.06574	8.2
83.06122	2.0
83.08211	2.4
83.08630	25.8
91.19791	2.1
108.04497	4.8
125.04325	3.9
125.07143	4.9
125.08309	3.3
125.09069	17.5
125.10763	10.4
125.11533	2.0
125.45854	1.8
126.05495	5.9
126.09189	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	130.0501
Annotation	5-Oxo-D-proline
Peak:m/z	Relative Intensity
54.77355	0.2
56.05039	6.3
56.05320	0.3
56.96566	0.6
57.03434	0.4
62.96513	0.2
67.05505	0.5
69.03432	11.3
69.07078	1.4
70.06597	7.1
71.02884	0.5
71.03233	0.3
71.05007	0.7
72.08155	0.7
82.06586	0.7
84.04510	100.0
84.08146	74.7
85.02908	3.1
85.04859	0.4
85.08491	0.7
86.09722	0.4
90.70368	0.2
95.01354	0.3
98.97616	0.5
101.00889	0.3
102.05545	1.6
112.07612	36.4
114.09187	0.8
116.98609	0.3
119.01837	0.3
130.05013	14.7
130.06573	0.8
130.08646	28.4
130.12300	0.6
130.15921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.06215	0.6
54.92185	0.5
70.84278	1.2
70.84625	0.8
79.05495	1.3
84.08131	0.5
86.06078	0.5
86.09709	2.2
91.05467	1.9
96.75584	0.6
104.05019	0.9
105.07027	6.3
115.05464	12.8
117.05771	37.5
118.06149	0.6
130.06540	5.9
130.79553	0.5
131.07329	4.0
132.04469	2.2
132.08101	100.0
133.08444	1.5
143.06071	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.96573	0.6
57.03414	0.3
58.06596	0.4
61.67241	0.2
69.07072	12.2
69.47037	0.8
69.47462	0.9
69.96172	0.3
70.06240	0.2
70.06616	0.2
71.92334	0.2
73.06570	0.3
86.09711	100.0
87.10046	0.9
88.73444	0.2
98.97576	0.4
106.32376	0.2
107.92072	0.2
131.96185	0.4
132.10205	1.6
139.36829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.061
Annotation	L-Asparagine
Peak:m/z	Relative Intensity
55.01877	0.9
55.11103	0.6
56.05039	1.1
56.96558	1.0
57.03423	0.6
59.52169	0.6
60.04527	1.3
60.77385	0.7
64.05688	0.6
70.02959	5.8
70.06606	1.5
71.04998	1.0
73.02914	0.7
74.02447	100.0
74.06085	1.3
80.18329	0.7
82.01423	0.8
84.01588	0.9
86.52717	0.8
86.57024	0.6
87.02732	0.7
87.05599	38.1
87.10075	1.0
88.04000	12.6
89.23503	0.6
94.93639	0.6
98.02463	0.8
98.06079	1.2
100.02530	1.0
105.07073	0.9
109.40720	0.6
116.03466	11.8
116.07131	0.6
119.01912	0.9
133.03488	1.8
133.06076	6.6
134.31363	0.7
145.25325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.05505	3.8
56.96556	1.7
57.07067	3.8
64.02343	0.9
67.05167	1.9
67.05508	22.0
67.46633	1.2
69.07064	2.9
70.80535	2.3
70.80852	1.0
73.97913	0.9
78.03447	1.8
79.01862	2.3
79.05502	15.7
80.05017	11.8
81.07062	100.0
82.01457	7.9
82.07346	1.1
86.12908	1.0
87.60718	1.2
93.07056	2.7
95.01369	1.0
95.04970	6.8
95.08620	14.4
96.04496	4.5
100.02485	19.6
108.07669	1.4
118.03530	5.3
121.10110	1.5
123.04465	6.0
123.05554	49.3
123.08049	7.8
123.10033	1.7
123.11704	22.3
124.03950	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.2
51.01909	0.2
51.02365	0.8
52.02716	1.2
53.03949	1.7
54.04288	2.7
54.42275	0.2
55.01868	0.9
56.02207	0.4
56.96558	0.4
57.03416	0.3
58.06592	0.2
58.99866	0.3
59.07375	0.3
60.08131	0.2
65.03941	0.3
66.04279	0.3
67.05503	1.8
68.05843	3.9
69.38280	0.2
69.90692	1.1
70.99848	0.7
72.08165	0.3
73.52039	0.2
75.01868	0.3
77.03931	1.2
77.08710	0.2
78.03477	0.5
78.04259	7.2
78.04713	4.4
78.06327	1.0
80.05016	2.6
81.03413	0.3
82.01453	1.1
82.99842	2.9
83.01511	3.4
84.01208	0.6
84.08153	0.5
89.00902	0.5
95.04956	1.4
96.04487	1.0
96.05299	6.3
96.08170	0.3
100.02481	2.4
101.00887	27.4
101.02554	7.6
102.00963	0.4
102.02257	1.2
105.04549	0.3
106.03716	9.2
106.04746	1.5
107.03348	0.4
107.04948	0.3
112.66462	0.2
113.03954	0.2
117.02290	0.3
117.10266	0.6
118.03555	0.7
119.01928	62.5
119.03613	3.1
120.02015	0.9
120.03259	0.3
123.04422	0.5
124.03954	14.2
124.04762	100.0
125.04984	0.4
137.02962	11.5
142.03514	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67791	0.9
58.99854	1.8
66.09816	0.8
70.21507	3.7
73.26691	0.7
82.01450	53.4
82.99845	1.0
83.01470	0.9
98.21363	1.2
100.02488	100.0
101.00295	0.9
101.00867	5.8
101.02522	0.9
118.03530	27.7
119.01929	13.9
123.04057	1.2
137.02966	1.6
142.03563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.7
51.02385	2.5
53.03947	4.1
54.44750	0.2
55.01867	0.9
65.03937	1.0
67.05510	5.5
69.67023	1.0
77.03932	7.9
81.03393	0.3
82.01460	2.7
82.07987	0.3
95.04975	7.8
98.20732	0.3
100.02488	4.7
105.03401	9.3
105.04475	2.0
106.41261	0.2
118.03549	1.1
119.01920	0.3
123.04435	100.0
124.04762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01596	0.5
51.02383	2.1
53.03952	3.3
55.01882	0.8
56.56960	0.2
60.26808	0.2
65.03957	0.8
67.05510	4.4
70.14491	0.3
70.14876	0.3
77.03934	7.9
81.03413	0.3
82.01433	0.4
85.45332	0.1
95.04975	6.5
100.02494	0.9
105.03402	10.1
105.04462	1.7
118.03493	0.4
121.84592	0.1
123.04436	100.0
124.04769	0.8
138.95015	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.05498	3.5
56.47156	1.1
57.01464	1.0
57.07073	2.8
61.59720	0.9
65.03934	1.3
67.05170	1.6
67.05506	23.0
69.07066	2.2
71.56836	1.0
77.03918	1.0
78.03473	1.6
79.01859	2.8
79.05498	14.1
80.05018	18.4
81.07061	100.0
82.01443	10.2
82.07381	1.1
84.15251	1.1
88.02380	1.2
93.07061	2.8
95.01299	1.1
95.04994	7.4
95.08616	13.4
96.04494	5.8
100.02491	22.3
106.02870	1.3
106.07372	1.7
108.07663	1.1
118.03525	7.9
123.04459	7.8
123.05555	70.1
123.08073	7.8
123.10043	2.7
123.11723	24.3
124.03987	7.0
141.04980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	122.0967
Annotation	Phenethylamine
Peak:m/z	Relative Intensity
52.45387	0.2
53.03923	0.4
57.41253	0.2
70.32179	0.5
70.32533	0.3
77.03925	0.3
79.04202	0.2
79.05494	4.0
80.18498	0.2
86.98259	0.2
95.04971	0.5
98.20835	0.2
103.05480	2.8
103.53481	0.2
105.07033	100.0
106.06705	0.2
106.07352	1.2
107.07336	0.8
122.09680	1.9
123.05537	0.3
127.51801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63479	0.7
58.99841	1.0
65.15054	0.7
65.83791	0.8
69.59053	0.8
70.75231	2.1
82.01447	55.0
100.02487	100.0
101.00887	7.7
101.02509	1.6
103.44521	0.9
118.03529	25.8
119.01925	13.6
123.04048	1.1
137.02997	1.2
142.03554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38613	2.8
59.52194	4.9
60.38420	2.8
61.76051	2.8
63.27707	2.6
67.05470	3.9
69.03082	3.8
69.03430	50.3
71.02982	8.1
71.54397	4.8
72.86297	3.1
76.82645	2.8
78.52948	5.1
82.01448	39.5
82.99830	6.9
83.01522	4.3
85.53738	5.8
87.53487	6.3
91.05477	6.2
93.53477	10.3
100.02493	59.4
101.00894	45.6
101.02565	10.1
102.02208	3.5
103.02425	3.6
107.53204	6.8
115.02450	4.0
115.38895	2.8
118.03557	15.4
119.01927	100.0
119.03671	4.5
129.04048	2.8
133.03488	5.8
137.02959	23.5
138.03973	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	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
67.06894	0.5
69.42165	0.4
70.60294	1.5
71.90302	0.4
77.03937	0.7
91.05489	7.1
92.04999	0.6
93.07050	11.1
95.04969	2.0
102.04751	0.5
103.05476	52.2
105.04525	1.1
118.06557	1.4
119.07325	0.9
120.08114	100.0
121.06533	2.8
121.08475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.0
53.03704	0.9
53.03951	17.7
55.01866	2.3
65.03922	0.7
69.69793	0.5
71.02305	0.9
77.03926	5.4
79.05524	0.6
81.03429	1.6
91.05487	47.9
92.05795	0.7
93.07049	48.6
95.04976	14.4
102.04729	0.6
103.05474	63.7
104.05692	0.5
105.04516	8.1
120.07586	0.6
121.06513	100.0
122.06848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01591	0.6
50.91819	0.3
51.02386	1.8
53.03953	17.1
55.01869	2.1
59.27384	0.3
65.03939	1.4
65.59660	0.3
65.84866	0.3
65.85266	0.3
70.90909	0.7
70.91261	0.4
77.03931	5.1
78.04716	0.6
79.05480	0.6
81.03432	1.9
85.52086	0.4
91.05489	49.7
93.07053	53.6
94.04200	0.4
95.04979	18.5
102.04711	1.1
103.05476	68.2
104.05797	0.4
105.04524	7.8
119.05057	0.5
121.06513	100.0
122.06841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0702
Annotation	INDENE
Peak:m/z	Relative Intensity
50.01582	0.3
53.03942	0.3
57.03444	0.3
58.87613	0.2
63.02349	0.3
69.03427	3.2
70.06576	0.3
71.04982	0.6
71.06921	0.9
71.55582	0.2
72.04511	0.4
72.08161	1.0
73.02906	0.4
80.59848	0.2
89.03928	0.3
91.05483	20.4
92.05790	0.3
95.04943	0.3
99.04444	0.4
115.05458	50.6
115.54316	0.2
116.06346	1.1
117.07018	100.0
118.06573	0.4
118.07342	1.1
127.04123	0.2
134.97162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02377	1.8
53.03750	2.0
53.03948	22.2
55.05502	6.8
56.96559	7.5
58.06594	2.3
61.98781	1.7
69.03414	1.8
69.90676	6.3
69.91084	3.3
70.03743	2.7
70.06575	3.4
72.08157	50.5
76.93375	9.5
77.03922	4.4
81.03423	2.5
87.04446	1.9
91.05480	27.3
94.94429	2.8
95.04971	23.1
96.11571	1.5
98.20827	3.0
100.07601	2.1
104.52868	1.6
105.04522	11.7
117.05763	2.8
117.95937	2.3
118.06548	100.0
118.08652	7.4
119.08558	2.1
121.61548	1.6
127.84253	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0867
Annotation	L-Valine
Peak:m/z	Relative Intensity
50.83371	0.2
53.03966	0.9
55.05517	15.7
56.05053	0.2
57.05825	1.1
58.06602	0.3
58.73232	0.2
67.03649	0.2
69.03432	0.2
70.06588	0.4
71.37570	0.2
71.37888	0.3
72.08161	100.0
73.08495	0.6
82.01434	0.6
84.08167	0.3
91.05493	0.8
95.05013	0.4
100.02483	1.1
100.07626	0.2
101.02478	0.2
106.05058	0.9
106.55077	0.2
112.07599	0.5
118.06549	1.1
118.08670	2.4
127.74235	0.2
131.39633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
94.54019	0.0
100.15961	0.1
137.88585	0.0
183.09164	0.1
195.09007	0.1
196.09741	0.1
197.10728	0.1
207.09100	0.1
209.10762	0.1
211.12305	0.1
221.10745	0.1
222.11467	0.0
223.12334	0.1
225.13890	0.1
237.13771	0.1
286.13419	0.1
287.14511	0.1
314.12921	0.1
314.16443	0.1
322.12973	0.1
324.14902	0.1
326.16580	0.1
328.17795	0.1
336.15262	0.1
338.16443	0.1
345.63370	0.1
358.07562	0.1
373.14313	0.1
374.19058	0.1
376.18124	0.1
377.17816	0.1
386.16513	0.1
387.16208	0.2
388.16684	0.2
389.17621	0.6
390.18628	0.2
391.19272	0.1
392.20013	0.1
401.17725	0.2
402.18442	0.5
403.19186	1.6
404.19986	0.8
405.15860	0.1
405.20755	1.3
406.21375	0.2
407.21945	0.1
414.18994	0.1
415.19800	0.3
416.15808	0.2
416.19971	0.5
417.16544	0.6
417.21350	2.4
418.21899	1.1
419.22375	2.8
420.22723	0.2
421.23932	0.2
429.16336	0.1
429.21042	0.2
430.16925	0.4
430.22128	0.2
431.18195	5.9
432.18576	1.9
432.23889	0.4
433.24277	5.1
434.24704	1.1
442.20834	0.1
444.19202	0.4
444.23715	0.2
445.19958	7.9
446.20734	4.2
447.21683	4.5
448.22778	0.3
449.23419	0.5
458.20950	0.2
459.21402	2.9
460.22549	8.0
461.23294	6.6
462.20239	0.2
462.23727	0.4
463.20917	0.3
464.22058	0.2
472.22519	0.1
473.23898	1.9
474.24429	0.5
475.25806	0.1
476.26691	0.4
477.22260	0.8
478.23312	0.1
487.25336	0.9
488.26044	0.1
489.19055	0.2
489.27261	0.4
490.19464	0.1
490.24530	0.1
491.25256	0.8
492.25278	1.2
493.25879	0.1
501.22476	0.1
503.24402	0.1
504.22003	0.2
505.22037	4.4
506.22266	0.2
507.27243	0.1
515.24408	0.2
517.25989	0.1
518.23090	0.5
519.23767	0.7
520.24658	0.2
521.21295	0.1
532.21478	0.1
533.25470	30.0
534.25854	1.6
535.23309	0.1
547.27264	0.4
549.20911	0.1
550.25635	0.2
551.26465	0.2
561.25085	0.5
563.22729	0.1
564.23669	1.1
565.28400	0.9
575.26575	0.5
578.25360	0.3
592.26929	0.5
593.27539	100.0
594.27856	5.0
594.35974	0.1
836.10510	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00323	0.4
53.03951	5.0
55.05513	7.2
65.03938	3.6
67.05507	100.0
68.05836	0.5
69.07068	3.6
69.59917	1.8
69.60332	0.6
74.99827	0.4
77.99951	1.2
79.05492	6.1
80.06281	1.0
81.03422	8.1
81.07058	24.4
86.00703	3.1
86.50642	1.2
87.00471	7.2
91.05497	1.6
94.07835	1.1
98.20817	0.7
98.51249	0.5
107.08610	3.0
109.02863	2.4
109.06525	3.4
109.07657	0.8
109.10159	44.5
110.06043	1.7
111.96848	0.8
113.96429	2.1
129.98006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
53.03959	0.9
55.05516	28.1
57.07072	1.8
58.06606	1.1
67.05506	1.5
68.05035	0.6
69.07074	100.0
70.03663	2.7
83.06113	1.1
88.00516	1.6
98.20815	1.0
111.04468	1.4
111.05590	4.2
111.06406	2.2
111.09219	2.9
111.09918	0.7
111.11741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.071
Annotation	D-Proline
Peak:m/z	Relative Intensity
53.85267	0.1
55.01869	0.8
56.05037	1.7
56.96557	0.8
57.03430	0.1
68.05022	0.3
69.03461	0.1
70.02960	0.5
70.06595	100.0
70.96252	0.3
71.04995	0.2
71.06923	0.5
74.02444	1.1
78.52981	0.2
82.01445	0.3
84.01205	0.2
84.04508	1.3
86.59725	0.1
88.04002	0.4
88.07660	0.2
90.01552	0.2
93.53477	0.2
94.52402	0.1
95.01322	0.2
98.06066	1.0
98.07201	0.4
98.97608	0.2
99.00822	0.4
100.02495	0.5
101.00870	0.2
102.02240	0.2
109.02875	0.1
115.05452	0.2
116.03445	0.5
116.07096	16.2
116.08147	0.5
116.10768	0.4
118.03574	0.1
119.01933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.6212
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	1.5
81.03407	0.5
81.06650	0.2
81.07065	2.4
83.08598	0.3
85.02901	1.6
86.09698	0.2
91.03941	0.6
91.05481	29.1
92.05807	0.3
93.07039	1.5
95.04983	0.4
95.08624	1.7
97.02908	1.7
97.06520	0.2
99.04448	0.2
101.02377	0.3
105.07021	0.4
106.06555	1.7
106.07175	0.2
107.07296	0.3
107.08591	0.8
107.60485	0.2
107.82387	0.2
107.98436	0.2
109.02876	0.2
109.06508	1.1
109.10136	0.6
117.05753	0.6
117.07021	0.2
118.06544	3.2
119.04943	10.4
119.08607	0.3
120.08122	0.3
121.10154	0.5
123.11702	0.2
127.03931	0.4
130.06569	0.6
131.07309	2.2
132.08089	1.4
133.08894	0.2
133.10121	0.3
134.09669	0.6
135.10478	0.2
135.11745	0.3
136.11243	0.2
137.05978	24.9
138.06354	0.3
144.08051	0.4
145.10104	0.3
146.09642	2.2
148.11218	0.3
149.13252	0.3
160.07556	0.2
160.11208	3.2
161.11978	0.3
161.13206	0.2
162.12776	0.3
172.11234	0.6
173.11964	0.2
174.12830	0.7
186.12859	0.2
200.14346	0.3
202.15923	0.3
244.20627	4.4
272.20087	42.8
273.20511	0.7
290.21143	10.0
291.21750	0.2
328.22708	0.3
335.25803	3.2
346.23764	8.1
364.24814	6.5
426.26401	8.8
427.69363	0.2
483.61929	0.2
508.29382	0.3
529.13898	0.2
606.45111	2.1
624.46234	5.7
760.51685	0.7
806.39447	0.7
922.56854	2.1
1084.62085	100.0
1085.62500	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	1089.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
76.53532	0.2
78.80447	0.2
79.05445	0.2
91.05447	0.2
95.08582	0.2
149.31650	0.2
170.29417	0.2
220.98882	0.2
294.71628	0.2
303.18250	0.2
384.77774	0.2
397.13110	0.7
398.14011	0.4
399.14474	0.2
409.13159	0.5
410.13892	1.4
411.14526	2.7
412.15289	2.0
413.15894	1.5
414.16583	0.3
423.15213	0.9
424.11203	0.8
424.16391	1.5
425.16284	5.8
426.17023	4.1
427.17490	1.4
428.18344	0.8
435.14624	0.3
437.11496	0.4
437.16556	0.5
438.12100	1.6
438.17584	0.7
439.13516	8.2
440.13544	0.5
440.19058	3.3
441.19324	20.9
442.19656	1.7
451.13632	0.4
452.14230	2.0
453.15363	9.5
454.16046	2.7
455.16544	0.2
457.15060	0.4
458.15952	0.3
463.13852	0.6
464.14658	0.2
465.15775	0.5
466.16458	0.6
467.17270	16.2
468.17902	7.5
469.18884	8.6
470.18640	0.6
471.16605	0.4
472.17090	0.2
477.15445	0.2
478.15909	0.4
480.15292	0.6
481.14795	10.3
482.15308	2.3
483.16473	0.4
484.17758	0.2
485.18082	0.7
486.19220	0.2
494.16678	0.3
495.16428	6.9
496.17087	13.9
497.17969	2.4
498.19186	0.3
499.19373	0.9
500.20428	0.3
508.19165	0.4
509.18387	1.3
512.20569	0.4
512.55420	0.2
513.20355	0.3
514.22662	1.9
522.17853	0.6
523.19946	1.0
526.18329	0.3
527.23535	2.4
528.20880	0.3
536.19470	0.4
537.18750	0.6
538.18597	0.2
539.19440	0.2
540.20142	0.4
542.21692	0.6
545.24084	0.3
551.19086	0.4
555.22443	20.1
556.22601	1.3
568.19464	0.5
583.21936	61.6
584.22186	4.9
586.20886	0.4
587.25067	1.2
600.21826	0.3
610.20441	0.2
611.21143	1.5
614.23865	0.7
615.14886	0.4
615.24536	5.6
616.25214	0.3
642.23285	8.6
643.23932	100.0
644.24054	6.1
857.18170	0.2
1077.41089	0.2
1088.65503	0.2
1089.64783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.6209
Annotation	Unknow
Peak:m/z	Relative Intensity
78.19512	0.1
79.05500	1.0
81.03402	0.6
81.07063	1.9
81.28754	0.1
83.08601	0.1
85.02905	1.5
91.03967	0.9
91.05480	29.0
92.05824	0.2
93.07054	1.0
95.04971	0.2
95.08621	0.8
97.02892	1.5
99.04429	0.2
100.22057	0.1
101.02383	0.5
103.03942	0.2
105.07027	0.5
106.06567	0.2
107.07351	0.2
107.08591	0.4
108.08114	0.1
109.02866	0.2
109.06514	1.0
109.10142	0.4
111.93504	0.1
115.03922	0.1
117.05758	0.6
118.06541	3.4
118.07341	0.2
119.04942	11.1
119.08607	0.3
119.57578	0.1
121.10164	0.3
127.03908	0.4
130.06508	1.1
131.07307	1.2
131.08292	0.1
132.07114	0.1
132.08081	2.3
133.08870	0.3
133.10146	0.1
135.11691	0.3
137.05978	25.1
138.06273	0.2
144.08122	0.5
145.08900	0.2
146.09651	1.4
147.10490	0.3
147.11649	0.1
158.09639	0.2
160.11168	0.8
172.11270	0.2
174.12817	0.4
186.12799	0.1
188.14389	0.2
202.15945	0.3
229.87033	0.1
244.20596	1.3
268.13361	0.6
272.20090	30.3
273.20523	0.6
283.85156	0.1
290.21152	11.0
291.21466	0.2
315.03061	0.1
326.38901	0.1
328.22632	0.3
330.24445	0.3
335.25745	1.1
346.23782	3.3
360.05258	0.8
364.24811	11.3
365.25232	0.2
370.10471	0.2
396.25458	0.2
426.26413	11.1
427.26788	0.3
482.28848	0.2
606.45184	1.4
624.46228	7.6
625.46814	0.3
644.34680	0.3
663.31903	0.2
691.40106	0.5
760.51923	1.0
806.39227	1.3
886.58447	0.2
922.56781	2.8
963.21216	0.2
965.48914	0.2
1084.62109	100.0
1085.62451	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	1084.6208
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05498	2.0
80.70402	0.2
81.03413	0.5
81.07051	2.4
83.08644	0.2
85.02908	1.5
87.04468	0.2
91.03985	0.7
91.05486	29.8
92.05830	0.2
93.07042	1.5
94.04164	0.2
95.04970	0.3
95.08606	1.8
97.02912	1.7
99.04460	0.4
101.02388	0.6
105.07024	0.6
106.06567	1.6
106.13382	0.1
107.07360	0.2
107.08590	0.9
107.09270	0.2
108.08160	0.2
109.02857	0.2
109.06544	1.2
109.10171	0.7
117.05762	0.5
118.06551	3.2
119.04951	10.8
119.08603	0.3
120.05251	0.2
120.08120	0.2
121.10135	0.7
123.11731	0.2
127.03944	0.4
130.06523	0.6
131.07332	1.8
131.08307	0.2
131.08626	0.1
132.08107	1.7
133.08908	0.3
133.10086	0.3
134.09674	0.6
135.11679	0.3
137.05984	27.2
138.06351	0.2
144.08058	0.3
145.08949	0.2
145.10130	0.3
146.09641	1.8
147.10532	0.2
147.11705	0.2
158.09721	0.3
160.11234	2.9
161.13246	0.2
162.12813	0.1
172.11278	0.5
173.12009	0.2
174.12839	0.5
180.20877	0.1
186.12804	0.2
188.14371	0.3
202.15913	0.3
244.20639	3.7
258.12622	0.2
260.20142	0.2
272.20102	38.6
273.20480	0.8
282.14911	0.4
290.21158	10.9
291.21631	0.2
323.67828	0.2
328.22949	0.2
335.25800	3.3
346.23779	5.4
346.28046	0.3
364.24829	8.2
365.25143	0.2
426.26413	10.3
427.27063	0.4
434.25955	0.2
482.29553	0.3
606.45392	1.4
624.46210	6.1
625.47089	0.3
644.34070	0.4
691.40405	0.7
760.51776	0.8
765.92883	0.2
774.63574	0.2
806.39380	0.5
922.56787	2.3
1084.62134	100.0
1085.62488	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	1070.5902
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04491	3.4
79.05494	3.9
81.03401	1.3
81.07059	13.0
83.04486	0.6
83.04980	8.5
83.08620	3.3
83.21138	0.4
85.02905	51.4
86.06057	0.8
87.04465	0.7
91.03953	0.6
91.05479	4.5
93.07047	10.1
95.01331	4.3
95.04974	0.7
95.08609	30.6
96.08907	0.5
97.02899	5.0
97.10182	2.4
99.04455	0.9
101.02381	9.2
103.03941	1.0
105.07034	10.8
107.08597	16.9
109.02872	1.7
109.10158	16.8
111.04443	9.6
111.11705	2.0
113.02386	1.1
115.05421	0.7
117.07013	1.4
119.08587	13.1
121.10141	15.9
123.00759	0.5
123.11711	9.5
127.03921	31.6
129.05481	17.4
129.06926	0.7
131.08609	2.9
133.10141	11.5
135.10664	0.9
135.11693	10.4
137.13243	5.9
141.01840	13.0
143.08611	1.1
144.09373	0.5
145.04961	27.9
145.10126	5.3
146.08086	0.9
147.06525	11.1
147.11685	9.2
149.13257	8.2
151.14816	1.0
157.10158	1.3
159.02884	4.4
159.11713	7.2
161.13258	7.9
163.06009	2.2
163.14835	5.3
164.09187	1.3
165.07585	0.6
171.11711	1.3
173.13234	3.8
175.14833	5.6
177.04047	0.6
177.16382	10.9
179.17970	1.5
183.11548	0.5
185.13293	1.2
187.14847	5.2
189.16405	8.8
191.17953	11.1
199.14803	1.6
200.28703	0.5
201.16386	11.1
203.17961	12.6
205.19551	3.2
207.17390	1.3
213.16403	1.6
215.17995	6.1
217.19525	13.0
218.19858	0.6
219.21085	1.9
219.24919	0.4
220.09583	0.6
227.17969	2.4
229.19499	6.6
231.08661	0.6
231.21112	3.3
237.07626	1.4
239.18143	0.5
241.19547	2.2
243.21054	2.3
245.22658	1.4
255.08601	1.5
255.21141	3.6
257.22641	3.1
269.06488	1.2
269.22672	5.2
271.24249	1.3
273.09775	3.1
283.24173	1.3
285.06000	0.6
287.07562	2.5
291.10645	0.6
297.25769	2.0
303.07114	0.8
305.08594	5.3
309.11774	4.2
311.27423	1.1
321.08237	2.2
323.09708	2.1
323.27444	0.5
337.29022	1.1
351.30536	0.7
365.31976	0.6
383.20770	0.7
407.36734	100.0
408.37067	3.0
425.37808	6.9
544.45856	0.5
551.41028	1.0
592.26501	0.5
595.90778	0.5
596.00177	0.5
601.40668	1.1
800.34259	0.5
1052.58765	0.9
1070.60876	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41927	0.4
51.02372	1.0
53.03948	7.8
55.01867	0.6
60.79297	0.4
71.33904	0.8
72.63764	0.4
77.03928	3.4
79.05495	36.6
80.05855	0.4
81.03409	0.9
95.04970	7.4
103.05473	27.6
105.04545	3.7
105.07033	100.0
106.07341	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02376	0.7
53.03952	8.9
57.80700	0.4
67.23330	0.4
69.84487	2.3
77.03936	3.1
79.05499	36.8
81.03432	0.6
95.04977	7.4
103.05478	27.6
105.04569	3.6
105.07037	100.0
106.07372	1.0
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
51.06072	0.2
52.00721	0.2
53.08120	0.2
58.06596	3.1
59.07382	0.8
60.08165	33.8
60.39571	0.2
69.03430	1.3
69.98533	1.0
81.49984	0.2
83.77219	0.2
86.06075	1.4
87.04472	4.0
104.10748	100.0
107.87729	0.2
109.75783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28720	0.3
58.06603	5.0
59.07375	1.0
60.08166	37.5
68.05962	0.4
69.03432	2.4
70.67921	0.4
70.68260	0.8
73.04086	0.3
86.06050	1.9
87.04475	7.0
91.11050	0.3
104.07130	0.9
104.10748	100.0
104.49142	0.4
109.00919	0.3
122.98747	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02910	1.5
75.04489	2.3
79.05489	3.3
81.03411	1.2
81.06579	0.8
81.07060	16.7
83.04986	8.9
83.08637	4.4
85.02910	43.1
87.04472	1.0
89.02426	0.5
91.04009	0.6
91.05490	3.7
93.07058	10.1
95.01350	3.5
95.04977	0.7
95.08613	30.0
97.02893	4.8
97.10188	2.1
99.00831	0.5
99.04441	0.9
103.03958	0.7
105.07034	9.0
107.04903	0.6
107.08604	15.0
109.02870	1.1
109.10162	17.6
111.04452	10.0
111.11703	1.1
113.02380	0.6
117.07018	1.1
119.08591	11.1
121.10153	16.2
121.11035	0.9
123.11717	9.7
127.03940	3.5
129.05484	19.9
130.44814	0.4
131.08556	3.0
133.10144	10.8
135.11703	9.5
137.05933	0.7
137.13261	8.1
141.01845	13.0
143.03391	0.4
143.08556	1.6
145.04959	5.7
145.10144	4.6
146.08086	0.7
147.06531	13.6
147.11699	7.3
149.13271	7.5
151.14812	0.9
157.05083	0.6
157.10161	1.8
159.02921	5.2
159.11705	6.1
160.12112	0.4
161.13255	8.2
163.06010	2.9
163.14833	5.3
164.09189	1.4
165.07584	1.0
169.10336	0.4
171.06506	0.7
171.11679	1.4
172.12492	0.5
173.13269	4.7
175.14851	6.1
177.04013	0.5
177.16397	9.5
179.17970	1.3
185.13271	1.8
187.14821	5.4
189.16396	7.6
191.17966	9.4
199.14801	1.8
201.16377	7.4
203.17973	10.8
205.19533	4.2
207.17448	1.3
213.16409	2.1
215.17961	6.4
217.07158	1.2
217.19524	9.4
219.21089	1.9
225.07739	0.5
227.18001	2.7
229.19513	6.5
231.05003	0.4
231.21149	3.2
233.19072	1.0
237.07597	0.9
239.17793	0.4
241.19511	1.9
243.08784	0.5
243.21051	4.7
244.55287	0.5
245.22723	2.1
253.19547	0.5
255.08675	1.9
255.21109	5.0
255.23517	0.6
256.21768	0.5
257.22690	4.8
269.06613	1.5
269.22650	5.3
271.24222	1.6
273.09723	3.8
279.03854	0.5
283.24258	1.6
287.07651	3.7
297.25900	1.2
305.08710	6.9
309.11835	7.0
321.08322	2.9
323.09744	3.5
337.28564	0.5
351.30685	0.5
405.35117	1.4
407.36746	100.0
408.37198	3.1
425.32205	0.5
425.37814	7.9
495.38440	3.2
527.40588	0.8
601.40741	1.1
724.12903	0.4
777.71051	0.4
1002.57214	0.4
1046.57104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93645	0.2
58.06598	3.1
59.07385	0.7
60.08168	32.5
69.03442	0.5
70.84037	0.5
71.03381	0.2
86.06086	0.5
87.04474	2.0
96.00247	0.2
96.46714	0.3
104.05788	0.4
104.10750	100.0
105.11061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01264	1.0
71.01630	0.3
71.04932	0.6
73.02831	5.7
77.03844	0.4
79.05404	9.9
79.05891	0.8
81.03413	2.3
81.06966	16.9
81.07493	1.3
83.04905	1.0
83.08605	1.9
85.02811	11.7
85.03362	0.8
85.06476	0.7
86.09631	0.4
87.04389	0.6
90.51550	0.3
91.03858	5.8
91.05385	8.4
93.07043	12.6
93.07580	0.6
95.04866	1.4
95.08611	13.7
95.09156	0.9
97.02895	10.9
97.06415	1.2
97.10092	1.3
99.04359	1.1
101.02387	2.3
103.03834	0.5
103.05450	0.8
105.04498	0.5
105.07028	4.5
107.08600	6.0
109.02776	1.0
109.06445	0.7
109.10153	5.7
111.08052	0.7
115.03807	0.6
115.05374	0.9
117.06927	1.5
118.06494	0.5
119.04847	0.5
119.08578	3.2
121.10145	5.9
123.07985	0.6
123.11709	1.7
125.09581	0.4
127.03920	2.6
129.06915	0.8
131.04927	1.8
131.08562	1.9
132.07974	0.6
133.06454	0.3
133.10133	1.8
135.11702	2.5
137.05960	2.8
137.09552	0.5
141.06924	0.4
143.04851	0.4
143.08447	0.6
145.04842	0.9
145.06372	0.7
145.10106	1.8
146.05873	0.5
147.04341	0.4
147.11565	1.2
147.79222	0.4
148.05145	0.8
148.07487	0.5
149.05965	2.4
149.09505	0.4
149.13145	1.3
155.08426	0.5
157.06454	0.8
159.11646	0.7
160.05127	0.6
160.07454	0.7
161.05984	2.6
161.13213	0.9
162.05537	3.4
163.07466	0.5
164.07072	15.5
171.08008	0.5
172.07512	0.9
173.05977	4.2
173.13165	0.8
175.06165	1.4
175.07494	1.8
176.07022	2.8
177.07854	26.0
178.08646	2.4
181.06572	0.4
187.07462	1.6
188.06993	0.7
189.07704	0.6
190.08640	8.7
191.09392	2.9
199.07500	0.5
201.09213	0.5
202.08530	1.5
203.09369	1.1
206.11652	0.5
214.08385	0.4
216.10068	0.5
221.43083	0.4
243.21042	0.5
256.16898	0.8
257.15280	0.5
261.22150	0.9
274.18030	25.6
284.16345	0.8
300.15802	1.2
302.17511	35.3
303.17526	0.4
305.15710	0.4
318.17160	0.6
320.18579	21.2
335.25815	23.9
336.26370	0.6
346.20074	1.4
358.20154	1.4
376.21216	9.3
392.20963	0.5
393.21426	1.2
394.22278	23.9
395.22516	0.6
420.24081	0.5
464.22836	0.9
562.38879	0.6
636.42322	0.9
654.43683	60.9
655.44183	1.6
657.18732	0.4
696.44855	0.6
698.46313	20.6
816.48926	34.5
817.49219	1.0
842.50470	1.0
860.51563	32.2
861.51453	0.8
960.53619	0.6
978.54236	48.1
979.54230	1.7
1004.55762	2.4
1022.56842	100.0
1023.56812	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.6466
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66808	0.7
71.04970	0.3
71.06104	0.2
71.08592	0.3
71.94898	0.2
73.02857	1.0
79.05511	1.1
81.03368	0.4
81.07058	1.4
83.08576	0.3
85.02840	0.8
91.03914	0.2
91.05485	1.2
93.07054	1.3
95.08622	1.2
95.09064	0.3
97.02848	1.0
99.04449	0.3
101.02322	0.5
105.07006	0.5
106.06556	1.6
107.04882	0.2
107.07336	0.2
107.08530	0.4
109.02795	0.3
109.10117	0.5
109.33063	0.2
117.05744	0.6
118.06555	3.9
118.24471	0.3
119.04897	0.4
119.08504	0.5
120.08039	0.5
121.10120	0.4
128.06184	0.3
130.06482	0.8
131.07315	2.1
131.08180	0.3
131.08511	0.2
132.08092	2.6
133.08820	0.6
134.09618	0.5
137.05942	0.3
144.08072	0.4
145.08881	0.3
145.10034	0.3
146.08676	0.2
146.09662	3.2
148.11188	0.3
152.05663	0.2
160.11220	3.4
162.12808	0.3
164.07039	0.8
172.11198	0.7
174.12714	0.7
188.14354	2.6
200.14342	0.3
202.15919	2.8
203.16747	0.4
216.17468	3.9
220.53941	0.2
221.67432	0.2
227.74214	0.2
230.19067	1.0
244.20613	4.5
258.22238	0.5
260.20297	0.3
272.20099	31.8
273.20441	0.4
286.25403	0.3
290.21155	5.3
330.27933	0.6
335.25903	1.1
342.20563	0.2
342.28302	0.3
346.23825	1.7
360.28979	43.1
361.29288	0.7
364.20764	0.3
364.24686	1.6
400.32196	1.1
416.31580	1.0
418.57532	0.2
477.43814	0.3
578.36609	1.2
624.46265	0.8
632.44916	0.4
662.88397	0.2
694.53979	2.3
740.42090	3.7
784.44055	0.3
820.45721	0.3
856.59503	6.4
936.46954	0.3
1000.57764	0.5
1018.64618	100.0
1019.64960	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	1016.5796
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01359	1.1
71.04999	14.0
71.08623	0.7
71.56030	0.8
73.02917	3.6
74.80959	0.5
75.04467	1.4
79.05505	3.6
81.03417	1.0
81.07063	14.9
83.04990	7.8
83.08624	3.7
85.02909	28.8
87.04460	0.6
91.03924	0.5
91.05480	3.6
93.07049	7.9
95.01332	1.9
95.04977	0.8
95.08612	28.9
97.02895	11.7
97.06533	0.5
97.10177	2.9
99.04456	0.6
103.03960	0.8
105.07037	9.2
107.08602	15.5
109.02854	0.7
109.10167	16.5
111.04438	7.4
111.11633	0.6
113.02380	0.9
115.03929	5.8
117.05519	0.6
117.07036	0.9
119.08584	10.3
121.10150	14.4
123.00842	0.4
123.11724	9.7
127.03920	0.9
129.05475	9.5
131.08575	3.3
133.04955	1.1
133.09232	0.8
133.10141	9.3
135.04378	0.5
135.11703	10.8
137.13258	8.8
139.03857	0.7
139.11139	0.5
141.01836	6.9
143.08621	0.8
145.10121	4.2
147.06525	5.1
147.11681	7.6
149.13261	8.5
151.14833	1.3
157.04953	1.3
157.10114	1.8
159.02882	3.8
159.11707	6.0
160.12329	0.5
161.13260	6.2
163.06021	0.9
163.14830	5.2
164.09258	1.0
165.07680	0.6
165.82104	0.5
171.06441	0.7
171.11696	1.4
173.13272	5.2
175.14841	5.5
177.16402	9.8
179.17944	1.1
183.11488	0.6
185.13301	1.6
187.14804	5.0
189.16400	8.3
191.17960	10.0
197.13258	0.6
199.06123	0.6
199.14818	1.6
201.16389	7.3
203.17952	12.4
205.19525	4.0
207.17412	0.9
213.16293	2.5
215.17941	5.6
217.07133	2.0
217.19504	9.0
219.17468	0.6
219.21068	1.4
225.07585	5.3
227.17888	2.5
229.19514	6.6
231.21071	3.8
233.19048	0.9
241.19502	2.2
243.08635	3.3
243.21092	4.7
245.22697	2.3
255.04935	0.8
255.21121	4.6
257.22623	4.6
261.09854	1.1
268.73767	0.5
269.06732	0.7
269.22684	4.9
271.24255	2.0
273.06055	1.3
279.10739	8.2
283.24249	2.0
284.49643	0.4
287.07574	2.4
291.07071	1.1
297.25858	1.1
305.08600	3.3
309.08203	1.4
311.27365	0.5
323.09830	2.1
356.48718	0.5
405.35214	2.2
407.36743	100.0
408.37128	2.6
425.37836	8.0
495.38446	3.6
601.40729	0.6
709.41797	0.6
753.39600	0.5
1016.54639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.5753
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	0.6
71.01339	0.7
71.04974	1.2
71.56369	0.2
71.56830	0.5
71.64581	0.2
73.02563	0.3
73.02918	3.7
77.03889	0.5
79.05074	0.5
79.05495	7.9
81.03416	2.0
81.07062	9.8
83.04950	0.7
83.08594	1.2
84.08138	0.2
85.02908	7.7
85.06538	0.5
85.97392	0.2
87.04454	0.4
91.03950	3.6
91.04967	0.4
91.05484	6.0
93.06483	0.6
93.07046	8.1
95.04946	1.0
95.08606	9.1
97.02895	6.8
97.06529	0.6
97.10143	0.7
99.04435	0.9
101.02367	1.6
102.34222	0.3
102.59193	0.2
103.05455	1.1
105.04489	0.5
105.07035	3.7
107.04994	0.2
107.08595	3.7
109.02874	0.7
109.06503	0.3
109.10163	4.0
111.04470	0.4
111.08038	0.3
115.03957	0.4
115.05457	0.8
117.07008	2.0
118.06521	0.9
119.04930	0.8
119.08583	2.4
121.06487	0.5
121.10132	3.4
123.04417	2.7
123.11706	1.0
127.03906	2.4
128.06189	1.0
129.07014	2.0
131.04941	2.4
131.08551	1.6
133.06485	0.7
133.10114	1.7
135.11716	2.0
137.05975	6.7
137.09654	0.4
141.06966	0.5
143.04898	0.6
143.08542	0.6
145.04961	1.1
145.06494	1.8
145.10114	1.1
146.06058	1.2
147.04419	2.1
147.08119	0.3
147.11699	1.3
149.04732	0.8
149.05959	4.9
149.09644	0.3
149.13254	0.9
149.38275	0.3
152.07051	0.3
153.07024	0.3
155.08571	0.9
157.06503	1.9
157.10124	0.5
159.08064	0.6
159.11737	1.0
161.05988	6.0
161.13263	0.8
162.05470	0.9
163.06360	0.4
163.07513	1.4
163.14874	0.4
164.07072	36.1
165.07227	0.4
166.08655	3.8
168.13794	0.5
169.06488	0.8
169.10181	0.3
171.08046	1.2
173.05988	12.5
173.13300	0.5
175.06039	0.6
175.07549	10.2
177.07761	0.4
177.09120	0.5
178.08617	0.4
179.08655	0.3
181.06462	0.3
183.08057	1.6
185.05984	0.3
185.09607	0.8
187.07538	4.4
187.14728	0.3
189.09109	1.8
189.16473	0.5
190.08664	0.5
195.08084	0.4
197.09654	0.6
199.07591	1.7
199.11285	0.4
201.09155	3.1
203.10707	0.5
213.09103	1.1
215.10718	0.6
217.19632	0.5
225.09274	0.3
239.10652	0.3
273.09750	0.5
283.16763	0.3
285.18631	0.7
299.16373	0.5
302.17621	0.4
303.29816	0.3
312.19757	0.4
313.17941	4.3
328.18979	0.4
330.20578	1.3
331.19250	0.4
335.25800	6.5
348.21661	0.8
360.21811	0.4
386.23627	0.3
404.24387	1.4
407.36743	0.9
408.37167	0.7
422.25519	1.4
635.87201	0.3
654.43317	0.3
682.46716	14.6
683.47174	0.6
698.46741	0.4
844.52039	26.5
845.52521	1.0
1006.57330	100.0
1007.57379	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	1006.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06587	0.3
71.01353	0.4
71.04971	0.6
71.56064	0.4
73.02916	3.7
74.06069	0.3
79.05076	0.3
79.05496	6.1
81.03424	1.6
81.07057	10.5
83.04973	0.6
83.08596	1.1
85.02430	0.5
85.02901	6.5
85.06526	0.6
87.90820	0.3
91.03957	4.0
91.05487	6.8
92.07081	0.3
93.06489	0.4
93.07048	8.2
95.04949	0.9
95.08607	8.6
97.02892	7.5
97.06502	1.1
97.10152	0.6
98.97577	2.7
99.04456	0.5
101.02383	1.5
103.05461	0.8
105.07029	3.1
107.08591	4.4
109.02861	0.7
109.06517	0.7
109.10155	3.8
110.97556	0.6
111.08092	0.3
115.03902	0.5
115.05425	1.1
116.98599	1.0
117.06989	1.9
118.06522	0.9
119.04918	0.9
119.08584	2.1
121.06489	0.7
121.10140	2.6
123.04425	2.8
123.11687	1.2
127.03919	2.5
128.06197	0.9
128.98572	0.7
129.07021	2.2
131.04926	2.1
131.08589	1.6
133.06477	0.6
133.10138	1.9
135.11700	2.2
137.05980	5.3
140.98607	0.3
141.06946	1.0
141.15012	0.2
143.04900	0.8
143.08537	0.8
145.04922	0.3
145.05449	0.3
145.06458	1.8
145.10133	1.0
146.06058	1.6
146.99644	0.4
147.04443	2.1
147.08025	0.5
147.11667	1.2
149.04771	0.8
149.05962	5.1
149.13254	0.8
151.07512	0.4
152.07152	0.3
153.06981	0.5
154.08630	0.3
155.04892	0.4
155.08578	1.1
157.06474	2.2
157.10138	0.6
158.99672	0.4
159.08092	0.5
159.11671	0.7
160.05193	0.6
161.01311	0.3
161.05983	6.7
161.13248	0.7
162.05492	0.8
162.06714	0.4
163.06308	0.6
163.07584	1.7
164.07069	37.0
165.07025	0.3
166.08647	4.0
167.08482	0.3
168.13834	0.6
169.06482	0.7
170.99699	0.5
171.08031	1.3
173.05991	14.1
173.09550	0.4
173.13283	0.7
175.07547	11.7
175.14685	0.3
176.07115	0.6
177.00734	0.3
177.07831	0.4
177.12721	0.5
181.06485	0.4
183.08124	1.6
185.09653	0.8
187.07545	4.6
189.05408	0.4
189.09142	2.5
194.15343	0.3
195.08025	0.7
197.09636	0.9
199.07578	1.8
200.08266	0.4
201.00726	0.4
201.09125	2.7
202.08527	0.4
203.10768	0.4
209.09624	0.5
213.09114	1.7
215.10767	0.8
217.12312	0.3
219.01775	3.1
221.09898	0.3
225.09106	0.5
227.10519	0.3
233.11795	0.4
237.02802	4.1
238.03177	0.4
239.10640	0.5
242.03383	0.5
260.04550	0.6
261.02979	0.8
275.16782	0.3
279.03732	1.7
280.04318	0.4
285.18610	0.3
295.16949	0.6
299.16406	0.4
302.05414	0.6
313.17960	5.0
315.19492	0.3
328.19022	0.4
330.20621	1.6
331.19177	0.5
335.02924	1.1
335.25858	4.6
348.21710	0.8
349.92682	0.3
360.21625	0.5
386.23492	0.8
404.24301	3.2
407.37195	0.3
422.25592	0.7
431.09299	0.3
682.46777	16.4
683.47150	0.5
844.52020	25.5
845.52625	0.6
886.43256	0.9
928.44891	1.8
946.45667	1.1
964.46448	2.4
988.55670	0.5
1006.57324	100.0
1007.57336	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	1002.5998
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04996	5.5
71.08631	5.0
73.02924	8.2
73.11121	3.3
77.10625	3.4
79.05500	95.3
79.05960	4.6
81.03419	14.5
81.07062	100.0
83.04995	11.3
83.08629	22.1
85.02918	16.3
85.06500	5.2
87.04504	3.2
91.03989	7.7
91.05489	99.0
93.07051	94.9
93.98207	3.4
95.04977	15.1
95.08612	65.0
95.96265	3.7
97.02906	9.8
97.06531	17.8
97.10193	18.0
99.08094	4.8
105.04541	5.7
105.07041	98.2
107.04999	8.2
107.08613	62.1
109.06503	5.0
109.10166	36.4
111.04450	3.1
111.08074	4.8
115.05489	8.1
117.07031	40.5
119.08588	71.6
120.87219	3.0
121.06550	5.8
121.10155	34.0
123.08047	5.6
123.11716	9.1
125.09647	10.6
125.85902	3.4
127.03899	6.2
128.06209	7.6
129.07004	25.2
130.07819	3.6
131.08592	54.3
133.06516	4.0
133.10135	61.3
135.08087	7.4
135.11697	24.9
141.07004	9.6
142.07768	4.9
143.08582	31.7
145.06477	4.3
145.10144	48.4
147.08096	5.2
147.11708	47.1
149.09589	13.1
149.13301	15.6
151.11212	5.9
155.08566	17.4
156.09308	4.0
157.10126	25.0
159.08089	3.3
159.11705	31.0
161.09607	5.4
161.13260	24.4
163.11203	11.2
163.14854	5.7
164.07048	6.4
167.08556	7.6
169.10138	17.7
171.11693	24.3
173.04472	4.9
173.11864	5.2
173.13269	24.5
175.11269	5.0
175.14839	9.2
177.12738	4.6
181.10144	10.7
183.11707	19.4
185.13268	19.5
187.11174	5.5
187.14813	6.8
189.11273	6.7
195.11693	12.9
197.13225	16.1
199.14850	13.5
201.16333	4.1
207.11766	7.4
209.13329	6.5
211.14795	7.6
213.16479	6.0
223.14859	6.1
227.12753	9.2
229.14253	5.3
237.16472	5.4
241.19609	16.1
243.21155	3.8
245.19200	3.2
255.15900	10.0
257.19034	9.3
259.20602	51.2
267.15997	5.9
269.17538	11.1
271.20587	6.9
273.18744	3.6
275.20087	26.8
309.22058	4.7
313.21722	4.2
315.23410	9.3
333.24243	51.6
335.25803	7.6
349.23724	30.8
367.25156	4.4
403.29758	3.6
421.31070	5.1
435.32748	7.9
439.32016	3.7
453.33954	7.3
463.79349	3.9
487.34012	4.5
501.35513	5.7
509.36230	9.5
513.35919	38.2
515.38159	9.7
525.35773	4.0
527.37482	61.6
533.39636	9.4
538.36438	4.0
545.38574	8.6
551.40857	5.9
607.43640	75.5
625.44617	87.8
653.40741	5.3
671.41364	4.1
689.42084	6.2
769.48468	7.8
1002.57635	9.7
END